smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)NCC(=O)NCC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050797271 482906548 /nfs/dbraw/zinc/90/65/48/482906548.db2.gz LEUDMEFHCFNQTD-UHFFFAOYSA-N 2 2 353.467 -1.087 20 0 FAADLP C[NH+](C)CC(=O)N1CCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000051760801 482888943 /nfs/dbraw/zinc/88/89/43/482888943.db2.gz MMZVZAYXYKCKMJ-UHFFFAOYSA-N 2 2 369.510 -1.081 20 0 FAADLP CC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCN(C(=O)C[NH+](C)C)CC2)CC1 ZINC000051763159 482871717 /nfs/dbraw/zinc/87/17/17/482871717.db2.gz QAVJFFAZWCVRDH-AWEZNQCLSA-N 2 2 353.467 -1.229 20 0 FAADLP CC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCN(C(=O)C[NH+](C)C)CC2)CC1 ZINC000051763160 482871741 /nfs/dbraw/zinc/87/17/41/482871741.db2.gz QAVJFFAZWCVRDH-CQSZACIVSA-N 2 2 353.467 -1.229 20 0 FAADLP C[NH+]1CCN(S(=O)(=O)N2CC[NH+](C[C@H](O)Cn3cccn3)CC2)CC1 ZINC000051768664 482937740 /nfs/dbraw/zinc/93/77/40/482937740.db2.gz NLCHMJYASGDVSX-HNNXBMFYSA-N 2 2 372.495 -1.646 20 0 FAADLP C[NH+]1CCN(S(=O)(=O)N2CC[NH+](C[C@@H](O)Cn3cccn3)CC2)CC1 ZINC000051768665 482938281 /nfs/dbraw/zinc/93/82/81/482938281.db2.gz NLCHMJYASGDVSX-OAHLLOKOSA-N 2 2 372.495 -1.646 20 0 FAADLP Cn1ccc(C[NH+]2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1=O ZINC000051768666 482889338 /nfs/dbraw/zinc/88/93/38/482889338.db2.gz GFMBFASPGKQAJO-UHFFFAOYSA-N 2 2 369.491 -1.005 20 0 FAADLP C[NH+]1CCN(S(=O)(=O)N2CC[NH+](CCC(=O)NC(N)=O)CC2)CC1 ZINC000062361384 483693033 /nfs/dbraw/zinc/69/30/33/483693033.db2.gz SGZFVBLNWIQOSH-UHFFFAOYSA-N 2 2 362.456 -2.319 20 0 FAADLP C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000067119438 483693611 /nfs/dbraw/zinc/69/36/11/483693611.db2.gz HJQHTBULSKNOBG-KBPBESRZSA-N 2 2 353.467 -1.195 20 0 FAADLP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000067119439 483693672 /nfs/dbraw/zinc/69/36/72/483693672.db2.gz HJQHTBULSKNOBG-KGLIPLIRSA-N 2 2 353.467 -1.195 20 0 FAADLP C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000067119440 483693515 /nfs/dbraw/zinc/69/35/15/483693515.db2.gz HJQHTBULSKNOBG-UONOGXRCSA-N 2 2 353.467 -1.195 20 0 FAADLP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000067119441 483693277 /nfs/dbraw/zinc/69/32/77/483693277.db2.gz HJQHTBULSKNOBG-ZIAGYGMSSA-N 2 2 353.467 -1.195 20 0 FAADLP C[N@H+]1CCN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)[C@H](C[NH3+])C1 ZINC000162349213 483310253 /nfs/dbraw/zinc/31/02/53/483310253.db2.gz IXNGPHDIXJHLKQ-MRVPVSSYSA-N 2 2 360.212 -1.600 20 0 FAADLP C[N@@H+]1CCN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)[C@H](C[NH3+])C1 ZINC000162349213 483310249 /nfs/dbraw/zinc/31/02/49/483310249.db2.gz IXNGPHDIXJHLKQ-MRVPVSSYSA-N 2 2 360.212 -1.600 20 0 FAADLP C[N@H+]1CCN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)[C@@H](C[NH3+])C1 ZINC000162349349 483309670 /nfs/dbraw/zinc/30/96/70/483309670.db2.gz IXNGPHDIXJHLKQ-QMMMGPOBSA-N 2 2 360.212 -1.600 20 0 FAADLP C[N@@H+]1CCN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)[C@@H](C[NH3+])C1 ZINC000162349349 483309666 /nfs/dbraw/zinc/30/96/66/483309666.db2.gz IXNGPHDIXJHLKQ-QMMMGPOBSA-N 2 2 360.212 -1.600 20 0 FAADLP CCn1c(N)c(C(=O)C[N@@H+](C)CCCN2CC[NH+](C)CC2)c(=O)[nH]c1=O ZINC000174718980 272805150 /nfs/dbraw/zinc/80/51/50/272805150.db2.gz FTKQNIIQJRVTPC-UHFFFAOYSA-N 2 2 366.466 -1.109 20 0 FAADLP CCn1c(N)c(C(=O)C[N@H+](C)CCCN2CC[NH+](C)CC2)c(=O)[nH]c1=O ZINC000174718980 272805149 /nfs/dbraw/zinc/80/51/49/272805149.db2.gz FTKQNIIQJRVTPC-UHFFFAOYSA-N 2 2 366.466 -1.109 20 0 FAADLP Cn1c(N)c(C(=O)C[N@@H+](C)CCCN2CC[NH+](C)CC2)c(=O)n(C)c1=O ZINC000174727711 482760813 /nfs/dbraw/zinc/76/08/13/482760813.db2.gz XBUAJROFFYBUNT-UHFFFAOYSA-N 2 2 366.466 -1.582 20 0 FAADLP Cn1c(N)c(C(=O)C[N@H+](C)CCCN2CC[NH+](C)CC2)c(=O)n(C)c1=O ZINC000174727711 482760807 /nfs/dbraw/zinc/76/08/07/482760807.db2.gz XBUAJROFFYBUNT-UHFFFAOYSA-N 2 2 366.466 -1.582 20 0 FAADLP C[NH+]1CCN(C(=O)CN2CCN(CC(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000175757604 483528498 /nfs/dbraw/zinc/52/84/98/483528498.db2.gz YPDXYAUOJJSAOT-UHFFFAOYSA-N 2 2 366.510 -1.848 20 0 FAADLP CCN(C(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1)[C@H]1CCS(=O)(=O)C1 ZINC000261755222 482620179 /nfs/dbraw/zinc/62/01/79/482620179.db2.gz VEZOONIHLQIFAH-KBPBESRZSA-N 2 2 374.507 -1.191 20 0 FAADLP CCN(C(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1)[C@H]1CCS(=O)(=O)C1 ZINC000261755222 482620174 /nfs/dbraw/zinc/62/01/74/482620174.db2.gz VEZOONIHLQIFAH-KBPBESRZSA-N 2 2 374.507 -1.191 20 0 FAADLP CCN(C(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1)[C@H]1CCS(=O)(=O)C1 ZINC000261755224 482619968 /nfs/dbraw/zinc/61/99/68/482619968.db2.gz VEZOONIHLQIFAH-KGLIPLIRSA-N 2 2 374.507 -1.191 20 0 FAADLP CCN(C(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1)[C@H]1CCS(=O)(=O)C1 ZINC000261755224 482619963 /nfs/dbraw/zinc/61/99/63/482619963.db2.gz VEZOONIHLQIFAH-KGLIPLIRSA-N 2 2 374.507 -1.191 20 0 FAADLP CCN(C(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000261755227 482619415 /nfs/dbraw/zinc/61/94/15/482619415.db2.gz VEZOONIHLQIFAH-UONOGXRCSA-N 2 2 374.507 -1.191 20 0 FAADLP CCN(C(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000261755227 482619407 /nfs/dbraw/zinc/61/94/07/482619407.db2.gz VEZOONIHLQIFAH-UONOGXRCSA-N 2 2 374.507 -1.191 20 0 FAADLP CCN(C(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000261755230 482619628 /nfs/dbraw/zinc/61/96/28/482619628.db2.gz VEZOONIHLQIFAH-ZIAGYGMSSA-N 2 2 374.507 -1.191 20 0 FAADLP CCN(C(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000261755230 482619623 /nfs/dbraw/zinc/61/96/23/482619623.db2.gz VEZOONIHLQIFAH-ZIAGYGMSSA-N 2 2 374.507 -1.191 20 0 FAADLP C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)C2([NH3+])CCOCC2)CC1 ZINC000261868062 483308612 /nfs/dbraw/zinc/30/86/12/483308612.db2.gz NSUBJTDIDYGAPU-AWEZNQCLSA-N 2 2 354.451 -1.114 20 0 FAADLP C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)C2([NH3+])CCOCC2)CC1 ZINC000261868064 483308106 /nfs/dbraw/zinc/30/81/06/483308106.db2.gz NSUBJTDIDYGAPU-CQSZACIVSA-N 2 2 354.451 -1.114 20 0 FAADLP O=C(CC[NH+]1CCN(S(=O)(=O)Cc2ccon2)CC1)N1CC[NH2+]CC1 ZINC000262028162 483308177 /nfs/dbraw/zinc/30/81/77/483308177.db2.gz GPXVRAFDYXSSGB-UHFFFAOYSA-N 2 2 371.463 -1.056 20 0 FAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)C3CC[NH2+]CC3)CC2)CC1 ZINC000262133070 483523461 /nfs/dbraw/zinc/52/34/61/483523461.db2.gz KSUQDWNWSZOMDL-UHFFFAOYSA-N 2 2 359.496 -1.378 20 0 FAADLP CC(C)C[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000262136730 483307719 /nfs/dbraw/zinc/30/77/19/483307719.db2.gz ODIOJSCBJNCTAW-AWEZNQCLSA-N 2 2 361.512 -1.004 20 0 FAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)C3([NH3+])CCCC3)CC2)CC1 ZINC000262144900 483522925 /nfs/dbraw/zinc/52/29/25/483522925.db2.gz MNGOZBHBCYNXEX-UHFFFAOYSA-N 2 2 359.496 -1.106 20 0 FAADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000262154435 272806553 /nfs/dbraw/zinc/80/65/53/272806553.db2.gz PLLLZEKZUZEWGR-DOMZBBRYSA-N 2 2 353.467 -1.103 20 0 FAADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000262154440 483308530 /nfs/dbraw/zinc/30/85/30/483308530.db2.gz PLLLZEKZUZEWGR-WFASDCNBSA-N 2 2 353.467 -1.103 20 0 FAADLP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000262154536 272806546 /nfs/dbraw/zinc/80/65/46/272806546.db2.gz ODQAFCMHGPTPQY-KBPBESRZSA-N 2 2 361.512 -1.004 20 0 FAADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000262154538 483524768 /nfs/dbraw/zinc/52/47/68/483524768.db2.gz ODQAFCMHGPTPQY-KGLIPLIRSA-N 2 2 361.512 -1.004 20 0 FAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)[C@H]3CSC[NH2+]3)CC2)CC1 ZINC000262165692 483524910 /nfs/dbraw/zinc/52/49/10/483524910.db2.gz PTBIQFSJIQPESK-GFCCVEGCSA-N 2 2 363.509 -1.715 20 0 FAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)[C@@H]3CSC[NH2+]3)CC2)CC1 ZINC000262165693 483525389 /nfs/dbraw/zinc/52/53/89/483525389.db2.gz PTBIQFSJIQPESK-LBPRGKRZSA-N 2 2 363.509 -1.715 20 0 FAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCC[NH2+]3)CC2)CC1 ZINC000262169388 483524148 /nfs/dbraw/zinc/52/41/48/483524148.db2.gz QFMSPUUEEIBYPU-AWEZNQCLSA-N 2 2 359.496 -1.235 20 0 FAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCC[NH2+]3)CC2)CC1 ZINC000262169390 483525079 /nfs/dbraw/zinc/52/50/79/483525079.db2.gz QFMSPUUEEIBYPU-CQSZACIVSA-N 2 2 359.496 -1.235 20 0 FAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000262200081 483526794 /nfs/dbraw/zinc/52/67/94/483526794.db2.gz VUZLNELRYQKTDF-CQSZACIVSA-N 2 2 359.496 -1.378 20 0 FAADLP C[C@@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C1C[NH2+]C1 ZINC000262219674 483310267 /nfs/dbraw/zinc/31/02/67/483310267.db2.gz PAKLYZJNXDAZCM-CYBMUJFWSA-N 2 2 359.496 -1.522 20 0 FAADLP C[C@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C1C[NH2+]C1 ZINC000262219677 483310074 /nfs/dbraw/zinc/31/00/74/483310074.db2.gz PAKLYZJNXDAZCM-ZDUSSCGKSA-N 2 2 359.496 -1.522 20 0 FAADLP [NH3+]CC(=O)NCC(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000262386424 482968282 /nfs/dbraw/zinc/96/82/82/482968282.db2.gz LKURVTRVKVBLNM-AWEZNQCLSA-N 2 2 350.419 -1.355 20 0 FAADLP [NH3+]CC(=O)NCC(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000262386427 482967762 /nfs/dbraw/zinc/96/77/62/482967762.db2.gz LKURVTRVKVBLNM-CQSZACIVSA-N 2 2 350.419 -1.355 20 0 FAADLP C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)CNC(=O)C[NH3+])c2)CC1 ZINC000262395393 483309653 /nfs/dbraw/zinc/30/96/53/483309653.db2.gz MXRQMJZLHUXNHD-UHFFFAOYSA-N 2 2 369.447 -1.364 20 0 FAADLP C[NH2+][C@@H](C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cnn(C)c1 ZINC000262398420 272806444 /nfs/dbraw/zinc/80/64/44/272806444.db2.gz PGBDRDLKILWKDQ-GDBMZVCRSA-N 2 2 364.450 -1.270 20 0 FAADLP C[NH2+][C@@H](C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cnn(C)c1 ZINC000262398425 482968814 /nfs/dbraw/zinc/96/88/14/482968814.db2.gz PGBDRDLKILWKDQ-GOEBONIOSA-N 2 2 364.450 -1.270 20 0 FAADLP C[NH2+][C@H](C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cnn(C)c1 ZINC000262398430 482967368 /nfs/dbraw/zinc/96/73/68/482967368.db2.gz PGBDRDLKILWKDQ-HOCLYGCPSA-N 2 2 364.450 -1.270 20 0 FAADLP C[NH2+][C@H](C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cnn(C)c1 ZINC000262398433 482967947 /nfs/dbraw/zinc/96/79/47/482967947.db2.gz PGBDRDLKILWKDQ-ZBFHGGJFSA-N 2 2 364.450 -1.270 20 0 FAADLP COCC[NH2+]CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000262606663 483554950 /nfs/dbraw/zinc/55/49/50/483554950.db2.gz BUTAEQAZIQEUAP-UHFFFAOYSA-N 2 2 363.484 -2.141 20 0 FAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)C[C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000262615576 483556645 /nfs/dbraw/zinc/55/66/45/483556645.db2.gz FWSWXQJCMJYDCS-AWEZNQCLSA-N 2 2 359.496 -1.235 20 0 FAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)C[C@H]3CCC[NH2+]3)CC2)CC1 ZINC000262615581 483557025 /nfs/dbraw/zinc/55/70/25/483557025.db2.gz FWSWXQJCMJYDCS-CQSZACIVSA-N 2 2 359.496 -1.235 20 0 FAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)[C@H]3C[NH2+]CCO3)CC2)CC1 ZINC000262615671 483556173 /nfs/dbraw/zinc/55/61/73/483556173.db2.gz GBFIVVRHQNPVQS-CYBMUJFWSA-N 2 2 361.468 -2.389 20 0 FAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[NH2+]CCO3)CC2)CC1 ZINC000262615674 483556087 /nfs/dbraw/zinc/55/60/87/483556087.db2.gz GBFIVVRHQNPVQS-ZDUSSCGKSA-N 2 2 361.468 -2.389 20 0 FAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)[C@H]3COCC[NH2+]3)CC2)CC1 ZINC000262630916 483557832 /nfs/dbraw/zinc/55/78/32/483557832.db2.gz MKIUBCVDSITDEK-CYBMUJFWSA-N 2 2 361.468 -2.389 20 0 FAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)[C@@H]3COCC[NH2+]3)CC2)CC1 ZINC000262630918 483558410 /nfs/dbraw/zinc/55/84/10/483558410.db2.gz MKIUBCVDSITDEK-ZDUSSCGKSA-N 2 2 361.468 -2.389 20 0 FAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC2)CC1 ZINC000262633535 483558604 /nfs/dbraw/zinc/55/86/04/483558604.db2.gz NNLQMFNQBLRBDI-CYBMUJFWSA-N 2 2 361.512 -1.004 20 0 FAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)C[NH2+]CC3CC3)CC2)CC1 ZINC000262661935 483563520 /nfs/dbraw/zinc/56/35/20/483563520.db2.gz ZTVAELKUZGJBFE-UHFFFAOYSA-N 2 2 359.496 -1.378 20 0 FAADLP COC1(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC[NH2+]CC1 ZINC000262669924 483563349 /nfs/dbraw/zinc/56/33/49/483563349.db2.gz NEBBHSGAMIWJPM-AWEZNQCLSA-N 2 2 354.451 -1.196 20 0 FAADLP COC1(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC[NH2+]CC1 ZINC000262669925 272807143 /nfs/dbraw/zinc/80/71/43/272807143.db2.gz NEBBHSGAMIWJPM-CQSZACIVSA-N 2 2 354.451 -1.196 20 0 FAADLP CO[C@@H](C[NH3+])CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000262762776 483571251 /nfs/dbraw/zinc/57/12/51/483571251.db2.gz ALEFVXTZZOOVCC-CYBMUJFWSA-N 2 2 363.484 -2.013 20 0 FAADLP CO[C@H](C[NH3+])CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000262762778 483570534 /nfs/dbraw/zinc/57/05/34/483570534.db2.gz ALEFVXTZZOOVCC-ZDUSSCGKSA-N 2 2 363.484 -2.013 20 0 FAADLP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1[nH]nc2c1C[NH2+]CC2 ZINC000262781341 483572515 /nfs/dbraw/zinc/57/25/15/483572515.db2.gz LBWZDMMKAWOBHW-GFCCVEGCSA-N 2 2 362.434 -1.282 20 0 FAADLP O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1[nH]nc2c1C[NH2+]CC2 ZINC000262781344 483572268 /nfs/dbraw/zinc/57/22/68/483572268.db2.gz LBWZDMMKAWOBHW-LBPRGKRZSA-N 2 2 362.434 -1.282 20 0 FAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)c3coc(C[NH3+])c3)CC2)CC1 ZINC000262785797 483571920 /nfs/dbraw/zinc/57/19/20/483571920.db2.gz MLLGAGKQRIHLAC-UHFFFAOYSA-N 2 2 371.463 -1.012 20 0 FAADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000263243203 483587959 /nfs/dbraw/zinc/58/79/59/483587959.db2.gz LWXYGORCEIXBHY-HNNXBMFYSA-N 2 2 363.466 -1.186 20 0 FAADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000263256462 483589796 /nfs/dbraw/zinc/58/97/96/483589796.db2.gz QVYLNGISUQHVGS-BBRMVZONSA-N 2 2 369.466 -1.865 20 0 FAADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000263256463 483589772 /nfs/dbraw/zinc/58/97/72/483589772.db2.gz QVYLNGISUQHVGS-CJNGLKHVSA-N 2 2 369.466 -1.865 20 0 FAADLP CN(CCCNC(=O)C[NH+]1CCN(c2[nH+]ccn2C)CC1)S(C)(=O)=O ZINC000266929056 482985423 /nfs/dbraw/zinc/98/54/23/482985423.db2.gz OFASKBXNDRFOKS-UHFFFAOYSA-N 2 2 372.495 -1.060 20 0 FAADLP Cn1cc[nH+]c1N1CC[NH+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000266964421 482985364 /nfs/dbraw/zinc/98/53/64/482985364.db2.gz XWXCHQRMCQRVEK-UHFFFAOYSA-N 2 2 372.433 -1.011 20 0 FAADLP Cn1cnc(S(=O)(=O)NCC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000268137705 482992904 /nfs/dbraw/zinc/99/29/04/482992904.db2.gz POUKIQFYLQBEDH-UHFFFAOYSA-N 2 2 372.495 -1.159 20 0 FAADLP NC(=O)C[C@@H]([NH3+])C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000269589231 483002333 /nfs/dbraw/zinc/00/23/33/483002333.db2.gz BYKUWTFWOXWAKV-DZGCQCFKSA-N 2 2 350.419 -1.227 20 0 FAADLP NC(=O)C[C@H]([NH3+])C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000269589234 483000862 /nfs/dbraw/zinc/00/08/62/483000862.db2.gz BYKUWTFWOXWAKV-HIFRSBDPSA-N 2 2 350.419 -1.227 20 0 FAADLP NC(=O)C[C@@H]([NH3+])C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000269589239 483000609 /nfs/dbraw/zinc/00/06/09/483000609.db2.gz BYKUWTFWOXWAKV-UKRRQHHQSA-N 2 2 350.419 -1.227 20 0 FAADLP NC(=O)C[C@H]([NH3+])C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000269589242 483001867 /nfs/dbraw/zinc/00/18/67/483001867.db2.gz BYKUWTFWOXWAKV-ZFWWWQNUSA-N 2 2 350.419 -1.227 20 0 FAADLP CN1CCN(c2cc(N3CCN(C(=O)C[NH+](C)C)CC3)nc[nH+]2)CC1=O ZINC000274705292 483022279 /nfs/dbraw/zinc/02/22/79/483022279.db2.gz AGYPNDTZPJPJIX-UHFFFAOYSA-N 2 2 361.450 -1.035 20 0 FAADLP CN1CCN(c2cc(N3CCN(C(=O)C[NH+](C)C)CC3)[nH+]cn2)CC1=O ZINC000274705292 483022275 /nfs/dbraw/zinc/02/22/75/483022275.db2.gz AGYPNDTZPJPJIX-UHFFFAOYSA-N 2 2 361.450 -1.035 20 0 FAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)c3c[nH+]ccc3N)CC2)CC1 ZINC000275846381 483029205 /nfs/dbraw/zinc/02/92/05/483029205.db2.gz WNTSXYLVWNFHFK-UHFFFAOYSA-N 2 2 368.463 -1.086 20 0 FAADLP Cc1[nH+]c[nH]c1CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000278682098 483039294 /nfs/dbraw/zinc/03/92/94/483039294.db2.gz QIRUDNPSMAWQGN-UHFFFAOYSA-N 2 2 370.479 -1.103 20 0 FAADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NCCn2cc[nH+]c2)CC1 ZINC000283215799 483050083 /nfs/dbraw/zinc/05/00/83/483050083.db2.gz ATLGWJKUVDXSSH-UHFFFAOYSA-N 2 2 350.423 -1.378 20 0 FAADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCn2cc[nH+]c2)CC1 ZINC000283276107 483050272 /nfs/dbraw/zinc/05/02/72/483050272.db2.gz GFFNTDDEMKTORI-AWEZNQCLSA-N 2 2 362.434 -1.236 20 0 FAADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCn2cc[nH+]c2)CC1 ZINC000283276107 483050264 /nfs/dbraw/zinc/05/02/64/483050264.db2.gz GFFNTDDEMKTORI-AWEZNQCLSA-N 2 2 362.434 -1.236 20 0 FAADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCn2cc[nH+]c2)CC1 ZINC000283276109 483050141 /nfs/dbraw/zinc/05/01/41/483050141.db2.gz GFFNTDDEMKTORI-CQSZACIVSA-N 2 2 362.434 -1.236 20 0 FAADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCn2cc[nH+]c2)CC1 ZINC000283276109 483050134 /nfs/dbraw/zinc/05/01/34/483050134.db2.gz GFFNTDDEMKTORI-CQSZACIVSA-N 2 2 362.434 -1.236 20 0 FAADLP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000283371903 483050682 /nfs/dbraw/zinc/05/06/82/483050682.db2.gz VNLJGCYBINEMTN-UHFFFAOYSA-N 2 2 350.423 -1.330 20 0 FAADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000283771767 483053368 /nfs/dbraw/zinc/05/33/68/483053368.db2.gz CYEAJZQRVDIGSS-CYBMUJFWSA-N 2 2 350.423 -1.332 20 0 FAADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000283771771 483052685 /nfs/dbraw/zinc/05/26/85/483052685.db2.gz CYEAJZQRVDIGSS-ZDUSSCGKSA-N 2 2 350.423 -1.332 20 0 FAADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000283863030 483052342 /nfs/dbraw/zinc/05/23/42/483052342.db2.gz HZTVTSMPPPHYQI-GFCCVEGCSA-N 2 2 352.439 -1.061 20 0 FAADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000283863037 483052439 /nfs/dbraw/zinc/05/24/39/483052439.db2.gz HZTVTSMPPPHYQI-LBPRGKRZSA-N 2 2 352.439 -1.061 20 0 FAADLP Cc1[nH+]ccn1CCCNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000284467659 483056021 /nfs/dbraw/zinc/05/60/21/483056021.db2.gz GLJPSPMEIUBUCA-UHFFFAOYSA-N 2 2 364.450 -1.022 20 0 FAADLP Cc1[nH+]ccn1CCNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000284554708 483056897 /nfs/dbraw/zinc/05/68/97/483056897.db2.gz MEVRNMQEPVZXKD-UHFFFAOYSA-N 2 2 350.423 -1.412 20 0 FAADLP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000286085294 483062990 /nfs/dbraw/zinc/06/29/90/483062990.db2.gz ZCZSWZMUMGLDRN-UHFFFAOYSA-N 2 2 364.450 -1.070 20 0 FAADLP Cn1cc[nH+]c1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000286732003 483067787 /nfs/dbraw/zinc/06/77/87/483067787.db2.gz FRDWLSWUCCROBH-CYBMUJFWSA-N 2 2 362.434 -1.199 20 0 FAADLP Cn1cc[nH+]c1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000286732003 483067781 /nfs/dbraw/zinc/06/77/81/483067781.db2.gz FRDWLSWUCCROBH-CYBMUJFWSA-N 2 2 362.434 -1.199 20 0 FAADLP Cn1cc[nH+]c1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000286732008 483067476 /nfs/dbraw/zinc/06/74/76/483067476.db2.gz FRDWLSWUCCROBH-ZDUSSCGKSA-N 2 2 362.434 -1.199 20 0 FAADLP Cn1cc[nH+]c1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000286732008 483067471 /nfs/dbraw/zinc/06/74/71/483067471.db2.gz FRDWLSWUCCROBH-ZDUSSCGKSA-N 2 2 362.434 -1.199 20 0 FAADLP COCC[NH+]1CCN(C(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)CC1 ZINC000286798176 483067439 /nfs/dbraw/zinc/06/74/39/483067439.db2.gz JWNZANPBNRKJQF-UHFFFAOYSA-N 2 2 352.439 -1.107 20 0 FAADLP CN(CCC[N@@H+](C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)CC[NH+](C)C ZINC000289387561 483075469 /nfs/dbraw/zinc/07/54/69/483075469.db2.gz JSKNJJZFCAXIJW-UHFFFAOYSA-N 2 2 368.482 -1.336 20 0 FAADLP CN(CCC[N@H+](C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)CC[NH+](C)C ZINC000289387561 483075464 /nfs/dbraw/zinc/07/54/64/483075464.db2.gz JSKNJJZFCAXIJW-UHFFFAOYSA-N 2 2 368.482 -1.336 20 0 FAADLP C[NH+]1CCN(C(=O)CC[NH+]2CCN(S(=O)(=O)c3cc[nH]n3)CC2)CC1 ZINC000289480937 483075302 /nfs/dbraw/zinc/07/53/02/483075302.db2.gz IKYLYAFOUZUAMD-UHFFFAOYSA-N 2 2 370.479 -1.120 20 0 FAADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCn3c[nH+]cc3C2)CC1 ZINC000297849986 483089313 /nfs/dbraw/zinc/08/93/13/483089313.db2.gz RYUNGWMPTDNMBB-HNNXBMFYSA-N 2 2 374.445 -1.010 20 0 FAADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCn3c[nH+]cc3C2)CC1 ZINC000297849986 483089305 /nfs/dbraw/zinc/08/93/05/483089305.db2.gz RYUNGWMPTDNMBB-HNNXBMFYSA-N 2 2 374.445 -1.010 20 0 FAADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCn3c[nH+]cc3C2)CC1 ZINC000297849989 483089807 /nfs/dbraw/zinc/08/98/07/483089807.db2.gz RYUNGWMPTDNMBB-OAHLLOKOSA-N 2 2 374.445 -1.010 20 0 FAADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCn3c[nH+]cc3C2)CC1 ZINC000297849989 483089802 /nfs/dbraw/zinc/08/98/02/483089802.db2.gz RYUNGWMPTDNMBB-OAHLLOKOSA-N 2 2 374.445 -1.010 20 0 FAADLP Cc1[nH+]ccn1CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000297988377 482711433 /nfs/dbraw/zinc/71/14/33/482711433.db2.gz YTAXVKXBONKQFU-UHFFFAOYSA-N 2 2 370.479 -1.172 20 0 FAADLP C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329150324 483147926 /nfs/dbraw/zinc/14/79/26/483147926.db2.gz RKRWCXQAWSKHBR-INIZCTEOSA-N 2 2 367.494 -1.375 20 0 FAADLP C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329150325 483147769 /nfs/dbraw/zinc/14/77/69/483147769.db2.gz RKRWCXQAWSKHBR-MRXNPFEDSA-N 2 2 367.494 -1.375 20 0 FAADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000329290648 483149026 /nfs/dbraw/zinc/14/90/26/483149026.db2.gz QNYQOCIMBDBQCQ-AWEZNQCLSA-N 2 2 359.496 -1.283 20 0 FAADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000329290648 483149014 /nfs/dbraw/zinc/14/90/14/483149014.db2.gz QNYQOCIMBDBQCQ-AWEZNQCLSA-N 2 2 359.496 -1.283 20 0 FAADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000329290651 483149475 /nfs/dbraw/zinc/14/94/75/483149475.db2.gz QNYQOCIMBDBQCQ-CQSZACIVSA-N 2 2 359.496 -1.283 20 0 FAADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000329290651 483149473 /nfs/dbraw/zinc/14/94/73/483149473.db2.gz QNYQOCIMBDBQCQ-CQSZACIVSA-N 2 2 359.496 -1.283 20 0 FAADLP CC(=O)N1CCN(C(=O)C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)CC1 ZINC000329319147 483150387 /nfs/dbraw/zinc/15/03/87/483150387.db2.gz 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354.451 -1.293 20 0 FAADLP C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000329695409 483156072 /nfs/dbraw/zinc/15/60/72/483156072.db2.gz BLQZQNAUXUQERF-RRFJBIMHSA-N 2 2 354.451 -1.293 20 0 FAADLP C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000329695409 483156068 /nfs/dbraw/zinc/15/60/68/483156068.db2.gz BLQZQNAUXUQERF-RRFJBIMHSA-N 2 2 354.451 -1.293 20 0 FAADLP C[C@H]1CN(C(=O)[C@H]2C[NH+](C)CCO2)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000329695409 483156065 /nfs/dbraw/zinc/15/60/65/483156065.db2.gz BLQZQNAUXUQERF-RRFJBIMHSA-N 2 2 354.451 -1.293 20 0 FAADLP C[C@H]1CN(C(=O)[C@H]2C[NH+](C)CCO2)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000329695409 483156062 /nfs/dbraw/zinc/15/60/62/483156062.db2.gz BLQZQNAUXUQERF-RRFJBIMHSA-N 2 2 354.451 -1.293 20 0 FAADLP C[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000329695410 483155346 /nfs/dbraw/zinc/15/53/46/483155346.db2.gz BLQZQNAUXUQERF-SOUVJXGZSA-N 2 2 354.451 -1.293 20 0 FAADLP 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CCN(C(=O)[C@@H]1C[NH+](C)CCO1)C1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000330094223 483159891 /nfs/dbraw/zinc/15/98/91/483159891.db2.gz SOQQLIMGLGHBBK-CABCVRRESA-N 2 2 354.451 -1.293 20 0 FAADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)C1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000330094223 483159888 /nfs/dbraw/zinc/15/98/88/483159888.db2.gz SOQQLIMGLGHBBK-CABCVRRESA-N 2 2 354.451 -1.293 20 0 FAADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000330094224 483159749 /nfs/dbraw/zinc/15/97/49/483159749.db2.gz SOQQLIMGLGHBBK-GJZGRUSLSA-N 2 2 354.451 -1.293 20 0 FAADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000330094224 483159746 /nfs/dbraw/zinc/15/97/46/483159746.db2.gz SOQQLIMGLGHBBK-GJZGRUSLSA-N 2 2 354.451 -1.293 20 0 FAADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)C1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000330094224 483159743 /nfs/dbraw/zinc/15/97/43/483159743.db2.gz SOQQLIMGLGHBBK-GJZGRUSLSA-N 2 2 354.451 -1.293 20 0 FAADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)C1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000330094224 483159740 /nfs/dbraw/zinc/15/97/40/483159740.db2.gz SOQQLIMGLGHBBK-GJZGRUSLSA-N 2 2 354.451 -1.293 20 0 FAADLP CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000330094225 483159093 /nfs/dbraw/zinc/15/90/93/483159093.db2.gz SOQQLIMGLGHBBK-HUUCEWRRSA-N 2 2 354.451 -1.293 20 0 FAADLP CCN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000330094225 483159088 /nfs/dbraw/zinc/15/90/88/483159088.db2.gz SOQQLIMGLGHBBK-HUUCEWRRSA-N 2 2 354.451 -1.293 20 0 FAADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)C1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000330094225 483159084 /nfs/dbraw/zinc/15/90/84/483159084.db2.gz SOQQLIMGLGHBBK-HUUCEWRRSA-N 2 2 354.451 -1.293 20 0 FAADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)C1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000330094225 483159081 /nfs/dbraw/zinc/15/90/81/483159081.db2.gz SOQQLIMGLGHBBK-HUUCEWRRSA-N 2 2 354.451 -1.293 20 0 FAADLP CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000330094226 483158992 /nfs/dbraw/zinc/15/89/92/483158992.db2.gz SOQQLIMGLGHBBK-LSDHHAIUSA-N 2 2 354.451 -1.293 20 0 FAADLP CCN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000330094226 483158987 /nfs/dbraw/zinc/15/89/87/483158987.db2.gz SOQQLIMGLGHBBK-LSDHHAIUSA-N 2 2 354.451 -1.293 20 0 FAADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)C1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000330094226 483158982 /nfs/dbraw/zinc/15/89/82/483158982.db2.gz SOQQLIMGLGHBBK-LSDHHAIUSA-N 2 2 354.451 -1.293 20 0 FAADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)C1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000330094226 483158975 /nfs/dbraw/zinc/15/89/75/483158975.db2.gz SOQQLIMGLGHBBK-LSDHHAIUSA-N 2 2 354.451 -1.293 20 0 FAADLP C[NH+]1CCO[C@@H](C(=O)N2CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC000330172929 483161402 /nfs/dbraw/zinc/16/14/02/483161402.db2.gz GWIVBNWBHVHHLF-GASCZTMLSA-N 2 2 354.451 -1.292 20 0 FAADLP C[NH+]1CCO[C@@H](C(=O)N2CCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)C1 ZINC000330172929 483161397 /nfs/dbraw/zinc/16/13/97/483161397.db2.gz GWIVBNWBHVHHLF-GASCZTMLSA-N 2 2 354.451 -1.292 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)N2CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC000330172929 483161393 /nfs/dbraw/zinc/16/13/93/483161393.db2.gz GWIVBNWBHVHHLF-GASCZTMLSA-N 2 2 354.451 -1.292 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)N2CCCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)C1 ZINC000330172929 483161387 /nfs/dbraw/zinc/16/13/87/483161387.db2.gz GWIVBNWBHVHHLF-GASCZTMLSA-N 2 2 354.451 -1.292 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)N2CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC000330172930 272828977 /nfs/dbraw/zinc/82/89/77/272828977.db2.gz GWIVBNWBHVHHLF-GJZGRUSLSA-N 2 2 354.451 -1.292 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)N2CCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)C1 ZINC000330172930 272828976 /nfs/dbraw/zinc/82/89/76/272828976.db2.gz GWIVBNWBHVHHLF-GJZGRUSLSA-N 2 2 354.451 -1.292 20 0 FAADLP C[NH+]1CCO[C@@H](C(=O)N2CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC000330172931 483160838 /nfs/dbraw/zinc/16/08/38/483160838.db2.gz GWIVBNWBHVHHLF-HUUCEWRRSA-N 2 2 354.451 -1.292 20 0 FAADLP C[NH+]1CCO[C@@H](C(=O)N2CCCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)C1 ZINC000330172931 483160830 /nfs/dbraw/zinc/16/08/30/483160830.db2.gz GWIVBNWBHVHHLF-HUUCEWRRSA-N 2 2 354.451 -1.292 20 0 FAADLP CC(=O)NCC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000330649255 483113013 /nfs/dbraw/zinc/11/30/13/483113013.db2.gz IXIMXQKGDVBQNM-UHFFFAOYSA-N 2 2 353.467 -1.181 20 0 FAADLP C[C@H](NC(=O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)C(=O)N(C)C ZINC000330753506 483114368 /nfs/dbraw/zinc/11/43/68/483114368.db2.gz JDKOYIIBDPRYQH-AWEZNQCLSA-N 2 2 356.467 -1.262 20 0 FAADLP C[C@@H](NC(=O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)C(=O)N(C)C ZINC000330753507 483114607 /nfs/dbraw/zinc/11/46/07/483114607.db2.gz JDKOYIIBDPRYQH-CQSZACIVSA-N 2 2 356.467 -1.262 20 0 FAADLP C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000331460968 483162411 /nfs/dbraw/zinc/16/24/11/483162411.db2.gz RXFCKLITLINTLI-HNNXBMFYSA-N 2 2 354.451 -1.244 20 0 FAADLP C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000331460968 483162402 /nfs/dbraw/zinc/16/24/02/483162402.db2.gz RXFCKLITLINTLI-HNNXBMFYSA-N 2 2 354.451 -1.244 20 0 FAADLP C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000331460970 483162973 /nfs/dbraw/zinc/16/29/73/483162973.db2.gz RXFCKLITLINTLI-OAHLLOKOSA-N 2 2 354.451 -1.244 20 0 FAADLP C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000331460970 483162969 /nfs/dbraw/zinc/16/29/69/483162969.db2.gz RXFCKLITLINTLI-OAHLLOKOSA-N 2 2 354.451 -1.244 20 0 FAADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000331485160 483164053 /nfs/dbraw/zinc/16/40/53/483164053.db2.gz WPYPGRFZRKBSPN-INIZCTEOSA-N 2 2 367.494 -1.328 20 0 FAADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000331485160 483164041 /nfs/dbraw/zinc/16/40/41/483164041.db2.gz WPYPGRFZRKBSPN-INIZCTEOSA-N 2 2 367.494 -1.328 20 0 FAADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000331485175 483163264 /nfs/dbraw/zinc/16/32/64/483163264.db2.gz WPYPGRFZRKBSPN-MRXNPFEDSA-N 2 2 367.494 -1.328 20 0 FAADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000331485175 483163254 /nfs/dbraw/zinc/16/32/54/483163254.db2.gz WPYPGRFZRKBSPN-MRXNPFEDSA-N 2 2 367.494 -1.328 20 0 FAADLP CN(CCCN(C)C(=O)[C@@H]1C[NH+](C)CCO1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000331496683 483162903 /nfs/dbraw/zinc/16/29/03/483162903.db2.gz PILWUYQXIYPTKE-GASCZTMLSA-N 2 2 356.467 -1.046 20 0 FAADLP CN(CCCN(C)C(=O)[C@@H]1C[NH+](C)CCO1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000331496683 483162897 /nfs/dbraw/zinc/16/28/97/483162897.db2.gz PILWUYQXIYPTKE-GASCZTMLSA-N 2 2 356.467 -1.046 20 0 FAADLP CN(CCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)[C@H]1C[NH+](C)CCO1 ZINC000331496683 483162889 /nfs/dbraw/zinc/16/28/89/483162889.db2.gz PILWUYQXIYPTKE-GASCZTMLSA-N 2 2 356.467 -1.046 20 0 FAADLP CN(CCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)[C@H]1C[NH+](C)CCO1 ZINC000331496683 483162881 /nfs/dbraw/zinc/16/28/81/483162881.db2.gz PILWUYQXIYPTKE-GASCZTMLSA-N 2 2 356.467 -1.046 20 0 FAADLP CN(CCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000331496684 483163109 /nfs/dbraw/zinc/16/31/09/483163109.db2.gz PILWUYQXIYPTKE-GJZGRUSLSA-N 2 2 356.467 -1.046 20 0 FAADLP CN(CCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000331496684 483163103 /nfs/dbraw/zinc/16/31/03/483163103.db2.gz PILWUYQXIYPTKE-GJZGRUSLSA-N 2 2 356.467 -1.046 20 0 FAADLP CN(CCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)[C@H]1C[NH+](C)CCO1 ZINC000331496685 483163403 /nfs/dbraw/zinc/16/34/03/483163403.db2.gz PILWUYQXIYPTKE-HUUCEWRRSA-N 2 2 356.467 -1.046 20 0 FAADLP CN(CCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1)C(=O)[C@H]1C[NH+](C)CCO1 ZINC000331496685 483163398 /nfs/dbraw/zinc/16/33/98/483163398.db2.gz PILWUYQXIYPTKE-HUUCEWRRSA-N 2 2 356.467 -1.046 20 0 FAADLP C[NH+]1CCN(C(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000331572025 483165593 /nfs/dbraw/zinc/16/55/93/483165593.db2.gz DJJCJCZBADQAIU-UHFFFAOYSA-N 2 2 351.451 -1.473 20 0 FAADLP CC[NH+]1CCN(C(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000331587038 483166349 /nfs/dbraw/zinc/16/63/49/483166349.db2.gz GONHEDQTHAONPW-UHFFFAOYSA-N 2 2 365.478 -1.083 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCO2)C[C@@H]1[NH+]1CCOCC1 ZINC000331611807 483166049 /nfs/dbraw/zinc/16/60/49/483166049.db2.gz KDABIWDLOPYNCC-ILXRZTDVSA-N 2 2 354.451 -1.388 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+](C)CCO2)C[C@@H]1[NH+]1CCOCC1 ZINC000331611807 483166041 /nfs/dbraw/zinc/16/60/41/483166041.db2.gz KDABIWDLOPYNCC-ILXRZTDVSA-N 2 2 354.451 -1.388 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1[NH+]1CCOCC1 ZINC000331611815 483164826 /nfs/dbraw/zinc/16/48/26/483164826.db2.gz KDABIWDLOPYNCC-KFWWJZLASA-N 2 2 354.451 -1.388 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCO2)C[C@@H]1[NH+]1CCOCC1 ZINC000331611815 483164819 /nfs/dbraw/zinc/16/48/19/483164819.db2.gz KDABIWDLOPYNCC-KFWWJZLASA-N 2 2 354.451 -1.388 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH+]1CCOCC1 ZINC000331611818 483166149 /nfs/dbraw/zinc/16/61/49/483166149.db2.gz KDABIWDLOPYNCC-QLFBSQMISA-N 2 2 354.451 -1.388 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH+]1CCOCC1 ZINC000331611818 483166145 /nfs/dbraw/zinc/16/61/45/483166145.db2.gz KDABIWDLOPYNCC-QLFBSQMISA-N 2 2 354.451 -1.388 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH+]1CCOCC1 ZINC000331611820 483165703 /nfs/dbraw/zinc/16/57/03/483165703.db2.gz KDABIWDLOPYNCC-RBSFLKMASA-N 2 2 354.451 -1.388 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH+]1CCOCC1 ZINC000331611820 483165696 /nfs/dbraw/zinc/16/56/96/483165696.db2.gz KDABIWDLOPYNCC-RBSFLKMASA-N 2 2 354.451 -1.388 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C[C@H]1[NH+]1CCOCC1 ZINC000331665766 483167418 /nfs/dbraw/zinc/16/74/18/483167418.db2.gz PHSPQYMBAFVGHM-BZUAXINKSA-N 2 2 367.494 -1.473 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C[C@H]1[NH+]1CCOCC1 ZINC000331665766 483167416 /nfs/dbraw/zinc/16/74/16/483167416.db2.gz PHSPQYMBAFVGHM-BZUAXINKSA-N 2 2 367.494 -1.473 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C[C@@H]1[NH+]1CCOCC1 ZINC000331665780 483168249 /nfs/dbraw/zinc/16/82/49/483168249.db2.gz PHSPQYMBAFVGHM-OAGGEKHMSA-N 2 2 367.494 -1.473 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C[C@@H]1[NH+]1CCOCC1 ZINC000331665780 483168245 /nfs/dbraw/zinc/16/82/45/483168245.db2.gz PHSPQYMBAFVGHM-OAGGEKHMSA-N 2 2 367.494 -1.473 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C[C@H]1[NH+]1CCOCC1 ZINC000331665784 483167278 /nfs/dbraw/zinc/16/72/78/483167278.db2.gz PHSPQYMBAFVGHM-OWCLPIDISA-N 2 2 367.494 -1.473 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)C[C@H]1[NH+]1CCOCC1 ZINC000331665784 483167273 /nfs/dbraw/zinc/16/72/73/483167273.db2.gz PHSPQYMBAFVGHM-OWCLPIDISA-N 2 2 367.494 -1.473 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C[C@@H]1[NH+]1CCOCC1 ZINC000331665789 483168114 /nfs/dbraw/zinc/16/81/14/483168114.db2.gz PHSPQYMBAFVGHM-PMPSAXMXSA-N 2 2 367.494 -1.473 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)C[C@@H]1[NH+]1CCOCC1 ZINC000331665789 483168108 /nfs/dbraw/zinc/16/81/08/483168108.db2.gz PHSPQYMBAFVGHM-PMPSAXMXSA-N 2 2 367.494 -1.473 20 0 FAADLP CC[C@H]1CN(C(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C[C@@H]1[NH+]1CCOCC1 ZINC000331739190 483168040 /nfs/dbraw/zinc/16/80/40/483168040.db2.gz WPOIOHULYPDTTR-AJNGGQMLSA-N 2 2 354.451 -1.653 20 0 FAADLP CC[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C[C@H]1[NH+]1CCOCC1 ZINC000331739197 483167213 /nfs/dbraw/zinc/16/72/13/483167213.db2.gz WPOIOHULYPDTTR-BARDWOONSA-N 2 2 354.451 -1.653 20 0 FAADLP CC[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C[C@@H]1[NH+]1CCOCC1 ZINC000331739199 483170745 /nfs/dbraw/zinc/17/07/45/483170745.db2.gz WPOIOHULYPDTTR-QPSCCSFWSA-N 2 2 354.451 -1.653 20 0 FAADLP CC[C@H]1CN(C(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C[C@H]1[NH+]1CCOCC1 ZINC000331739201 483170798 /nfs/dbraw/zinc/17/07/98/483170798.db2.gz WPOIOHULYPDTTR-XQLPTFJDSA-N 2 2 354.451 -1.653 20 0 FAADLP CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000331759620 483169617 /nfs/dbraw/zinc/16/96/17/483169617.db2.gz BBWYWXFCOVKUOX-HNNXBMFYSA-N 2 2 365.478 -1.179 20 0 FAADLP CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000331759622 483170031 /nfs/dbraw/zinc/17/00/31/483170031.db2.gz BBWYWXFCOVKUOX-OAHLLOKOSA-N 2 2 365.478 -1.179 20 0 FAADLP CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000331788006 483170082 /nfs/dbraw/zinc/17/00/82/483170082.db2.gz GGZWQSRWDJYCLN-AWEZNQCLSA-N 2 2 351.451 -1.427 20 0 FAADLP CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000331788007 483169973 /nfs/dbraw/zinc/16/99/73/483169973.db2.gz GGZWQSRWDJYCLN-CQSZACIVSA-N 2 2 351.451 -1.427 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C[C@H](C)[N@@H+]1C ZINC000331791902 483169590 /nfs/dbraw/zinc/16/95/90/483169590.db2.gz HCRSGQVLFIFXGO-QLFBSQMISA-N 2 2 365.478 -1.040 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C[C@H](C)[N@H+]1C ZINC000331791902 483169584 /nfs/dbraw/zinc/16/95/84/483169584.db2.gz HCRSGQVLFIFXGO-QLFBSQMISA-N 2 2 365.478 -1.040 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C[C@H](C)[N@@H+]1C ZINC000331791904 483170400 /nfs/dbraw/zinc/17/04/00/483170400.db2.gz HCRSGQVLFIFXGO-ZNMIVQPWSA-N 2 2 365.478 -1.040 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C[C@H](C)[N@H+]1C ZINC000331791904 483170393 /nfs/dbraw/zinc/17/03/93/483170393.db2.gz HCRSGQVLFIFXGO-ZNMIVQPWSA-N 2 2 365.478 -1.040 20 0 FAADLP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000331812682 483170056 /nfs/dbraw/zinc/17/00/56/483170056.db2.gz KOJVDOHIXSWOSW-HNNXBMFYSA-N 2 2 365.478 -1.038 20 0 FAADLP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000331812688 483169791 /nfs/dbraw/zinc/16/97/91/483169791.db2.gz KOJVDOHIXSWOSW-OAHLLOKOSA-N 2 2 365.478 -1.038 20 0 FAADLP C[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000331822804 483170832 /nfs/dbraw/zinc/17/08/32/483170832.db2.gz QIWUQAGCKHTVTL-AWEZNQCLSA-N 2 2 351.451 -1.569 20 0 FAADLP C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000331822826 483170354 /nfs/dbraw/zinc/17/03/54/483170354.db2.gz QIWUQAGCKHTVTL-CQSZACIVSA-N 2 2 351.451 -1.569 20 0 FAADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CCNC(=O)C3)CC2)CC1 ZINC000332042209 483173468 /nfs/dbraw/zinc/17/34/68/483173468.db2.gz JSYHNBCTXDNGMI-UHFFFAOYSA-N 2 2 351.451 -1.380 20 0 FAADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[NH+](C)CC2)CC1 ZINC000332448130 483178010 /nfs/dbraw/zinc/17/80/10/483178010.db2.gz LNFKVUMDZQOEEW-AWEZNQCLSA-N 2 2 351.451 -1.475 20 0 FAADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[NH+](C)CC2)CC1 ZINC000332448130 483178006 /nfs/dbraw/zinc/17/80/06/483178006.db2.gz LNFKVUMDZQOEEW-AWEZNQCLSA-N 2 2 351.451 -1.475 20 0 FAADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[NH+](C)CC2)CC1 ZINC000332448138 483176942 /nfs/dbraw/zinc/17/69/42/483176942.db2.gz LNFKVUMDZQOEEW-CQSZACIVSA-N 2 2 351.451 -1.475 20 0 FAADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[NH+](C)CC2)CC1 ZINC000332448138 483176930 /nfs/dbraw/zinc/17/69/30/483176930.db2.gz LNFKVUMDZQOEEW-CQSZACIVSA-N 2 2 351.451 -1.475 20 0 FAADLP CC[NH+]1CCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000332493759 483177650 /nfs/dbraw/zinc/17/76/50/483177650.db2.gz VVZTTWFUTAQIMK-HNNXBMFYSA-N 2 2 365.478 -1.085 20 0 FAADLP CC[NH+]1CCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000332493759 483177642 /nfs/dbraw/zinc/17/76/42/483177642.db2.gz VVZTTWFUTAQIMK-HNNXBMFYSA-N 2 2 365.478 -1.085 20 0 FAADLP CC[NH+]1CCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000332493761 483176890 /nfs/dbraw/zinc/17/68/90/483176890.db2.gz VVZTTWFUTAQIMK-OAHLLOKOSA-N 2 2 365.478 -1.085 20 0 FAADLP CC[NH+]1CCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000332493761 483176884 /nfs/dbraw/zinc/17/68/84/483176884.db2.gz VVZTTWFUTAQIMK-OAHLLOKOSA-N 2 2 365.478 -1.085 20 0 FAADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)C(=O)N3CC[NH+](CC(C)(C)O)CC3)C[C@@H]21 ZINC000332617297 272835155 /nfs/dbraw/zinc/83/51/55/272835155.db2.gz QZWXYTVLXJBOSZ-LSDHHAIUSA-N 2 2 368.478 -1.167 20 0 FAADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)C(=O)N3CC[NH+](CC(C)(C)O)CC3)C[C@@H]21 ZINC000332617297 272835154 /nfs/dbraw/zinc/83/51/54/272835154.db2.gz QZWXYTVLXJBOSZ-LSDHHAIUSA-N 2 2 368.478 -1.167 20 0 FAADLP CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)CC1 ZINC000332632609 483179651 /nfs/dbraw/zinc/17/96/51/483179651.db2.gz UCSAZRMIZNILHW-HRCADAONSA-N 2 2 368.478 -1.167 20 0 FAADLP CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)CC1 ZINC000332632609 483179645 /nfs/dbraw/zinc/17/96/45/483179645.db2.gz UCSAZRMIZNILHW-HRCADAONSA-N 2 2 368.478 -1.167 20 0 FAADLP CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)CC1 ZINC000332632611 483180602 /nfs/dbraw/zinc/18/06/02/483180602.db2.gz UCSAZRMIZNILHW-OWCLPIDISA-N 2 2 368.478 -1.167 20 0 FAADLP CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)CC1 ZINC000332632611 483180594 /nfs/dbraw/zinc/18/05/94/483180594.db2.gz UCSAZRMIZNILHW-OWCLPIDISA-N 2 2 368.478 -1.167 20 0 FAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)C[C@H]1C ZINC000332634340 483180210 /nfs/dbraw/zinc/18/02/10/483180210.db2.gz UMWKRKMVFZGOED-FXUDXRNXSA-N 2 2 368.478 -1.169 20 0 FAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)C[C@H]1C ZINC000332634340 483180205 /nfs/dbraw/zinc/18/02/05/483180205.db2.gz UMWKRKMVFZGOED-FXUDXRNXSA-N 2 2 368.478 -1.169 20 0 FAADLP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CC[C@H]3OCC[NH+](C)[C@H]3C2)C[C@H]1C ZINC000332634340 483180202 /nfs/dbraw/zinc/18/02/02/483180202.db2.gz UMWKRKMVFZGOED-FXUDXRNXSA-N 2 2 368.478 -1.169 20 0 FAADLP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@H]3OCC[NH+](C)[C@H]3C2)C[C@H]1C ZINC000332634340 483180197 /nfs/dbraw/zinc/18/01/97/483180197.db2.gz UMWKRKMVFZGOED-FXUDXRNXSA-N 2 2 368.478 -1.169 20 0 FAADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)C[C@H]1C ZINC000332634341 483180683 /nfs/dbraw/zinc/18/06/83/483180683.db2.gz UMWKRKMVFZGOED-LVQVYYBASA-N 2 2 368.478 -1.169 20 0 FAADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)C[C@H]1C ZINC000332634341 483180677 /nfs/dbraw/zinc/18/06/77/483180677.db2.gz UMWKRKMVFZGOED-LVQVYYBASA-N 2 2 368.478 -1.169 20 0 FAADLP C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CC[C@H]3OCC[NH+](C)[C@H]3C2)C[C@H]1C ZINC000332634341 483180669 /nfs/dbraw/zinc/18/06/69/483180669.db2.gz UMWKRKMVFZGOED-LVQVYYBASA-N 2 2 368.478 -1.169 20 0 FAADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@H]3OCC[NH+](C)[C@H]3C2)C[C@H]1C ZINC000332634341 483180662 /nfs/dbraw/zinc/18/06/62/483180662.db2.gz UMWKRKMVFZGOED-LVQVYYBASA-N 2 2 368.478 -1.169 20 0 FAADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)C[C@@H]1C ZINC000332634342 483180003 /nfs/dbraw/zinc/18/00/03/483180003.db2.gz UMWKRKMVFZGOED-XUWVNRHRSA-N 2 2 368.478 -1.169 20 0 FAADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)C[C@@H]1C ZINC000332634342 483179999 /nfs/dbraw/zinc/17/99/99/483179999.db2.gz UMWKRKMVFZGOED-XUWVNRHRSA-N 2 2 368.478 -1.169 20 0 FAADLP C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CC[C@H]3OCC[NH+](C)[C@H]3C2)C[C@@H]1C ZINC000332634342 483179995 /nfs/dbraw/zinc/17/99/95/483179995.db2.gz UMWKRKMVFZGOED-XUWVNRHRSA-N 2 2 368.478 -1.169 20 0 FAADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@H]3OCC[NH+](C)[C@H]3C2)C[C@@H]1C ZINC000332634342 483179989 /nfs/dbraw/zinc/17/99/89/483179989.db2.gz UMWKRKMVFZGOED-XUWVNRHRSA-N 2 2 368.478 -1.169 20 0 FAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)C[C@@H]1C ZINC000332634343 483179212 /nfs/dbraw/zinc/17/92/12/483179212.db2.gz UMWKRKMVFZGOED-YHUYYLMFSA-N 2 2 368.478 -1.169 20 0 FAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)C[C@@H]1C ZINC000332634343 483179206 /nfs/dbraw/zinc/17/92/06/483179206.db2.gz UMWKRKMVFZGOED-YHUYYLMFSA-N 2 2 368.478 -1.169 20 0 FAADLP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CC[C@H]3OCC[NH+](C)[C@H]3C2)C[C@@H]1C ZINC000332634343 483179202 /nfs/dbraw/zinc/17/92/02/483179202.db2.gz UMWKRKMVFZGOED-YHUYYLMFSA-N 2 2 368.478 -1.169 20 0 FAADLP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@H]3OCC[NH+](C)[C@H]3C2)C[C@@H]1C ZINC000332634343 483179198 /nfs/dbraw/zinc/17/91/98/483179198.db2.gz UMWKRKMVFZGOED-YHUYYLMFSA-N 2 2 368.478 -1.169 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C[NH+](C)C)C2)C[C@H]1[NH+]1CCOCC1 ZINC000332675113 483182009 /nfs/dbraw/zinc/18/20/09/483182009.db2.gz QISZCVLTVYYOSN-BZUAXINKSA-N 2 2 368.478 -1.046 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C[NH+](C)C)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000332675128 272835723 /nfs/dbraw/zinc/83/57/23/272835723.db2.gz QISZCVLTVYYOSN-OAGGEKHMSA-N 2 2 368.478 -1.046 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C[NH+](C)C)C2)C[C@H]1[NH+]1CCOCC1 ZINC000332675131 483182656 /nfs/dbraw/zinc/18/26/56/483182656.db2.gz QISZCVLTVYYOSN-OWCLPIDISA-N 2 2 368.478 -1.046 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C[NH+](C)C)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000332675133 483182495 /nfs/dbraw/zinc/18/24/95/483182495.db2.gz QISZCVLTVYYOSN-PMPSAXMXSA-N 2 2 368.478 -1.046 20 0 FAADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000332680259 483182431 /nfs/dbraw/zinc/18/24/31/483182431.db2.gz UNHBUWPZTMPNLC-HNNXBMFYSA-N 2 2 365.478 -1.085 20 0 FAADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000332680259 483182424 /nfs/dbraw/zinc/18/24/24/483182424.db2.gz UNHBUWPZTMPNLC-HNNXBMFYSA-N 2 2 365.478 -1.085 20 0 FAADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000332680265 483181478 /nfs/dbraw/zinc/18/14/78/483181478.db2.gz UNHBUWPZTMPNLC-OAHLLOKOSA-N 2 2 365.478 -1.085 20 0 FAADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000332680265 483181472 /nfs/dbraw/zinc/18/14/72/483181472.db2.gz UNHBUWPZTMPNLC-OAHLLOKOSA-N 2 2 365.478 -1.085 20 0 FAADLP C[NH+]1CCO[C@@H](C(=O)NCC2(NC(=O)[C@@H]3C[N@@H+](C)CCO3)CCC2)C1 ZINC000332795635 482732434 /nfs/dbraw/zinc/73/24/34/482732434.db2.gz DNCSCXUCQJPAMA-KGLIPLIRSA-N 2 2 354.451 -1.197 20 0 FAADLP C[NH+]1CCO[C@@H](C(=O)NCC2(NC(=O)[C@@H]3C[N@H+](C)CCO3)CCC2)C1 ZINC000332795635 482732431 /nfs/dbraw/zinc/73/24/31/482732431.db2.gz DNCSCXUCQJPAMA-KGLIPLIRSA-N 2 2 354.451 -1.197 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)NC2(CNC(=O)[C@H]3C[N@@H+](C)CCO3)CCC2)C1 ZINC000332795635 482732430 /nfs/dbraw/zinc/73/24/30/482732430.db2.gz DNCSCXUCQJPAMA-KGLIPLIRSA-N 2 2 354.451 -1.197 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)NC2(CNC(=O)[C@H]3C[N@H+](C)CCO3)CCC2)C1 ZINC000332795635 482732427 /nfs/dbraw/zinc/73/24/27/482732427.db2.gz DNCSCXUCQJPAMA-KGLIPLIRSA-N 2 2 354.451 -1.197 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)NCC2(NC(=O)[C@H]3C[N@@H+](C)CCO3)CCC2)C1 ZINC000332795636 482732592 /nfs/dbraw/zinc/73/25/92/482732592.db2.gz DNCSCXUCQJPAMA-UONOGXRCSA-N 2 2 354.451 -1.197 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)NCC2(NC(=O)[C@H]3C[N@H+](C)CCO3)CCC2)C1 ZINC000332795636 482732588 /nfs/dbraw/zinc/73/25/88/482732588.db2.gz DNCSCXUCQJPAMA-UONOGXRCSA-N 2 2 354.451 -1.197 20 0 FAADLP C[NH+]1CCO[C@@H](C(=O)NC2(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)CCC2)C1 ZINC000332795636 482732587 /nfs/dbraw/zinc/73/25/87/482732587.db2.gz DNCSCXUCQJPAMA-UONOGXRCSA-N 2 2 354.451 -1.197 20 0 FAADLP C[NH+]1CCO[C@@H](C(=O)NC2(CNC(=O)[C@@H]3C[N@H+](C)CCO3)CCC2)C1 ZINC000332795636 482732582 /nfs/dbraw/zinc/73/25/82/482732582.db2.gz DNCSCXUCQJPAMA-UONOGXRCSA-N 2 2 354.451 -1.197 20 0 FAADLP C[NH+]1CCO[C@@H](C(=O)NCC2(NC(=O)[C@H]3C[N@@H+](C)CCO3)CCC2)C1 ZINC000332795637 482733158 /nfs/dbraw/zinc/73/31/58/482733158.db2.gz DNCSCXUCQJPAMA-ZIAGYGMSSA-N 2 2 354.451 -1.197 20 0 FAADLP C[NH+]1CCO[C@@H](C(=O)NCC2(NC(=O)[C@H]3C[N@H+](C)CCO3)CCC2)C1 ZINC000332795637 482733155 /nfs/dbraw/zinc/73/31/55/482733155.db2.gz DNCSCXUCQJPAMA-ZIAGYGMSSA-N 2 2 354.451 -1.197 20 0 FAADLP C[NH+]1CCO[C@@H](C(=O)NC2(CNC(=O)[C@H]3C[N@@H+](C)CCO3)CCC2)C1 ZINC000332795637 482733149 /nfs/dbraw/zinc/73/31/49/482733149.db2.gz DNCSCXUCQJPAMA-ZIAGYGMSSA-N 2 2 354.451 -1.197 20 0 FAADLP C[NH+]1CCO[C@@H](C(=O)NC2(CNC(=O)[C@H]3C[N@H+](C)CCO3)CCC2)C1 ZINC000332795637 482733144 /nfs/dbraw/zinc/73/31/44/482733144.db2.gz DNCSCXUCQJPAMA-ZIAGYGMSSA-N 2 2 354.451 -1.197 20 0 FAADLP C[C@@H](C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[NH+](C)CC1 ZINC000332886667 483285425 /nfs/dbraw/zinc/28/54/25/483285425.db2.gz QFIRPTUWGQKXLT-HOTGVXAUSA-N 2 2 367.494 -1.328 20 0 FAADLP C[C@@H](C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[NH+](C)CC1 ZINC000332886668 483285123 /nfs/dbraw/zinc/28/51/23/483285123.db2.gz QFIRPTUWGQKXLT-JKSUJKDBSA-N 2 2 367.494 -1.328 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)NC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C2CC2)C1 ZINC000332912793 482734860 /nfs/dbraw/zinc/73/48/60/482734860.db2.gz MVZWCBCKUXXEOB-ILXRZTDVSA-N 2 2 354.451 -1.341 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)NC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C2CC2)C1 ZINC000332912793 482734855 /nfs/dbraw/zinc/73/48/55/482734855.db2.gz MVZWCBCKUXXEOB-ILXRZTDVSA-N 2 2 354.451 -1.341 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)N[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C2CC2)C1 ZINC000332912793 482734848 /nfs/dbraw/zinc/73/48/48/482734848.db2.gz MVZWCBCKUXXEOB-ILXRZTDVSA-N 2 2 354.451 -1.341 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)N[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C2CC2)C1 ZINC000332912793 482734841 /nfs/dbraw/zinc/73/48/41/482734841.db2.gz MVZWCBCKUXXEOB-ILXRZTDVSA-N 2 2 354.451 -1.341 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)NC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C2CC2)C1 ZINC000332912794 482734926 /nfs/dbraw/zinc/73/49/26/482734926.db2.gz MVZWCBCKUXXEOB-QLFBSQMISA-N 2 2 354.451 -1.341 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)NC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C2CC2)C1 ZINC000332912794 482734922 /nfs/dbraw/zinc/73/49/22/482734922.db2.gz MVZWCBCKUXXEOB-QLFBSQMISA-N 2 2 354.451 -1.341 20 0 FAADLP C[NH+]1CCO[C@@H](C(=O)N[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C2CC2)C1 ZINC000332912794 482734915 /nfs/dbraw/zinc/73/49/15/482734915.db2.gz MVZWCBCKUXXEOB-QLFBSQMISA-N 2 2 354.451 -1.341 20 0 FAADLP C[NH+]1CCO[C@@H](C(=O)N[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C2CC2)C1 ZINC000332912794 482734905 /nfs/dbraw/zinc/73/49/05/482734905.db2.gz MVZWCBCKUXXEOB-QLFBSQMISA-N 2 2 354.451 -1.341 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)NC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C2CC2)C1 ZINC000332912795 482734091 /nfs/dbraw/zinc/73/40/91/482734091.db2.gz MVZWCBCKUXXEOB-SOUVJXGZSA-N 2 2 354.451 -1.341 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)NC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C2CC2)C1 ZINC000332912795 482734087 /nfs/dbraw/zinc/73/40/87/482734087.db2.gz MVZWCBCKUXXEOB-SOUVJXGZSA-N 2 2 354.451 -1.341 20 0 FAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C2CC2)C1 ZINC000332912795 482734084 /nfs/dbraw/zinc/73/40/84/482734084.db2.gz MVZWCBCKUXXEOB-SOUVJXGZSA-N 2 2 354.451 -1.341 20 0 FAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C2CC2)C1 ZINC000332912795 482734081 /nfs/dbraw/zinc/73/40/81/482734081.db2.gz MVZWCBCKUXXEOB-SOUVJXGZSA-N 2 2 354.451 -1.341 20 0 FAADLP C[NH+]1CCO[C@@H](C(=O)NCC(C)(C)CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000332917039 482734814 /nfs/dbraw/zinc/73/48/14/482734814.db2.gz XFFHNWCJBMYYQV-ZIAGYGMSSA-N 2 2 356.467 -1.094 20 0 FAADLP C[NH+]1CCO[C@@H](C(=O)NCC(C)(C)CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000332917039 482734807 /nfs/dbraw/zinc/73/48/07/482734807.db2.gz XFFHNWCJBMYYQV-ZIAGYGMSSA-N 2 2 356.467 -1.094 20 0 FAADLP CC(C)[C@H](CNC(=O)[C@H]1C[NH+](C)CCO1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000332928020 482735302 /nfs/dbraw/zinc/73/53/02/482735302.db2.gz LSAWSKGOOKTNLC-RRFJBIMHSA-N 2 2 356.467 -1.095 20 0 FAADLP CC(C)[C@H](CNC(=O)[C@H]1C[NH+](C)CCO1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000332928020 482735296 /nfs/dbraw/zinc/73/52/96/482735296.db2.gz LSAWSKGOOKTNLC-RRFJBIMHSA-N 2 2 356.467 -1.095 20 0 FAADLP CC(C)[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)[C@H]1C[NH+](C)CCO1 ZINC000332928020 482735292 /nfs/dbraw/zinc/73/52/92/482735292.db2.gz LSAWSKGOOKTNLC-RRFJBIMHSA-N 2 2 356.467 -1.095 20 0 FAADLP CC(C)[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)[C@H]1C[NH+](C)CCO1 ZINC000332928020 482735288 /nfs/dbraw/zinc/73/52/88/482735288.db2.gz LSAWSKGOOKTNLC-RRFJBIMHSA-N 2 2 356.467 -1.095 20 0 FAADLP CC(C)[C@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000332928021 482733795 /nfs/dbraw/zinc/73/37/95/482733795.db2.gz LSAWSKGOOKTNLC-SOUVJXGZSA-N 2 2 356.467 -1.095 20 0 FAADLP CC(C)[C@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000332928021 482733791 /nfs/dbraw/zinc/73/37/91/482733791.db2.gz LSAWSKGOOKTNLC-SOUVJXGZSA-N 2 2 356.467 -1.095 20 0 FAADLP CC(C)[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)[C@H]1C[NH+](C)CCO1 ZINC000332928021 482733786 /nfs/dbraw/zinc/73/37/86/482733786.db2.gz LSAWSKGOOKTNLC-SOUVJXGZSA-N 2 2 356.467 -1.095 20 0 FAADLP CC(C)[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)[C@H]1C[NH+](C)CCO1 ZINC000332928021 482733781 /nfs/dbraw/zinc/73/37/81/482733781.db2.gz LSAWSKGOOKTNLC-SOUVJXGZSA-N 2 2 356.467 -1.095 20 0 FAADLP CC(C)[C@H](CNC(=O)[C@H]1C[NH+](C)CCO1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000332928022 482733865 /nfs/dbraw/zinc/73/38/65/482733865.db2.gz LSAWSKGOOKTNLC-ZNMIVQPWSA-N 2 2 356.467 -1.095 20 0 FAADLP CC(C)[C@H](CNC(=O)[C@H]1C[NH+](C)CCO1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000332928022 482733862 /nfs/dbraw/zinc/73/38/62/482733862.db2.gz LSAWSKGOOKTNLC-ZNMIVQPWSA-N 2 2 356.467 -1.095 20 0 FAADLP CC(C)[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000332928022 482733857 /nfs/dbraw/zinc/73/38/57/482733857.db2.gz LSAWSKGOOKTNLC-ZNMIVQPWSA-N 2 2 356.467 -1.095 20 0 FAADLP CC(C)[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000332928022 482733852 /nfs/dbraw/zinc/73/38/52/482733852.db2.gz LSAWSKGOOKTNLC-ZNMIVQPWSA-N 2 2 356.467 -1.095 20 0 FAADLP O=C(NCC[NH+]1CCOCC1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333114498 483181389 /nfs/dbraw/zinc/18/13/89/483181389.db2.gz FOQMFYFRIKCMFO-UHFFFAOYSA-N 2 2 361.468 -2.053 20 0 FAADLP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[NH+](CCO)CC1 ZINC000333168038 483184114 /nfs/dbraw/zinc/18/41/14/483184114.db2.gz JQRQMFNQWVFXDV-INIZCTEOSA-N 2 2 368.478 -1.164 20 0 FAADLP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CC[NH+](CCO)CC1 ZINC000333168045 483183942 /nfs/dbraw/zinc/18/39/42/483183942.db2.gz JQRQMFNQWVFXDV-MRXNPFEDSA-N 2 2 368.478 -1.164 20 0 FAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)CC3(C[NH3+])CC3)CC2)CC1 ZINC000333277030 483184407 /nfs/dbraw/zinc/18/44/07/483184407.db2.gz LQLDJSIMVVERRM-UHFFFAOYSA-N 2 2 359.496 -1.248 20 0 FAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)[C@@H]([NH3+])C3CCC3)CC2)CC1 ZINC000333315565 483184087 /nfs/dbraw/zinc/18/40/87/483184087.db2.gz SSMLWBZIIDDNBD-AWEZNQCLSA-N 2 2 359.496 -1.250 20 0 FAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)[C@H]([NH3+])C3CCC3)CC2)CC1 ZINC000333315567 483183965 /nfs/dbraw/zinc/18/39/65/483183965.db2.gz SSMLWBZIIDDNBD-CQSZACIVSA-N 2 2 359.496 -1.250 20 0 FAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000333498324 482562135 /nfs/dbraw/zinc/56/21/35/482562135.db2.gz FDBALAWKIFACCT-CYBMUJFWSA-N 2 2 360.484 -1.832 20 0 FAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)N[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000333498325 483185832 /nfs/dbraw/zinc/18/58/32/483185832.db2.gz FDBALAWKIFACCT-ZDUSSCGKSA-N 2 2 360.484 -1.832 20 0 FAADLP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000333518149 483185464 /nfs/dbraw/zinc/18/54/64/483185464.db2.gz GLJDYUBERPVKFG-ZIAGYGMSSA-N 2 2 359.496 -1.522 20 0 FAADLP C[N@H+]1CCO[C@H](CNC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000333605474 483185415 /nfs/dbraw/zinc/18/54/15/483185415.db2.gz PZBNRMMDMBDJAR-GFCCVEGCSA-N 2 2 361.468 -2.054 20 0 FAADLP C[N@@H+]1CCO[C@H](CNC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000333605474 483185409 /nfs/dbraw/zinc/18/54/09/483185409.db2.gz PZBNRMMDMBDJAR-GFCCVEGCSA-N 2 2 361.468 -2.054 20 0 FAADLP C[N@H+]1CCO[C@@H](CNC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000333605475 483185883 /nfs/dbraw/zinc/18/58/83/483185883.db2.gz PZBNRMMDMBDJAR-LBPRGKRZSA-N 2 2 361.468 -2.054 20 0 FAADLP C[N@@H+]1CCO[C@@H](CNC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000333605475 483185881 /nfs/dbraw/zinc/18/58/81/483185881.db2.gz PZBNRMMDMBDJAR-LBPRGKRZSA-N 2 2 361.468 -2.054 20 0 FAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)NCC3([NH3+])CCC3)CC2)CC1 ZINC000333729777 483185679 /nfs/dbraw/zinc/18/56/79/483185679.db2.gz VYGVESPEVBJUSO-UHFFFAOYSA-N 2 2 374.511 -1.313 20 0 FAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)N[C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000333735676 483186798 /nfs/dbraw/zinc/18/67/98/483186798.db2.gz WWSUPLIGGFRSNY-AWEZNQCLSA-N 2 2 374.511 -1.442 20 0 FAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000333735679 483187371 /nfs/dbraw/zinc/18/73/71/483187371.db2.gz WWSUPLIGGFRSNY-CQSZACIVSA-N 2 2 374.511 -1.442 20 0 FAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)CC2)CC1 ZINC000333826027 483187197 /nfs/dbraw/zinc/18/71/97/483187197.db2.gz LOZZMJFJGBDSJT-WDNDVIMCSA-N 2 2 372.495 -1.976 20 0 FAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000333834513 483186666 /nfs/dbraw/zinc/18/66/66/483186666.db2.gz NDAHAUUDZBBYKM-AWEZNQCLSA-N 2 2 374.511 -1.442 20 0 FAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)NC[C@H]3CCC[NH2+]3)CC2)CC1 ZINC000333834515 483186814 /nfs/dbraw/zinc/18/68/14/483186814.db2.gz NDAHAUUDZBBYKM-CQSZACIVSA-N 2 2 374.511 -1.442 20 0 FAADLP Cc1[nH+]ccn1CCNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333835972 483186916 /nfs/dbraw/zinc/18/69/16/483186916.db2.gz UGOVFDZXFCFWJI-UHFFFAOYSA-N 2 2 356.452 -1.180 20 0 FAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)N[C@@H](C[NH3+])C3CC3)CC2)CC1 ZINC000333880680 483187212 /nfs/dbraw/zinc/18/72/12/483187212.db2.gz WBZJKPWNPYHBMY-AWEZNQCLSA-N 2 2 374.511 -1.457 20 0 FAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)N[C@H](C[NH3+])C3CC3)CC2)CC1 ZINC000333880681 483187512 /nfs/dbraw/zinc/18/75/12/483187512.db2.gz WBZJKPWNPYHBMY-CQSZACIVSA-N 2 2 374.511 -1.457 20 0 FAADLP COCC[N@@H+](C)CCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000360283740 483201376 /nfs/dbraw/zinc/20/13/76/483201376.db2.gz JIEMPFPQXPYOEA-HNNXBMFYSA-N 2 2 356.467 -1.139 20 0 FAADLP COCC[N@H+](C)CCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000360283740 483201365 /nfs/dbraw/zinc/20/13/65/483201365.db2.gz JIEMPFPQXPYOEA-HNNXBMFYSA-N 2 2 356.467 -1.139 20 0 FAADLP COCC[N@@H+](C)CCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000360283743 483202319 /nfs/dbraw/zinc/20/23/19/483202319.db2.gz JIEMPFPQXPYOEA-OAHLLOKOSA-N 2 2 356.467 -1.139 20 0 FAADLP COCC[N@H+](C)CCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000360283743 483202315 /nfs/dbraw/zinc/20/23/15/483202315.db2.gz JIEMPFPQXPYOEA-OAHLLOKOSA-N 2 2 356.467 -1.139 20 0 FAADLP CNC(=O)NC(=O)C[NH+](C)[C@@H]1CCC[N@@H+](CC(=O)NC(=O)NC)CC1 ZINC000361233973 483201106 /nfs/dbraw/zinc/20/11/06/483201106.db2.gz GLBYOJURWUQUAX-LLVKDONJSA-N 2 2 356.427 -1.316 20 0 FAADLP CNC(=O)NC(=O)C[NH+](C)[C@@H]1CCC[N@H+](CC(=O)NC(=O)NC)CC1 ZINC000361233973 483201102 /nfs/dbraw/zinc/20/11/02/483201102.db2.gz GLBYOJURWUQUAX-LLVKDONJSA-N 2 2 356.427 -1.316 20 0 FAADLP CNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCC[NH+](CC(=O)NC(=O)NC)CC1 ZINC000361233973 483201095 /nfs/dbraw/zinc/20/10/95/483201095.db2.gz GLBYOJURWUQUAX-LLVKDONJSA-N 2 2 356.427 -1.316 20 0 FAADLP CNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCC[NH+](CC(=O)NC(=O)NC)CC1 ZINC000361233973 483201092 /nfs/dbraw/zinc/20/10/92/483201092.db2.gz GLBYOJURWUQUAX-LLVKDONJSA-N 2 2 356.427 -1.316 20 0 FAADLP CNC(=O)NC(=O)C[NH+](C)[C@H]1CCC[N@@H+](CC(=O)NC(=O)NC)CC1 ZINC000361233974 483202093 /nfs/dbraw/zinc/20/20/93/483202093.db2.gz GLBYOJURWUQUAX-NSHDSACASA-N 2 2 356.427 -1.316 20 0 FAADLP CNC(=O)NC(=O)C[NH+](C)[C@H]1CCC[N@H+](CC(=O)NC(=O)NC)CC1 ZINC000361233974 483202088 /nfs/dbraw/zinc/20/20/88/483202088.db2.gz GLBYOJURWUQUAX-NSHDSACASA-N 2 2 356.427 -1.316 20 0 FAADLP CNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCC[NH+](CC(=O)NC(=O)NC)CC1 ZINC000361233974 483202081 /nfs/dbraw/zinc/20/20/81/483202081.db2.gz GLBYOJURWUQUAX-NSHDSACASA-N 2 2 356.427 -1.316 20 0 FAADLP CNC(=O)NC(=O)C[N@H+](C)[C@H]1CCC[NH+](CC(=O)NC(=O)NC)CC1 ZINC000361233974 483202078 /nfs/dbraw/zinc/20/20/78/483202078.db2.gz GLBYOJURWUQUAX-NSHDSACASA-N 2 2 356.427 -1.316 20 0 FAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)[C@]3(F)CC[NH2+]C3)CC2)CC1 ZINC000361958001 483203329 /nfs/dbraw/zinc/20/33/29/483203329.db2.gz VXAKGHVRTNRYBM-AWEZNQCLSA-N 2 2 363.459 -1.676 20 0 FAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)[C@@]3(F)CC[NH2+]C3)CC2)CC1 ZINC000361958002 483203062 /nfs/dbraw/zinc/20/30/62/483203062.db2.gz VXAKGHVRTNRYBM-CQSZACIVSA-N 2 2 363.459 -1.676 20 0 FAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)[C@H]3C[C@@H](O)C[NH2+]3)CC2)CC1 ZINC000361958515 483203153 /nfs/dbraw/zinc/20/31/53/483203153.db2.gz ZXTOYJHHQGHQAJ-CHWSQXEVSA-N 2 2 361.468 -2.654 20 0 FAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@@H](O)C[NH2+]3)CC2)CC1 ZINC000361958520 483202772 /nfs/dbraw/zinc/20/27/72/483202772.db2.gz ZXTOYJHHQGHQAJ-OLZOCXBDSA-N 2 2 361.468 -2.654 20 0 FAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)[C@H]3C[C@H](O)C[NH2+]3)CC2)CC1 ZINC000361958522 483204127 /nfs/dbraw/zinc/20/41/27/483204127.db2.gz ZXTOYJHHQGHQAJ-QWHCGFSZSA-N 2 2 361.468 -2.654 20 0 FAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)CC2)CC1 ZINC000361958523 483203349 /nfs/dbraw/zinc/20/33/49/483203349.db2.gz ZXTOYJHHQGHQAJ-STQMWFEESA-N 2 2 361.468 -2.654 20 0 FAADLP CN1C(=O)C(=O)N(CC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000363002006 483205680 /nfs/dbraw/zinc/20/56/80/483205680.db2.gz XMMLEYKIGRLCQM-LLVKDONJSA-N 2 2 351.407 -1.308 20 0 FAADLP CN1C(=O)C(=O)N(CC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000363002006 483205676 /nfs/dbraw/zinc/20/56/76/483205676.db2.gz XMMLEYKIGRLCQM-LLVKDONJSA-N 2 2 351.407 -1.308 20 0 FAADLP CN1C(=O)C(=O)N(CC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000363002007 483205725 /nfs/dbraw/zinc/20/57/25/483205725.db2.gz XMMLEYKIGRLCQM-NSHDSACASA-N 2 2 351.407 -1.308 20 0 FAADLP CN1C(=O)C(=O)N(CC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000363002007 483205722 /nfs/dbraw/zinc/20/57/22/483205722.db2.gz XMMLEYKIGRLCQM-NSHDSACASA-N 2 2 351.407 -1.308 20 0 FAADLP COCC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000363187527 483208133 /nfs/dbraw/zinc/20/81/33/483208133.db2.gz NLZCJYHWGNWDKC-INIZCTEOSA-N 2 2 368.478 -1.042 20 0 FAADLP COCC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000363187528 483207019 /nfs/dbraw/zinc/20/70/19/483207019.db2.gz NLZCJYHWGNWDKC-MRXNPFEDSA-N 2 2 368.478 -1.042 20 0 FAADLP C[NH+]1CCN(CCNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000363484488 482672142 /nfs/dbraw/zinc/67/21/42/482672142.db2.gz ZMBBXFXSQWOMCP-INIZCTEOSA-N 2 2 367.494 -1.469 20 0 FAADLP C[NH+]1CCN(CCNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000363484489 482671965 /nfs/dbraw/zinc/67/19/65/482671965.db2.gz ZMBBXFXSQWOMCP-MRXNPFEDSA-N 2 2 367.494 -1.469 20 0 FAADLP O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[NH+](CCO)CC1 ZINC000364078577 482777889 /nfs/dbraw/zinc/77/78/89/482777889.db2.gz PWCFGTYUVZIWTC-HNNXBMFYSA-N 2 2 354.451 -1.696 20 0 FAADLP O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[NH+](CCO)CC1 ZINC000364078578 482778195 /nfs/dbraw/zinc/77/81/95/482778195.db2.gz PWCFGTYUVZIWTC-OAHLLOKOSA-N 2 2 354.451 -1.696 20 0 FAADLP COCC[NH+](C)CCCNC(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000364715093 658791941 /nfs/dbraw/zinc/79/19/41/658791941.db2.gz SDBXJKHDXOUUMJ-AWEZNQCLSA-N 2 2 359.471 -1.218 20 0 FAADLP COCC[NH+](C)CCCNC(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000364715093 658791940 /nfs/dbraw/zinc/79/19/40/658791940.db2.gz SDBXJKHDXOUUMJ-AWEZNQCLSA-N 2 2 359.471 -1.218 20 0 FAADLP COCC[N@@H+](C)CCCNC(=O)N1CCO[C@@H](C[NH+](C)CC(N)=O)C1 ZINC000364715093 658791936 /nfs/dbraw/zinc/79/19/36/658791936.db2.gz SDBXJKHDXOUUMJ-AWEZNQCLSA-N 2 2 359.471 -1.218 20 0 FAADLP COCC[N@H+](C)CCCNC(=O)N1CCO[C@@H](C[NH+](C)CC(N)=O)C1 ZINC000364715093 658791933 /nfs/dbraw/zinc/79/19/33/658791933.db2.gz SDBXJKHDXOUUMJ-AWEZNQCLSA-N 2 2 359.471 -1.218 20 0 FAADLP COCC[NH+](C)CCCNC(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000364715096 658791868 /nfs/dbraw/zinc/79/18/68/658791868.db2.gz SDBXJKHDXOUUMJ-CQSZACIVSA-N 2 2 359.471 -1.218 20 0 FAADLP COCC[NH+](C)CCCNC(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000364715096 658791866 /nfs/dbraw/zinc/79/18/66/658791866.db2.gz SDBXJKHDXOUUMJ-CQSZACIVSA-N 2 2 359.471 -1.218 20 0 FAADLP COCC[N@@H+](C)CCCNC(=O)N1CCO[C@H](C[NH+](C)CC(N)=O)C1 ZINC000364715096 658791863 /nfs/dbraw/zinc/79/18/63/658791863.db2.gz SDBXJKHDXOUUMJ-CQSZACIVSA-N 2 2 359.471 -1.218 20 0 FAADLP COCC[N@H+](C)CCCNC(=O)N1CCO[C@H](C[NH+](C)CC(N)=O)C1 ZINC000364715096 658791859 /nfs/dbraw/zinc/79/18/59/658791859.db2.gz SDBXJKHDXOUUMJ-CQSZACIVSA-N 2 2 359.471 -1.218 20 0 FAADLP CC(C)Nc1nc(N2CC[NH+]([C@@H]3CCOC3)CC2)nc(NCCO)[nH+]1 ZINC000367260573 483199717 /nfs/dbraw/zinc/19/97/17/483199717.db2.gz PZOJFQWCWOAJEO-CYBMUJFWSA-N 2 2 351.455 -1.149 20 0 FAADLP CC(C)Nc1nc(N2CC[NH+]([C@H]3CCOC3)CC2)nc(NCCO)[nH+]1 ZINC000367260574 483200169 /nfs/dbraw/zinc/20/01/69/483200169.db2.gz PZOJFQWCWOAJEO-ZDUSSCGKSA-N 2 2 351.455 -1.149 20 0 FAADLP CC(C)Nc1nc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)nc(NCCO)[nH+]1 ZINC000367420464 483206985 /nfs/dbraw/zinc/20/69/85/483206985.db2.gz RIEMFCWXVMTSPW-KBPBESRZSA-N 2 2 365.482 -1.025 20 0 FAADLP CC(C)Nc1nc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)nc(NCCO)[nH+]1 ZINC000367420465 483206951 /nfs/dbraw/zinc/20/69/51/483206951.db2.gz RIEMFCWXVMTSPW-KGLIPLIRSA-N 2 2 365.482 -1.025 20 0 FAADLP CC(C)Nc1nc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)nc(NCCO)[nH+]1 ZINC000367420466 483207453 /nfs/dbraw/zinc/20/74/53/483207453.db2.gz RIEMFCWXVMTSPW-UONOGXRCSA-N 2 2 365.482 -1.025 20 0 FAADLP CC(C)Nc1nc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)nc(NCCO)[nH+]1 ZINC000367420467 483207406 /nfs/dbraw/zinc/20/74/06/483207406.db2.gz RIEMFCWXVMTSPW-ZIAGYGMSSA-N 2 2 365.482 -1.025 20 0 FAADLP C[NH+](CC(N)=O)C[C@H]1CN(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CCO1 ZINC000368041204 483212556 /nfs/dbraw/zinc/21/25/56/483212556.db2.gz AYTKHPDHRFMJAL-CABCVRRESA-N 2 2 369.466 -1.323 20 0 FAADLP C[NH+](CC(N)=O)C[C@H]1CN(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CCO1 ZINC000368041204 483212549 /nfs/dbraw/zinc/21/25/49/483212549.db2.gz AYTKHPDHRFMJAL-CABCVRRESA-N 2 2 369.466 -1.323 20 0 FAADLP C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)NC[C@@H]2C[NH+](C3CC3)CCO2)CCO1 ZINC000368041204 483212541 /nfs/dbraw/zinc/21/25/41/483212541.db2.gz AYTKHPDHRFMJAL-CABCVRRESA-N 2 2 369.466 -1.323 20 0 FAADLP C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)NC[C@@H]2C[NH+](C3CC3)CCO2)CCO1 ZINC000368041204 483212532 /nfs/dbraw/zinc/21/25/32/483212532.db2.gz AYTKHPDHRFMJAL-CABCVRRESA-N 2 2 369.466 -1.323 20 0 FAADLP C[NH+](CC(N)=O)C[C@H]1CN(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CCO1 ZINC000368041205 483211531 /nfs/dbraw/zinc/21/15/31/483211531.db2.gz AYTKHPDHRFMJAL-GJZGRUSLSA-N 2 2 369.466 -1.323 20 0 FAADLP C[NH+](CC(N)=O)C[C@H]1CN(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CCO1 ZINC000368041205 483211525 /nfs/dbraw/zinc/21/15/25/483211525.db2.gz AYTKHPDHRFMJAL-GJZGRUSLSA-N 2 2 369.466 -1.323 20 0 FAADLP C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)NC[C@H]2C[NH+](C3CC3)CCO2)CCO1 ZINC000368041205 483211523 /nfs/dbraw/zinc/21/15/23/483211523.db2.gz AYTKHPDHRFMJAL-GJZGRUSLSA-N 2 2 369.466 -1.323 20 0 FAADLP C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)NC[C@H]2C[NH+](C3CC3)CCO2)CCO1 ZINC000368041205 483211518 /nfs/dbraw/zinc/21/15/18/483211518.db2.gz AYTKHPDHRFMJAL-GJZGRUSLSA-N 2 2 369.466 -1.323 20 0 FAADLP C[NH+](CC(N)=O)C[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CCO1 ZINC000368041206 483212646 /nfs/dbraw/zinc/21/26/46/483212646.db2.gz AYTKHPDHRFMJAL-HUUCEWRRSA-N 2 2 369.466 -1.323 20 0 FAADLP C[NH+](CC(N)=O)C[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CCO1 ZINC000368041206 483212637 /nfs/dbraw/zinc/21/26/37/483212637.db2.gz AYTKHPDHRFMJAL-HUUCEWRRSA-N 2 2 369.466 -1.323 20 0 FAADLP C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)NC[C@@H]2C[NH+](C3CC3)CCO2)CCO1 ZINC000368041206 483212629 /nfs/dbraw/zinc/21/26/29/483212629.db2.gz AYTKHPDHRFMJAL-HUUCEWRRSA-N 2 2 369.466 -1.323 20 0 FAADLP C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)NC[C@@H]2C[NH+](C3CC3)CCO2)CCO1 ZINC000368041206 483212622 /nfs/dbraw/zinc/21/26/22/483212622.db2.gz AYTKHPDHRFMJAL-HUUCEWRRSA-N 2 2 369.466 -1.323 20 0 FAADLP C[NH+](CC(N)=O)C[C@@H]1CN(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CCO1 ZINC000368041207 483211948 /nfs/dbraw/zinc/21/19/48/483211948.db2.gz AYTKHPDHRFMJAL-LSDHHAIUSA-N 2 2 369.466 -1.323 20 0 FAADLP C[NH+](CC(N)=O)C[C@@H]1CN(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CCO1 ZINC000368041207 483211943 /nfs/dbraw/zinc/21/19/43/483211943.db2.gz AYTKHPDHRFMJAL-LSDHHAIUSA-N 2 2 369.466 -1.323 20 0 FAADLP C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)NC[C@H]2C[NH+](C3CC3)CCO2)CCO1 ZINC000368041207 483211937 /nfs/dbraw/zinc/21/19/37/483211937.db2.gz AYTKHPDHRFMJAL-LSDHHAIUSA-N 2 2 369.466 -1.323 20 0 FAADLP C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)NC[C@H]2C[NH+](C3CC3)CCO2)CCO1 ZINC000368041207 483211932 /nfs/dbraw/zinc/21/19/32/483211932.db2.gz AYTKHPDHRFMJAL-LSDHHAIUSA-N 2 2 369.466 -1.323 20 0 FAADLP CC(C)(CNC(=O)C[N@H+]1CC[C@H]2C(=O)NC(=O)[C@@H]2C1)[NH+]1CCOCC1 ZINC000368634286 483211019 /nfs/dbraw/zinc/21/10/19/483211019.db2.gz CPTMUDLZSPTUQA-CHWSQXEVSA-N 2 2 352.435 -1.192 20 0 FAADLP CC(C)(CNC(=O)C[N@@H+]1CC[C@H]2C(=O)NC(=O)[C@@H]2C1)[NH+]1CCOCC1 ZINC000368634286 483211012 /nfs/dbraw/zinc/21/10/12/483211012.db2.gz CPTMUDLZSPTUQA-CHWSQXEVSA-N 2 2 352.435 -1.192 20 0 FAADLP CC(C)(CNC(=O)C[N@H+]1CC[C@H]2C(=O)NC(=O)[C@H]2C1)[NH+]1CCOCC1 ZINC000368634288 483211354 /nfs/dbraw/zinc/21/13/54/483211354.db2.gz CPTMUDLZSPTUQA-OLZOCXBDSA-N 2 2 352.435 -1.192 20 0 FAADLP CC(C)(CNC(=O)C[N@@H+]1CC[C@H]2C(=O)NC(=O)[C@H]2C1)[NH+]1CCOCC1 ZINC000368634288 483211348 /nfs/dbraw/zinc/21/13/48/483211348.db2.gz CPTMUDLZSPTUQA-OLZOCXBDSA-N 2 2 352.435 -1.192 20 0 FAADLP CC(C)(CNC(=O)C[N@H+]1CC[C@@H]2C(=O)NC(=O)[C@@H]2C1)[NH+]1CCOCC1 ZINC000368634290 483211701 /nfs/dbraw/zinc/21/17/01/483211701.db2.gz CPTMUDLZSPTUQA-QWHCGFSZSA-N 2 2 352.435 -1.192 20 0 FAADLP CC(C)(CNC(=O)C[N@@H+]1CC[C@@H]2C(=O)NC(=O)[C@@H]2C1)[NH+]1CCOCC1 ZINC000368634290 483211694 /nfs/dbraw/zinc/21/16/94/483211694.db2.gz CPTMUDLZSPTUQA-QWHCGFSZSA-N 2 2 352.435 -1.192 20 0 FAADLP CC(C)(CNC(=O)C[N@H+]1CC[C@@H]2C(=O)NC(=O)[C@H]2C1)[NH+]1CCOCC1 ZINC000368634291 483211850 /nfs/dbraw/zinc/21/18/50/483211850.db2.gz CPTMUDLZSPTUQA-STQMWFEESA-N 2 2 352.435 -1.192 20 0 FAADLP 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/nfs/dbraw/zinc/64/35/01/482643501.db2.gz HDQFEPAFAUAJJP-KFWWJZLASA-N 2 2 356.467 -1.575 20 0 FAADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)CC1 ZINC000410517265 482644024 /nfs/dbraw/zinc/64/40/24/482644024.db2.gz HDQFEPAFAUAJJP-RBSFLKMASA-N 2 2 356.467 -1.575 20 0 FAADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)CC1 ZINC000410517265 482644019 /nfs/dbraw/zinc/64/40/19/482644019.db2.gz HDQFEPAFAUAJJP-RBSFLKMASA-N 2 2 356.467 -1.575 20 0 FAADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)CC1 ZINC000410517266 482644756 /nfs/dbraw/zinc/64/47/56/482644756.db2.gz HDQFEPAFAUAJJP-RRFJBIMHSA-N 2 2 356.467 -1.575 20 0 FAADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)CC1 ZINC000410517266 482644750 /nfs/dbraw/zinc/64/47/50/482644750.db2.gz HDQFEPAFAUAJJP-RRFJBIMHSA-N 2 2 356.467 -1.575 20 0 FAADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)CC1 ZINC000410517270 482643447 /nfs/dbraw/zinc/64/34/47/482643447.db2.gz HDQFEPAFAUAJJP-ZNMIVQPWSA-N 2 2 356.467 -1.575 20 0 FAADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)CC1 ZINC000410517270 482643445 /nfs/dbraw/zinc/64/34/45/482643445.db2.gz HDQFEPAFAUAJJP-ZNMIVQPWSA-N 2 2 356.467 -1.575 20 0 FAADLP COCC[N@H+]1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)C[C@H]1C ZINC000410519823 272851362 /nfs/dbraw/zinc/85/13/62/272851362.db2.gz VHELIFBRVUCGMN-HUUCEWRRSA-N 2 2 356.467 -1.310 20 0 FAADLP COCC[N@@H+]1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)C[C@H]1C ZINC000410519823 272851360 /nfs/dbraw/zinc/85/13/60/272851360.db2.gz VHELIFBRVUCGMN-HUUCEWRRSA-N 2 2 356.467 -1.310 20 0 FAADLP COCC[N@H+]1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)C[C@@H]1C ZINC000410519824 482643657 /nfs/dbraw/zinc/64/36/57/482643657.db2.gz VHELIFBRVUCGMN-LSDHHAIUSA-N 2 2 356.467 -1.310 20 0 FAADLP COCC[N@@H+]1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)C[C@@H]1C ZINC000410519824 482643653 /nfs/dbraw/zinc/64/36/53/482643653.db2.gz VHELIFBRVUCGMN-LSDHHAIUSA-N 2 2 356.467 -1.310 20 0 FAADLP CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC000410534838 482646099 /nfs/dbraw/zinc/64/60/99/482646099.db2.gz NVJGDEZMYXPDGF-CABCVRRESA-N 2 2 356.467 -1.574 20 0 FAADLP CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC000410534840 482646572 /nfs/dbraw/zinc/64/65/72/482646572.db2.gz NVJGDEZMYXPDGF-HUUCEWRRSA-N 2 2 356.467 -1.574 20 0 FAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000410568721 482917857 /nfs/dbraw/zinc/91/78/57/482917857.db2.gz CIUXVDMEMRPVNI-INIZCTEOSA-N 2 2 368.478 -1.165 20 0 FAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000410568722 482918998 /nfs/dbraw/zinc/91/89/98/482918998.db2.gz CIUXVDMEMRPVNI-MRXNPFEDSA-N 2 2 368.478 -1.165 20 0 FAADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000410698015 482926159 /nfs/dbraw/zinc/92/61/59/482926159.db2.gz MLJFRWZEBOFZPX-CVEARBPZSA-N 2 2 370.494 -1.064 20 0 FAADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000410698015 482926155 /nfs/dbraw/zinc/92/61/55/482926155.db2.gz MLJFRWZEBOFZPX-CVEARBPZSA-N 2 2 370.494 -1.064 20 0 FAADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000410698016 482925808 /nfs/dbraw/zinc/92/58/08/482925808.db2.gz MLJFRWZEBOFZPX-HOTGVXAUSA-N 2 2 370.494 -1.064 20 0 FAADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000410698016 482925805 /nfs/dbraw/zinc/92/58/05/482925805.db2.gz MLJFRWZEBOFZPX-HOTGVXAUSA-N 2 2 370.494 -1.064 20 0 FAADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000410698017 482925624 /nfs/dbraw/zinc/92/56/24/482925624.db2.gz MLJFRWZEBOFZPX-HZPDHXFCSA-N 2 2 370.494 -1.064 20 0 FAADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000410698017 482925617 /nfs/dbraw/zinc/92/56/17/482925617.db2.gz MLJFRWZEBOFZPX-HZPDHXFCSA-N 2 2 370.494 -1.064 20 0 FAADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000410698018 482926076 /nfs/dbraw/zinc/92/60/76/482926076.db2.gz MLJFRWZEBOFZPX-JKSUJKDBSA-N 2 2 370.494 -1.064 20 0 FAADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000410698018 482926071 /nfs/dbraw/zinc/92/60/71/482926071.db2.gz MLJFRWZEBOFZPX-JKSUJKDBSA-N 2 2 370.494 -1.064 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C[C@H](C)[N@@H+]1C ZINC000410707841 482927768 /nfs/dbraw/zinc/92/77/68/482927768.db2.gz FJRIATUDQCYXQC-QLFBSQMISA-N 2 2 356.467 -1.311 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C[C@H](C)[N@H+]1C ZINC000410707841 482927759 /nfs/dbraw/zinc/92/77/59/482927759.db2.gz FJRIATUDQCYXQC-QLFBSQMISA-N 2 2 356.467 -1.311 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C[C@H](C)[N@@H+]1C ZINC000410707913 482927041 /nfs/dbraw/zinc/92/70/41/482927041.db2.gz FJRIATUDQCYXQC-ZNMIVQPWSA-N 2 2 356.467 -1.311 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C[C@H](C)[N@H+]1C ZINC000410707913 482927037 /nfs/dbraw/zinc/92/70/37/482927037.db2.gz FJRIATUDQCYXQC-ZNMIVQPWSA-N 2 2 356.467 -1.311 20 0 FAADLP CC(C)[NH+]1CCN(C(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000410708570 482926011 /nfs/dbraw/zinc/92/60/11/482926011.db2.gz JVHDVAFHQCGZPB-HNNXBMFYSA-N 2 2 356.467 -1.310 20 0 FAADLP CC(C)[NH+]1CCN(C(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000410708571 482926311 /nfs/dbraw/zinc/92/63/11/482926311.db2.gz JVHDVAFHQCGZPB-OAHLLOKOSA-N 2 2 356.467 -1.310 20 0 FAADLP CC(C)[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CC[N@H+]1C ZINC000410708599 482925791 /nfs/dbraw/zinc/92/57/91/482925791.db2.gz KBKGSYMBXOJPQB-CVEARBPZSA-N 2 2 370.494 -1.064 20 0 FAADLP CC(C)[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000410708599 482925789 /nfs/dbraw/zinc/92/57/89/482925789.db2.gz KBKGSYMBXOJPQB-CVEARBPZSA-N 2 2 370.494 -1.064 20 0 FAADLP CC(C)[C@@H]1CN(C(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CC[N@H+]1C ZINC000410708600 482926430 /nfs/dbraw/zinc/92/64/30/482926430.db2.gz KBKGSYMBXOJPQB-HOTGVXAUSA-N 2 2 370.494 -1.064 20 0 FAADLP CC(C)[C@@H]1CN(C(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000410708600 482926426 /nfs/dbraw/zinc/92/64/26/482926426.db2.gz KBKGSYMBXOJPQB-HOTGVXAUSA-N 2 2 370.494 -1.064 20 0 FAADLP CC(C)[C@H]1CN(C(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CC[N@H+]1C ZINC000410708601 482926506 /nfs/dbraw/zinc/92/65/06/482926506.db2.gz KBKGSYMBXOJPQB-HZPDHXFCSA-N 2 2 370.494 -1.064 20 0 FAADLP CC(C)[C@H]1CN(C(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000410708601 482926500 /nfs/dbraw/zinc/92/65/00/482926500.db2.gz KBKGSYMBXOJPQB-HZPDHXFCSA-N 2 2 370.494 -1.064 20 0 FAADLP CC(C)[C@H]1CN(C(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CC[N@H+]1C ZINC000410708602 482925383 /nfs/dbraw/zinc/92/53/83/482925383.db2.gz KBKGSYMBXOJPQB-JKSUJKDBSA-N 2 2 370.494 -1.064 20 0 FAADLP CC(C)[C@H]1CN(C(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000410708602 482925375 /nfs/dbraw/zinc/92/53/75/482925375.db2.gz KBKGSYMBXOJPQB-JKSUJKDBSA-N 2 2 370.494 -1.064 20 0 FAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000410849272 482937463 /nfs/dbraw/zinc/93/74/63/482937463.db2.gz VISWJMLWHOCVHS-CABCVRRESA-N 2 2 370.494 -1.185 20 0 FAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000410849272 482937459 /nfs/dbraw/zinc/93/74/59/482937459.db2.gz VISWJMLWHOCVHS-CABCVRRESA-N 2 2 370.494 -1.185 20 0 FAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000410849273 482938304 /nfs/dbraw/zinc/93/83/04/482938304.db2.gz VISWJMLWHOCVHS-GJZGRUSLSA-N 2 2 370.494 -1.185 20 0 FAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000410849273 482938300 /nfs/dbraw/zinc/93/83/00/482938300.db2.gz VISWJMLWHOCVHS-GJZGRUSLSA-N 2 2 370.494 -1.185 20 0 FAADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000410849274 482938219 /nfs/dbraw/zinc/93/82/19/482938219.db2.gz VISWJMLWHOCVHS-HUUCEWRRSA-N 2 2 370.494 -1.185 20 0 FAADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000410849274 482938215 /nfs/dbraw/zinc/93/82/15/482938215.db2.gz VISWJMLWHOCVHS-HUUCEWRRSA-N 2 2 370.494 -1.185 20 0 FAADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000410849275 482937533 /nfs/dbraw/zinc/93/75/33/482937533.db2.gz VISWJMLWHOCVHS-LSDHHAIUSA-N 2 2 370.494 -1.185 20 0 FAADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000410849275 482937531 /nfs/dbraw/zinc/93/75/31/482937531.db2.gz VISWJMLWHOCVHS-LSDHHAIUSA-N 2 2 370.494 -1.185 20 0 FAADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000410872330 482939530 /nfs/dbraw/zinc/93/95/30/482939530.db2.gz UOTGFQRNLFOCEJ-CVEARBPZSA-N 2 2 368.478 -1.308 20 0 FAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000410872333 482939046 /nfs/dbraw/zinc/93/90/46/482939046.db2.gz UOTGFQRNLFOCEJ-HOTGVXAUSA-N 2 2 368.478 -1.308 20 0 FAADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000410872334 482939743 /nfs/dbraw/zinc/93/97/43/482939743.db2.gz UOTGFQRNLFOCEJ-HZPDHXFCSA-N 2 2 368.478 -1.308 20 0 FAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000410872335 482938966 /nfs/dbraw/zinc/93/89/66/482938966.db2.gz UOTGFQRNLFOCEJ-JKSUJKDBSA-N 2 2 368.478 -1.308 20 0 FAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000410937940 482943311 /nfs/dbraw/zinc/94/33/11/482943311.db2.gz MGPGIWUNEIKJPH-CABCVRRESA-N 2 2 370.494 -1.185 20 0 FAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000410937940 482943307 /nfs/dbraw/zinc/94/33/07/482943307.db2.gz MGPGIWUNEIKJPH-CABCVRRESA-N 2 2 370.494 -1.185 20 0 FAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000410937942 482942386 /nfs/dbraw/zinc/94/23/86/482942386.db2.gz MGPGIWUNEIKJPH-GJZGRUSLSA-N 2 2 370.494 -1.185 20 0 FAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000410937942 482942379 /nfs/dbraw/zinc/94/23/79/482942379.db2.gz MGPGIWUNEIKJPH-GJZGRUSLSA-N 2 2 370.494 -1.185 20 0 FAADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000410937943 482943149 /nfs/dbraw/zinc/94/31/49/482943149.db2.gz MGPGIWUNEIKJPH-HUUCEWRRSA-N 2 2 370.494 -1.185 20 0 FAADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000410937943 482943144 /nfs/dbraw/zinc/94/31/44/482943144.db2.gz MGPGIWUNEIKJPH-HUUCEWRRSA-N 2 2 370.494 -1.185 20 0 FAADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000410937945 482942431 /nfs/dbraw/zinc/94/24/31/482942431.db2.gz MGPGIWUNEIKJPH-LSDHHAIUSA-N 2 2 370.494 -1.185 20 0 FAADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000410937945 482942426 /nfs/dbraw/zinc/94/24/26/482942426.db2.gz MGPGIWUNEIKJPH-LSDHHAIUSA-N 2 2 370.494 -1.185 20 0 FAADLP COC(=O)[C@@H]1CN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[N@@H+](C)C1 ZINC000413113000 482965793 /nfs/dbraw/zinc/96/57/93/482965793.db2.gz WAPOGNSBISOVRJ-AWEZNQCLSA-N 2 2 369.466 -1.103 20 0 FAADLP COC(=O)[C@@H]1CN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[N@H+](C)C1 ZINC000413113000 482965787 /nfs/dbraw/zinc/96/57/87/482965787.db2.gz WAPOGNSBISOVRJ-AWEZNQCLSA-N 2 2 369.466 -1.103 20 0 FAADLP COC(=O)[C@H]1CN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[N@@H+](C)C1 ZINC000413113018 482965971 /nfs/dbraw/zinc/96/59/71/482965971.db2.gz WAPOGNSBISOVRJ-CQSZACIVSA-N 2 2 369.466 -1.103 20 0 FAADLP COC(=O)[C@H]1CN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[N@H+](C)C1 ZINC000413113018 482965968 /nfs/dbraw/zinc/96/59/68/482965968.db2.gz WAPOGNSBISOVRJ-CQSZACIVSA-N 2 2 369.466 -1.103 20 0 FAADLP COC(=O)[C@H]1CN(c2nc(NCCO)[nH+]c(NC(C)C)n2)CC[N@@H+](C)C1 ZINC000413500926 482966220 /nfs/dbraw/zinc/96/62/20/482966220.db2.gz OWAUAJPXQPXOAT-GFCCVEGCSA-N 2 2 367.454 -1.519 20 0 FAADLP COC(=O)[C@H]1CN(c2nc(NCCO)[nH+]c(NC(C)C)n2)CC[N@H+](C)C1 ZINC000413500926 482966215 /nfs/dbraw/zinc/96/62/15/482966215.db2.gz OWAUAJPXQPXOAT-GFCCVEGCSA-N 2 2 367.454 -1.519 20 0 FAADLP COC(=O)[C@@H]1CN(c2nc(NCCO)[nH+]c(NC(C)C)n2)CC[N@@H+](C)C1 ZINC000413500930 482965911 /nfs/dbraw/zinc/96/59/11/482965911.db2.gz OWAUAJPXQPXOAT-LBPRGKRZSA-N 2 2 367.454 -1.519 20 0 FAADLP COC(=O)[C@@H]1CN(c2nc(NCCO)[nH+]c(NC(C)C)n2)CC[N@H+](C)C1 ZINC000413500930 482965906 /nfs/dbraw/zinc/96/59/06/482965906.db2.gz OWAUAJPXQPXOAT-LBPRGKRZSA-N 2 2 367.454 -1.519 20 0 FAADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C(COC)COC)CC2)CC1 ZINC000414599604 483012646 /nfs/dbraw/zinc/01/26/46/483012646.db2.gz NBZHFHDXEMZSDU-UHFFFAOYSA-N 2 2 356.467 -1.044 20 0 FAADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)CC1 ZINC000414602174 483014340 /nfs/dbraw/zinc/01/43/40/483014340.db2.gz UNOJKIKTEKZYNZ-GOEBONIOSA-N 2 2 368.478 -1.046 20 0 FAADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)CC1 ZINC000414602174 483014335 /nfs/dbraw/zinc/01/43/35/483014335.db2.gz UNOJKIKTEKZYNZ-GOEBONIOSA-N 2 2 368.478 -1.046 20 0 FAADLP O=C(NCCCn1cc[nH+]c1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000416443374 483106093 /nfs/dbraw/zinc/10/60/93/483106093.db2.gz HBGBNBYHTWVPHS-UHFFFAOYSA-N 2 2 356.452 -1.098 20 0 FAADLP C[NH2+]CCCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000418281196 483232374 /nfs/dbraw/zinc/23/23/74/483232374.db2.gz UDWDRDDGHBNSCC-UHFFFAOYSA-N 2 2 362.500 -1.585 20 0 FAADLP CC[NH2+]CCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000418329696 483264811 /nfs/dbraw/zinc/26/48/11/483264811.db2.gz UYEXSCMGYCEAQA-UHFFFAOYSA-N 2 2 362.500 -1.585 20 0 FAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)NCC(C)(C)[NH3+])CC2)CC1 ZINC000418416115 483284152 /nfs/dbraw/zinc/28/41/52/483284152.db2.gz PIWLJSZSHRENTK-UHFFFAOYSA-N 2 2 362.500 -1.457 20 0 FAADLP C[C@H](C[NH3+])CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000418469133 483284127 /nfs/dbraw/zinc/28/41/27/483284127.db2.gz JUCTUWPSHCPBJK-CYBMUJFWSA-N 2 2 362.500 -1.599 20 0 FAADLP C[C@@H](C[NH3+])CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000418469136 483284104 /nfs/dbraw/zinc/28/41/04/483284104.db2.gz JUCTUWPSHCPBJK-ZDUSSCGKSA-N 2 2 362.500 -1.599 20 0 FAADLP C[C@H](CC[NH3+])NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000418517627 483283905 /nfs/dbraw/zinc/28/39/05/483283905.db2.gz DUJJNYWTTZIPLI-CYBMUJFWSA-N 2 2 362.500 -1.457 20 0 FAADLP C[C@@H](CC[NH3+])NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000418517635 483284000 /nfs/dbraw/zinc/28/40/00/483284000.db2.gz DUJJNYWTTZIPLI-ZDUSSCGKSA-N 2 2 362.500 -1.457 20 0 FAADLP COCC[NH2+]CCNC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000418542073 483283467 /nfs/dbraw/zinc/28/34/67/483283467.db2.gz HEOBGRAKMFMBSF-HNNXBMFYSA-N 2 2 371.482 -1.203 20 0 FAADLP COCC[NH2+]CCNC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000418542074 272852594 /nfs/dbraw/zinc/85/25/94/272852594.db2.gz HEOBGRAKMFMBSF-OAHLLOKOSA-N 2 2 371.482 -1.203 20 0 FAADLP C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000418694595 483283989 /nfs/dbraw/zinc/28/39/89/483283989.db2.gz IFWHUNFHOKEHKI-CHWSQXEVSA-N 2 2 362.500 -1.459 20 0 FAADLP C[C@@H]([NH3+])[C@H](C)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000418694596 483283605 /nfs/dbraw/zinc/28/36/05/483283605.db2.gz IFWHUNFHOKEHKI-OLZOCXBDSA-N 2 2 362.500 -1.459 20 0 FAADLP C[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[C@H](C)[NH3+] ZINC000418694597 483284134 /nfs/dbraw/zinc/28/41/34/483284134.db2.gz IFWHUNFHOKEHKI-QWHCGFSZSA-N 2 2 362.500 -1.459 20 0 FAADLP C[C@H]([NH3+])[C@H](C)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000418694598 272853245 /nfs/dbraw/zinc/85/32/45/272853245.db2.gz IFWHUNFHOKEHKI-STQMWFEESA-N 2 2 362.500 -1.459 20 0 FAADLP CC[C@@H]([NH3+])CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000418730752 483285458 /nfs/dbraw/zinc/28/54/58/483285458.db2.gz PEKKJEBOHLJXIK-CYBMUJFWSA-N 2 2 362.500 -1.457 20 0 FAADLP CC[C@H]([NH3+])CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000418730753 483285513 /nfs/dbraw/zinc/28/55/13/483285513.db2.gz PEKKJEBOHLJXIK-ZDUSSCGKSA-N 2 2 362.500 -1.457 20 0 FAADLP [NH3+]CCN(CCO)C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418841937 483286253 /nfs/dbraw/zinc/28/62/53/483286253.db2.gz ZIWXWADRUNWBAZ-INIZCTEOSA-N 2 2 364.446 -1.217 20 0 FAADLP [NH3+]CCN(CCO)C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418841937 483286251 /nfs/dbraw/zinc/28/62/51/483286251.db2.gz ZIWXWADRUNWBAZ-INIZCTEOSA-N 2 2 364.446 -1.217 20 0 FAADLP [NH3+]CCN(CCO)C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418841942 483286265 /nfs/dbraw/zinc/28/62/65/483286265.db2.gz ZIWXWADRUNWBAZ-MRXNPFEDSA-N 2 2 364.446 -1.217 20 0 FAADLP [NH3+]CCN(CCO)C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418841942 483286263 /nfs/dbraw/zinc/28/62/63/483286263.db2.gz ZIWXWADRUNWBAZ-MRXNPFEDSA-N 2 2 364.446 -1.217 20 0 FAADLP O=C(NCCn1cc[nH+]c1)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000418885066 483288100 /nfs/dbraw/zinc/28/81/00/483288100.db2.gz HDGUJCJFXCPSIQ-UHFFFAOYSA-N 2 2 370.435 -2.555 20 0 FAADLP CC(C)Nc1nc(N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)nc(NCCO)[nH+]1 ZINC000418987711 483289351 /nfs/dbraw/zinc/28/93/51/483289351.db2.gz AAPGPQNEQNCPKM-CHWSQXEVSA-N 2 2 353.471 -1.169 20 0 FAADLP CC(C)Nc1nc(N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)nc(NCCO)[nH+]1 ZINC000418987711 483289346 /nfs/dbraw/zinc/28/93/46/483289346.db2.gz AAPGPQNEQNCPKM-CHWSQXEVSA-N 2 2 353.471 -1.169 20 0 FAADLP CC(C)Nc1nc(N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)nc(NCCO)[nH+]1 ZINC000418987712 483288850 /nfs/dbraw/zinc/28/88/50/483288850.db2.gz AAPGPQNEQNCPKM-OLZOCXBDSA-N 2 2 353.471 -1.169 20 0 FAADLP CC(C)Nc1nc(N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)nc(NCCO)[nH+]1 ZINC000418987712 483288846 /nfs/dbraw/zinc/28/88/46/483288846.db2.gz AAPGPQNEQNCPKM-OLZOCXBDSA-N 2 2 353.471 -1.169 20 0 FAADLP CC(C)Nc1nc(N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)nc(NCCO)[nH+]1 ZINC000418987713 483288783 /nfs/dbraw/zinc/28/87/83/483288783.db2.gz AAPGPQNEQNCPKM-QWHCGFSZSA-N 2 2 353.471 -1.169 20 0 FAADLP CC(C)Nc1nc(N2C[C@H](C)[N@H+](CCO)C[C@H]2C)nc(NCCO)[nH+]1 ZINC000418987713 483288774 /nfs/dbraw/zinc/28/87/74/483288774.db2.gz AAPGPQNEQNCPKM-QWHCGFSZSA-N 2 2 353.471 -1.169 20 0 FAADLP CC(C)Nc1nc(N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)nc(NCCO)[nH+]1 ZINC000418987714 483289766 /nfs/dbraw/zinc/28/97/66/483289766.db2.gz AAPGPQNEQNCPKM-STQMWFEESA-N 2 2 353.471 -1.169 20 0 FAADLP CC(C)Nc1nc(N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)nc(NCCO)[nH+]1 ZINC000418987714 483289761 /nfs/dbraw/zinc/28/97/61/483289761.db2.gz AAPGPQNEQNCPKM-STQMWFEESA-N 2 2 353.471 -1.169 20 0 FAADLP CC(C)C[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)[NH+]1CCOCC1 ZINC000419114584 483289495 /nfs/dbraw/zinc/28/94/95/483289495.db2.gz ILWBSVIYBCVLLQ-CABCVRRESA-N 2 2 356.467 -1.046 20 0 FAADLP CC(C)C[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)[NH+]1CCOCC1 ZINC000419114585 483289477 /nfs/dbraw/zinc/28/94/77/483289477.db2.gz ILWBSVIYBCVLLQ-GJZGRUSLSA-N 2 2 356.467 -1.046 20 0 FAADLP CC(C)C[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)[NH+]1CCOCC1 ZINC000419114586 483289805 /nfs/dbraw/zinc/28/98/05/483289805.db2.gz ILWBSVIYBCVLLQ-HUUCEWRRSA-N 2 2 356.467 -1.046 20 0 FAADLP CC(C)C[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)[NH+]1CCOCC1 ZINC000419114587 483288869 /nfs/dbraw/zinc/28/88/69/483288869.db2.gz ILWBSVIYBCVLLQ-LSDHHAIUSA-N 2 2 356.467 -1.046 20 0 FAADLP CC(C)C[C@@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000419120364 272853390 /nfs/dbraw/zinc/85/33/90/272853390.db2.gz QGHIDCAZFIXSDO-INIZCTEOSA-N 2 2 369.510 -1.129 20 0 FAADLP CC(C)C[C@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000419120366 483288969 /nfs/dbraw/zinc/28/89/69/483288969.db2.gz QGHIDCAZFIXSDO-MRXNPFEDSA-N 2 2 369.510 -1.129 20 0 FAADLP CC(C)C[C@H](CNC(=O)C(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)[NH+]1CCOCC1 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C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000423234027 483321539 /nfs/dbraw/zinc/32/15/39/483321539.db2.gz FJCODMVUZQVLBM-HUUCEWRRSA-N 2 2 365.478 -1.038 20 0 FAADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000423234027 483321538 /nfs/dbraw/zinc/32/15/38/483321538.db2.gz FJCODMVUZQVLBM-HUUCEWRRSA-N 2 2 365.478 -1.038 20 0 FAADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000423234028 483321510 /nfs/dbraw/zinc/32/15/10/483321510.db2.gz FJCODMVUZQVLBM-LSDHHAIUSA-N 2 2 365.478 -1.038 20 0 FAADLP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000423234028 483321508 /nfs/dbraw/zinc/32/15/08/483321508.db2.gz FJCODMVUZQVLBM-LSDHHAIUSA-N 2 2 365.478 -1.038 20 0 FAADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000423427375 483322690 /nfs/dbraw/zinc/32/26/90/483322690.db2.gz IXHWBLARZSBTQT-UHFFFAOYSA-N 2 2 353.467 -1.181 20 0 FAADLP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)C[C@H](C)[NH2+]1 ZINC000423427791 483322424 /nfs/dbraw/zinc/32/24/24/483322424.db2.gz JSWCJFFNOZTWQT-KBPBESRZSA-N 2 2 353.467 -1.182 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)C[C@H](C)[NH2+]1 ZINC000423427794 483322328 /nfs/dbraw/zinc/32/23/28/483322328.db2.gz JSWCJFFNOZTWQT-OKILXGFUSA-N 2 2 353.467 -1.182 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)C[C@@H](C)[NH2+]1 ZINC000423427795 483322541 /nfs/dbraw/zinc/32/25/41/483322541.db2.gz JSWCJFFNOZTWQT-ZIAGYGMSSA-N 2 2 353.467 -1.182 20 0 FAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)[C@H](C)C1 ZINC000423534674 483323783 /nfs/dbraw/zinc/32/37/83/483323783.db2.gz AQBRTBBRSZDERO-MCIONIFRSA-N 2 2 352.435 -1.240 20 0 FAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)[C@H](C)C1 ZINC000423534674 483323778 /nfs/dbraw/zinc/32/37/78/483323778.db2.gz AQBRTBBRSZDERO-MCIONIFRSA-N 2 2 352.435 -1.240 20 0 FAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)[C@@H](C)C1 ZINC000423534676 483323714 /nfs/dbraw/zinc/32/37/14/483323714.db2.gz AQBRTBBRSZDERO-MELADBBJSA-N 2 2 352.435 -1.240 20 0 FAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)[C@@H](C)C1 ZINC000423534676 483323709 /nfs/dbraw/zinc/32/37/09/483323709.db2.gz AQBRTBBRSZDERO-MELADBBJSA-N 2 2 352.435 -1.240 20 0 FAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)[C@H](C)C1 ZINC000423537471 483323614 /nfs/dbraw/zinc/32/36/14/483323614.db2.gz KBDFTXCSKCFCKW-CHWSQXEVSA-N 2 2 356.423 -1.732 20 0 FAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)[C@H](C)C1 ZINC000423537471 483323608 /nfs/dbraw/zinc/32/36/08/483323608.db2.gz KBDFTXCSKCFCKW-CHWSQXEVSA-N 2 2 356.423 -1.732 20 0 FAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)[C@H](C)C1 ZINC000423537472 483323696 /nfs/dbraw/zinc/32/36/96/483323696.db2.gz KBDFTXCSKCFCKW-OLZOCXBDSA-N 2 2 356.423 -1.732 20 0 FAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)[C@H](C)C1 ZINC000423537472 483323693 /nfs/dbraw/zinc/32/36/93/483323693.db2.gz KBDFTXCSKCFCKW-OLZOCXBDSA-N 2 2 356.423 -1.732 20 0 FAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)[C@@H](C)C1 ZINC000423537473 483323685 /nfs/dbraw/zinc/32/36/85/483323685.db2.gz KBDFTXCSKCFCKW-QWHCGFSZSA-N 2 2 356.423 -1.732 20 0 FAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)[C@@H](C)C1 ZINC000423537473 483323681 /nfs/dbraw/zinc/32/36/81/483323681.db2.gz KBDFTXCSKCFCKW-QWHCGFSZSA-N 2 2 356.423 -1.732 20 0 FAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)[C@@H](C)C1 ZINC000423537474 483323898 /nfs/dbraw/zinc/32/38/98/483323898.db2.gz KBDFTXCSKCFCKW-STQMWFEESA-N 2 2 356.423 -1.732 20 0 FAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)[C@@H](C)C1 ZINC000423537474 483323893 /nfs/dbraw/zinc/32/38/93/483323893.db2.gz KBDFTXCSKCFCKW-STQMWFEESA-N 2 2 356.423 -1.732 20 0 FAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)[C@@H](C)C1 ZINC000423538371 483323767 /nfs/dbraw/zinc/32/37/67/483323767.db2.gz MPFIAMUVDVBEGK-KBPBESRZSA-N 2 2 370.450 -1.342 20 0 FAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)[C@@H](C)C1 ZINC000423538371 483323762 /nfs/dbraw/zinc/32/37/62/483323762.db2.gz MPFIAMUVDVBEGK-KBPBESRZSA-N 2 2 370.450 -1.342 20 0 FAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)[C@H](C)C1 ZINC000423538372 483323667 /nfs/dbraw/zinc/32/36/67/483323667.db2.gz MPFIAMUVDVBEGK-KGLIPLIRSA-N 2 2 370.450 -1.342 20 0 FAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)[C@H](C)C1 ZINC000423538372 483323662 /nfs/dbraw/zinc/32/36/62/483323662.db2.gz MPFIAMUVDVBEGK-KGLIPLIRSA-N 2 2 370.450 -1.342 20 0 FAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)[C@@H](C)C1 ZINC000423538373 483323911 /nfs/dbraw/zinc/32/39/11/483323911.db2.gz MPFIAMUVDVBEGK-UONOGXRCSA-N 2 2 370.450 -1.342 20 0 FAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)[C@@H](C)C1 ZINC000423538373 483323907 /nfs/dbraw/zinc/32/39/07/483323907.db2.gz MPFIAMUVDVBEGK-UONOGXRCSA-N 2 2 370.450 -1.342 20 0 FAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)[C@H](C)C1 ZINC000423538374 483323651 /nfs/dbraw/zinc/32/36/51/483323651.db2.gz MPFIAMUVDVBEGK-ZIAGYGMSSA-N 2 2 370.450 -1.342 20 0 FAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)[C@H](C)C1 ZINC000423538374 483323647 /nfs/dbraw/zinc/32/36/47/483323647.db2.gz MPFIAMUVDVBEGK-ZIAGYGMSSA-N 2 2 370.450 -1.342 20 0 FAADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000423587684 483325864 /nfs/dbraw/zinc/32/58/64/483325864.db2.gz AECYMNNYLDDNHD-GFCCVEGCSA-N 2 2 372.433 -1.168 20 0 FAADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000423587685 483325938 /nfs/dbraw/zinc/32/59/38/483325938.db2.gz AECYMNNYLDDNHD-LBPRGKRZSA-N 2 2 372.433 -1.168 20 0 FAADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000423602753 483324967 /nfs/dbraw/zinc/32/49/67/483324967.db2.gz CTIKRKWXJWGGOJ-KBPBESRZSA-N 2 2 356.467 -1.012 20 0 FAADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000423602761 483324675 /nfs/dbraw/zinc/32/46/75/483324675.db2.gz CTIKRKWXJWGGOJ-KGLIPLIRSA-N 2 2 356.467 -1.012 20 0 FAADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000423602764 483324237 /nfs/dbraw/zinc/32/42/37/483324237.db2.gz CTIKRKWXJWGGOJ-UONOGXRCSA-N 2 2 356.467 -1.012 20 0 FAADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000423602766 483324486 /nfs/dbraw/zinc/32/44/86/483324486.db2.gz CTIKRKWXJWGGOJ-ZIAGYGMSSA-N 2 2 356.467 -1.012 20 0 FAADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423615745 483325580 /nfs/dbraw/zinc/32/55/80/483325580.db2.gz UPQXRHOCQLTGDX-OKILXGFUSA-N 2 2 354.451 -1.530 20 0 FAADLP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)[C@@H](C)C[NH2+]1 ZINC000423650809 483326726 /nfs/dbraw/zinc/32/67/26/483326726.db2.gz LBBHFXSQJCYVBC-KBPBESRZSA-N 2 2 353.467 -1.182 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)[C@@H](C)C[NH2+]1 ZINC000423650810 483326874 /nfs/dbraw/zinc/32/68/74/483326874.db2.gz LBBHFXSQJCYVBC-KGLIPLIRSA-N 2 2 353.467 -1.182 20 0 FAADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000423650811 483326956 /nfs/dbraw/zinc/32/69/56/483326956.db2.gz LBBHFXSQJCYVBC-UONOGXRCSA-N 2 2 353.467 -1.182 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)[C@H](C)C[NH2+]1 ZINC000423650812 483326485 /nfs/dbraw/zinc/32/64/85/483326485.db2.gz LBBHFXSQJCYVBC-ZIAGYGMSSA-N 2 2 353.467 -1.182 20 0 FAADLP CC[NH+]1CCN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000423653853 483326920 /nfs/dbraw/zinc/32/69/20/483326920.db2.gz AAUOEQZQYROYRY-AWEZNQCLSA-N 2 2 353.467 -1.003 20 0 FAADLP CC[NH+]1CCN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000423653855 483326665 /nfs/dbraw/zinc/32/66/65/483326665.db2.gz AAUOEQZQYROYRY-CQSZACIVSA-N 2 2 353.467 -1.003 20 0 FAADLP CCN1CCN(C(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C[C@H]1c1[nH]cc[nH+]1 ZINC000423686816 483327294 /nfs/dbraw/zinc/32/72/94/483327294.db2.gz UMCDRARKQJMWME-AVGNSLFASA-N 2 2 350.423 -1.594 20 0 FAADLP CCN1CCN(C(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C[C@@H]1c1[nH]cc[nH+]1 ZINC000423686817 483327503 /nfs/dbraw/zinc/32/75/03/483327503.db2.gz UMCDRARKQJMWME-XQQFMLRXSA-N 2 2 350.423 -1.594 20 0 FAADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000423713278 483327660 /nfs/dbraw/zinc/32/76/60/483327660.db2.gz FBVVWVADDXMQSJ-CABCVRRESA-N 2 2 356.467 -1.262 20 0 FAADLP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000423713279 483327705 /nfs/dbraw/zinc/32/77/05/483327705.db2.gz FBVVWVADDXMQSJ-GJZGRUSLSA-N 2 2 356.467 -1.262 20 0 FAADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000423713280 483327437 /nfs/dbraw/zinc/32/74/37/483327437.db2.gz FBVVWVADDXMQSJ-HUUCEWRRSA-N 2 2 356.467 -1.262 20 0 FAADLP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000423713281 483327690 /nfs/dbraw/zinc/32/76/90/483327690.db2.gz FBVVWVADDXMQSJ-LSDHHAIUSA-N 2 2 356.467 -1.262 20 0 FAADLP C[C@@H]1CCCN(C(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)[C@H]1C[NH3+] ZINC000423740068 483328128 /nfs/dbraw/zinc/32/81/28/483328128.db2.gz RPQPZUQFCUVSAQ-ILXRZTDVSA-N 2 2 356.467 -1.276 20 0 FAADLP C[C@@H]1CCCN(C(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)[C@H]1C[NH3+] ZINC000423740071 483328644 /nfs/dbraw/zinc/32/86/44/483328644.db2.gz RPQPZUQFCUVSAQ-KFWWJZLASA-N 2 2 356.467 -1.276 20 0 FAADLP C[C@@H]1CCCN(C(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)[C@@H]1C[NH3+] ZINC000423740074 483328276 /nfs/dbraw/zinc/32/82/76/483328276.db2.gz RPQPZUQFCUVSAQ-QLFBSQMISA-N 2 2 356.467 -1.276 20 0 FAADLP C[C@@H]1CCCN(C(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)[C@@H]1C[NH3+] ZINC000423740077 483328528 /nfs/dbraw/zinc/32/85/28/483328528.db2.gz RPQPZUQFCUVSAQ-RBSFLKMASA-N 2 2 356.467 -1.276 20 0 FAADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000423761613 483328352 /nfs/dbraw/zinc/32/83/52/483328352.db2.gz RTCMDZUAZZEYBH-HNNXBMFYSA-N 2 2 358.439 -1.580 20 0 FAADLP CC(C)[N@H+]1CCO[C@H](C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000424045079 483328077 /nfs/dbraw/zinc/32/80/77/483328077.db2.gz SVTUNYYXVVUOGH-AWEZNQCLSA-N 2 2 360.480 -1.459 20 0 FAADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000424045079 483328074 /nfs/dbraw/zinc/32/80/74/483328074.db2.gz SVTUNYYXVVUOGH-AWEZNQCLSA-N 2 2 360.480 -1.459 20 0 FAADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000424045080 483328334 /nfs/dbraw/zinc/32/83/34/483328334.db2.gz SVTUNYYXVVUOGH-CQSZACIVSA-N 2 2 360.480 -1.459 20 0 FAADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000424045080 483328330 /nfs/dbraw/zinc/32/83/30/483328330.db2.gz SVTUNYYXVVUOGH-CQSZACIVSA-N 2 2 360.480 -1.459 20 0 FAADLP [NH3+][C@@H]1C[C@@H]1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000424129693 483330296 /nfs/dbraw/zinc/33/02/96/483330296.db2.gz GNCKWMNBHFUJFV-QWHCGFSZSA-N 2 2 353.448 -1.003 20 0 FAADLP O=C([C@H]1C[NH2+]CCO1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000424169053 483331336 /nfs/dbraw/zinc/33/13/36/483331336.db2.gz GTXOMPVFCRONPM-CQSZACIVSA-N 2 2 362.434 -1.050 20 0 FAADLP O=C([C@H]1C[NH2+]CCO1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000424169053 483331334 /nfs/dbraw/zinc/33/13/34/483331334.db2.gz GTXOMPVFCRONPM-CQSZACIVSA-N 2 2 362.434 -1.050 20 0 FAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC1 ZINC000424490764 483337707 /nfs/dbraw/zinc/33/77/07/483337707.db2.gz ANCLEACDXOSVLL-AEGPPILISA-N 2 2 364.450 -1.802 20 0 FAADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC1 ZINC000424490765 483337403 /nfs/dbraw/zinc/33/74/03/483337403.db2.gz ANCLEACDXOSVLL-VHDGCEQUSA-N 2 2 364.450 -1.802 20 0 FAADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424520575 483338653 /nfs/dbraw/zinc/33/86/53/483338653.db2.gz KTGRNDUQHRGVQG-AEGPPILISA-N 2 2 364.450 -1.490 20 0 FAADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424520576 483338557 /nfs/dbraw/zinc/33/85/57/483338557.db2.gz KTGRNDUQHRGVQG-VHDGCEQUSA-N 2 2 364.450 -1.490 20 0 FAADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424539445 483339387 /nfs/dbraw/zinc/33/93/87/483339387.db2.gz FFBMJROUSBMGNK-LSDHHAIUSA-N 2 2 364.450 -1.536 20 0 FAADLP COCC[NH+]1CCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC1 ZINC000424550223 483340397 /nfs/dbraw/zinc/34/03/97/483340397.db2.gz SIHKYXKDDHACFG-LSDHHAIUSA-N 2 2 364.450 -1.536 20 0 FAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425393835 483122486 /nfs/dbraw/zinc/12/24/86/483122486.db2.gz VIGWWGBJTLISNY-ARFHVFGLSA-N 2 2 368.478 -1.310 20 0 FAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425393835 483122479 /nfs/dbraw/zinc/12/24/79/483122479.db2.gz VIGWWGBJTLISNY-ARFHVFGLSA-N 2 2 368.478 -1.310 20 0 FAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425393838 483122405 /nfs/dbraw/zinc/12/24/05/483122405.db2.gz VIGWWGBJTLISNY-HRCADAONSA-N 2 2 368.478 -1.310 20 0 FAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425393838 483122399 /nfs/dbraw/zinc/12/23/99/483122399.db2.gz VIGWWGBJTLISNY-HRCADAONSA-N 2 2 368.478 -1.310 20 0 FAADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000425879786 483349691 /nfs/dbraw/zinc/34/96/91/483349691.db2.gz FGKLMBBMHYXLTC-HNNXBMFYSA-N 2 2 369.510 -1.082 20 0 FAADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000425879786 483349688 /nfs/dbraw/zinc/34/96/88/483349688.db2.gz FGKLMBBMHYXLTC-HNNXBMFYSA-N 2 2 369.510 -1.082 20 0 FAADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000425879791 483349601 /nfs/dbraw/zinc/34/96/01/483349601.db2.gz FGKLMBBMHYXLTC-OAHLLOKOSA-N 2 2 369.510 -1.082 20 0 FAADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000425879791 483349599 /nfs/dbraw/zinc/34/95/99/483349599.db2.gz FGKLMBBMHYXLTC-OAHLLOKOSA-N 2 2 369.510 -1.082 20 0 FAADLP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)CC1 ZINC000426041254 483127313 /nfs/dbraw/zinc/12/73/13/483127313.db2.gz YZWXNZWFGBNLGS-UHFFFAOYSA-N 2 2 368.482 -1.212 20 0 FAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)C[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000427337535 482649694 /nfs/dbraw/zinc/64/96/94/482649694.db2.gz MNNGJWMGWHKGTQ-AWEZNQCLSA-N 2 2 359.496 -1.378 20 0 FAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)C[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000427337536 482649614 /nfs/dbraw/zinc/64/96/14/482649614.db2.gz MNNGJWMGWHKGTQ-CQSZACIVSA-N 2 2 359.496 -1.378 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC[N@H+]1CCO ZINC000427413130 483778107 /nfs/dbraw/zinc/77/81/07/483778107.db2.gz LSCHCEZLDGNNLK-CYBMUJFWSA-N 2 2 352.439 -1.092 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC[N@@H+]1CCO ZINC000427413130 483778104 /nfs/dbraw/zinc/77/81/04/483778104.db2.gz LSCHCEZLDGNNLK-CYBMUJFWSA-N 2 2 352.439 -1.092 20 0 FAADLP C[C@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC[N@H+]1CCO ZINC000427413131 483760848 /nfs/dbraw/zinc/76/08/48/483760848.db2.gz LSCHCEZLDGNNLK-ZDUSSCGKSA-N 2 2 352.439 -1.092 20 0 FAADLP C[C@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC[N@@H+]1CCO ZINC000427413131 483760843 /nfs/dbraw/zinc/76/08/43/483760843.db2.gz LSCHCEZLDGNNLK-ZDUSSCGKSA-N 2 2 352.439 -1.092 20 0 FAADLP COc1cnc(N2CC[NH+](CCO)CC2)nc1N1CC[NH+](CCO)CC1 ZINC000427510622 482685401 /nfs/dbraw/zinc/68/54/01/482685401.db2.gz ACVOUNXRVJPYAX-UHFFFAOYSA-N 2 2 366.466 -1.286 20 0 FAADLP C[NH+]1CCN(C(=O)CC[NH+]2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000429674967 483354365 /nfs/dbraw/zinc/35/43/65/483354365.db2.gz ZTSWWGPNBFFPER-UHFFFAOYSA-N 2 2 367.494 -1.373 20 0 FAADLP C[NH+]1CCN(C(=O)CC[NH+]2CCN(C(=O)C(=O)NC3CC3)CC2)CC1 ZINC000429679986 483312032 /nfs/dbraw/zinc/31/20/32/483312032.db2.gz JDEFOOODASPADZ-UHFFFAOYSA-N 2 2 351.451 -1.427 20 0 FAADLP COCCNC(=O)CN1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000429680208 272863872 /nfs/dbraw/zinc/86/38/72/272863872.db2.gz SNMGWJVEBSCVAZ-UHFFFAOYSA-N 2 2 355.483 -1.469 20 0 FAADLP C[NH+]1CCN(C(=O)CC[NH+]2CCN(C(=O)CN3CCOCC3)CC2)CC1 ZINC000429681463 483354645 /nfs/dbraw/zinc/35/46/45/483354645.db2.gz HNAZOTQNGXTJGH-UHFFFAOYSA-N 2 2 367.494 -1.373 20 0 FAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCC[C@@H]3[NH3+])CC2)CC1 ZINC000429697434 483783093 /nfs/dbraw/zinc/78/30/93/483783093.db2.gz MDKQEBCMOKMLEI-KGLIPLIRSA-N 2 2 359.496 -1.250 20 0 FAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)COC3C[NH2+]C3)CC2)CC1 ZINC000429700372 483354160 /nfs/dbraw/zinc/35/41/60/483354160.db2.gz SAJLSSRWOBFPQB-UHFFFAOYSA-N 2 2 361.468 -2.389 20 0 FAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)[C@@]3(C)CC[NH2+]C3)CC2)CC1 ZINC000429704002 483354080 /nfs/dbraw/zinc/35/40/80/483354080.db2.gz OYGOVAAZZODHMO-HNNXBMFYSA-N 2 2 359.496 -1.378 20 0 FAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)[C@]3(C)CC[NH2+]C3)CC2)CC1 ZINC000429704005 272863811 /nfs/dbraw/zinc/86/38/11/272863811.db2.gz OYGOVAAZZODHMO-OAHLLOKOSA-N 2 2 359.496 -1.378 20 0 FAADLP C[N@H+]1CCCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000429822185 483759305 /nfs/dbraw/zinc/75/93/05/483759305.db2.gz QRDPZEBSFCEPKJ-UHFFFAOYSA-N 2 2 364.450 -0.682 20 0 FAADLP C[N@@H+]1CCCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000429822185 483759302 /nfs/dbraw/zinc/75/93/02/483759302.db2.gz QRDPZEBSFCEPKJ-UHFFFAOYSA-N 2 2 364.450 -0.682 20 0 FAADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)C1 ZINC000430621127 483355832 /nfs/dbraw/zinc/35/58/32/483355832.db2.gz CZMGUPOLGKHISY-INIZCTEOSA-N 3 2 369.510 -1.177 20 0 FAADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)CC(=O)N2CC[NH2+]CC2)C1 ZINC000430621127 483355830 /nfs/dbraw/zinc/35/58/30/483355830.db2.gz CZMGUPOLGKHISY-INIZCTEOSA-N 3 2 369.510 -1.177 20 0 FAADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)CC(=O)N2CC[NH2+]CC2)C1 ZINC000430621127 483355829 /nfs/dbraw/zinc/35/58/29/483355829.db2.gz CZMGUPOLGKHISY-INIZCTEOSA-N 3 2 369.510 -1.177 20 0 FAADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)CC(=O)N2CC[NH2+]CC2)C1 ZINC000430621127 483355827 /nfs/dbraw/zinc/35/58/27/483355827.db2.gz CZMGUPOLGKHISY-INIZCTEOSA-N 3 2 369.510 -1.177 20 0 FAADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)C1 ZINC000430621128 483355863 /nfs/dbraw/zinc/35/58/63/483355863.db2.gz CZMGUPOLGKHISY-MRXNPFEDSA-N 3 2 369.510 -1.177 20 0 FAADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)CC(=O)N2CC[NH2+]CC2)C1 ZINC000430621128 483355861 /nfs/dbraw/zinc/35/58/61/483355861.db2.gz CZMGUPOLGKHISY-MRXNPFEDSA-N 3 2 369.510 -1.177 20 0 FAADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)CC(=O)N2CC[NH2+]CC2)C1 ZINC000430621128 483355860 /nfs/dbraw/zinc/35/58/60/483355860.db2.gz CZMGUPOLGKHISY-MRXNPFEDSA-N 3 2 369.510 -1.177 20 0 FAADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)CC(=O)N2CC[NH2+]CC2)C1 ZINC000430621128 483355858 /nfs/dbraw/zinc/35/58/58/483355858.db2.gz CZMGUPOLGKHISY-MRXNPFEDSA-N 3 2 369.510 -1.177 20 0 FAADLP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)CC1 ZINC000430624542 483355587 /nfs/dbraw/zinc/35/55/87/483355587.db2.gz IYCREPUCRJYBDO-UHFFFAOYSA-N 2 2 368.482 -2.418 20 0 FAADLP CN(C)C(=O)CN1CCN(C(=O)C[N@H+](C)CC(=O)N2CC[NH2+]CC2)CC1 ZINC000430624542 483355583 /nfs/dbraw/zinc/35/55/83/483355583.db2.gz IYCREPUCRJYBDO-UHFFFAOYSA-N 2 2 368.482 -2.418 20 0 FAADLP CN(CCCNC(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1)S(C)(=O)=O ZINC000430630112 483355047 /nfs/dbraw/zinc/35/50/47/483355047.db2.gz RGZKBRHDSACEEF-UHFFFAOYSA-N 2 2 363.484 -2.252 20 0 FAADLP CN(CCCNC(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1)S(C)(=O)=O ZINC000430630112 483355045 /nfs/dbraw/zinc/35/50/45/483355045.db2.gz RGZKBRHDSACEEF-UHFFFAOYSA-N 2 2 363.484 -2.252 20 0 FAADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000430634063 483355758 /nfs/dbraw/zinc/35/57/58/483355758.db2.gz BFACQSLXLIUKPI-UHFFFAOYSA-N 2 2 351.451 -1.569 20 0 FAADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000430634063 483355756 /nfs/dbraw/zinc/35/57/56/483355756.db2.gz BFACQSLXLIUKPI-UHFFFAOYSA-N 2 2 351.451 -1.569 20 0 FAADLP C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430638493 483355614 /nfs/dbraw/zinc/35/56/14/483355614.db2.gz NLNIKRNWFDSAPP-HZSPNIEDSA-N 2 2 374.507 -1.193 20 0 FAADLP C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430638493 483355610 /nfs/dbraw/zinc/35/56/10/483355610.db2.gz NLNIKRNWFDSAPP-HZSPNIEDSA-N 2 2 374.507 -1.193 20 0 FAADLP C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430638495 483355748 /nfs/dbraw/zinc/35/57/48/483355748.db2.gz NLNIKRNWFDSAPP-MCIONIFRSA-N 2 2 374.507 -1.193 20 0 FAADLP C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430638495 483355746 /nfs/dbraw/zinc/35/57/46/483355746.db2.gz NLNIKRNWFDSAPP-MCIONIFRSA-N 2 2 374.507 -1.193 20 0 FAADLP C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430638497 483355160 /nfs/dbraw/zinc/35/51/60/483355160.db2.gz NLNIKRNWFDSAPP-MGPQQGTHSA-N 2 2 374.507 -1.193 20 0 FAADLP C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430638497 483355156 /nfs/dbraw/zinc/35/51/56/483355156.db2.gz NLNIKRNWFDSAPP-MGPQQGTHSA-N 2 2 374.507 -1.193 20 0 FAADLP C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430638498 483355533 /nfs/dbraw/zinc/35/55/33/483355533.db2.gz NLNIKRNWFDSAPP-RDBSUJKOSA-N 2 2 374.507 -1.193 20 0 FAADLP C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430638498 483355529 /nfs/dbraw/zinc/35/55/29/483355529.db2.gz NLNIKRNWFDSAPP-RDBSUJKOSA-N 2 2 374.507 -1.193 20 0 FAADLP CC[C@H](C)[C@H](NC(=O)[C@@H]1C[NH2+]CCO1)C(=O)NCC[NH+]1CCOCC1 ZINC000430694806 483356748 /nfs/dbraw/zinc/35/67/48/483356748.db2.gz QZVHCDNXKHAVSK-KKUMJFAQSA-N 2 2 356.467 -1.046 20 0 FAADLP CC[C@H](C)[C@@H](NC(=O)[C@H]1C[NH2+]CCO1)C(=O)NCC[NH+]1CCOCC1 ZINC000430694807 483357076 /nfs/dbraw/zinc/35/70/76/483357076.db2.gz QZVHCDNXKHAVSK-RRFJBIMHSA-N 2 2 356.467 -1.046 20 0 FAADLP CC[C@H](C)[C@@H](NC(=O)[C@@H]1C[NH2+]CCO1)C(=O)NCC[NH+]1CCOCC1 ZINC000430694808 483357170 /nfs/dbraw/zinc/35/71/70/483357170.db2.gz QZVHCDNXKHAVSK-SOUVJXGZSA-N 2 2 356.467 -1.046 20 0 FAADLP CC[C@H](C)[C@H](NC(=O)[C@H]1C[NH2+]CCO1)C(=O)NCC[NH+]1CCOCC1 ZINC000430694809 483357129 /nfs/dbraw/zinc/35/71/29/483357129.db2.gz QZVHCDNXKHAVSK-ZNMIVQPWSA-N 2 2 356.467 -1.046 20 0 FAADLP O=C(CN1CC[NH2+]CC1=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000430701830 483356706 /nfs/dbraw/zinc/35/67/06/483356706.db2.gz XFLCEJLFRGZNEB-UHFFFAOYSA-N 2 2 351.451 -1.521 20 0 FAADLP CC[C@H](C)[C@H](NC(=O)COC1C[NH2+]C1)C(=O)NCC[NH+]1CCOCC1 ZINC000430706956 483356581 /nfs/dbraw/zinc/35/65/81/483356581.db2.gz WESNJRVXNLDOCK-BBRMVZONSA-N 2 2 356.467 -1.046 20 0 FAADLP CC[C@@H](C)[C@H](NC(=O)COC1C[NH2+]C1)C(=O)NCC[NH+]1CCOCC1 ZINC000430706957 483356400 /nfs/dbraw/zinc/35/64/00/483356400.db2.gz WESNJRVXNLDOCK-CJNGLKHVSA-N 2 2 356.467 -1.046 20 0 FAADLP CC[C@@H](C)[C@@H](NC(=O)COC1C[NH2+]C1)C(=O)NCC[NH+]1CCOCC1 ZINC000430706958 483356627 /nfs/dbraw/zinc/35/66/27/483356627.db2.gz WESNJRVXNLDOCK-CZUORRHYSA-N 2 2 356.467 -1.046 20 0 FAADLP CC[C@H](C)[C@@H](NC(=O)COC1C[NH2+]C1)C(=O)NCC[NH+]1CCOCC1 ZINC000430706959 483356903 /nfs/dbraw/zinc/35/69/03/483356903.db2.gz WESNJRVXNLDOCK-XJKSGUPXSA-N 2 2 356.467 -1.046 20 0 FAADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000430746467 483356245 /nfs/dbraw/zinc/35/62/45/483356245.db2.gz QQTDRVXNNMEKRC-UHFFFAOYSA-N 2 2 353.467 -1.179 20 0 FAADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000430746467 483356240 /nfs/dbraw/zinc/35/62/40/483356240.db2.gz QQTDRVXNNMEKRC-UHFFFAOYSA-N 2 2 353.467 -1.179 20 0 FAADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000430763539 483356387 /nfs/dbraw/zinc/35/63/87/483356387.db2.gz QEKKSSSJGYOTHP-UHFFFAOYSA-N 2 2 358.406 -1.556 20 0 FAADLP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CN2CC[NH2+]CC2=O)cn1 ZINC000430789588 483356986 /nfs/dbraw/zinc/35/69/86/483356986.db2.gz VLSRRHKMXMFRDN-UHFFFAOYSA-N 2 2 351.411 -2.069 20 0 FAADLP O=C(C[NH2+]C[C@@H]1CCCO1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000430815669 483356568 /nfs/dbraw/zinc/35/65/68/483356568.db2.gz SCHDGJDBLXKDAQ-CABCVRRESA-N 2 2 354.451 -1.196 20 0 FAADLP O=C(C[NH2+]C[C@@H]1CCCO1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000430815670 483356668 /nfs/dbraw/zinc/35/66/68/483356668.db2.gz SCHDGJDBLXKDAQ-GJZGRUSLSA-N 2 2 354.451 -1.196 20 0 FAADLP O=C(C[NH2+]C[C@H]1CCCO1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000430815671 483356546 /nfs/dbraw/zinc/35/65/46/483356546.db2.gz SCHDGJDBLXKDAQ-HUUCEWRRSA-N 2 2 354.451 -1.196 20 0 FAADLP O=C(C[NH2+]C[C@H]1CCCO1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000430815672 483356561 /nfs/dbraw/zinc/35/65/61/483356561.db2.gz SCHDGJDBLXKDAQ-LSDHHAIUSA-N 2 2 354.451 -1.196 20 0 FAADLP C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000430861115 483356889 /nfs/dbraw/zinc/35/68/89/483356889.db2.gz AJRNBNIDGDXYKC-CABCVRRESA-N 2 2 354.451 -1.244 20 0 FAADLP C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000430861117 483356722 /nfs/dbraw/zinc/35/67/22/483356722.db2.gz AJRNBNIDGDXYKC-GJZGRUSLSA-N 2 2 354.451 -1.244 20 0 FAADLP C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000430861119 483356326 /nfs/dbraw/zinc/35/63/26/483356326.db2.gz AJRNBNIDGDXYKC-HUUCEWRRSA-N 2 2 354.451 -1.244 20 0 FAADLP C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000430861120 483356765 /nfs/dbraw/zinc/35/67/65/483356765.db2.gz AJRNBNIDGDXYKC-LSDHHAIUSA-N 2 2 354.451 -1.244 20 0 FAADLP C[NH+]1CCN(C(=O)Cn2cc(NC(=O)CN3CC[NH2+]CC3=O)cn2)CC1 ZINC000430871747 483357159 /nfs/dbraw/zinc/35/71/59/483357159.db2.gz FLMIAZVWIPMHDK-UHFFFAOYSA-N 2 2 363.422 -1.973 20 0 FAADLP O=C(CN1CC[NH2+]CC1=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000430901898 483356181 /nfs/dbraw/zinc/35/61/81/483356181.db2.gz XBJZYKYCHJZCOG-UHFFFAOYSA-N 2 2 373.457 -1.121 20 0 FAADLP O=C(CN1CC[NH2+]CC1=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000430905630 483356356 /nfs/dbraw/zinc/35/63/56/483356356.db2.gz GIUISDGXLFPSDW-UHFFFAOYSA-N 2 2 374.445 -1.332 20 0 FAADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000431002578 483356517 /nfs/dbraw/zinc/35/65/17/483356517.db2.gz MWYXCVNYJKVDRU-AWEZNQCLSA-N 2 2 351.451 -1.427 20 0 FAADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000431002580 483356596 /nfs/dbraw/zinc/35/65/96/483356596.db2.gz MWYXCVNYJKVDRU-CQSZACIVSA-N 2 2 351.451 -1.427 20 0 FAADLP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)CN3CC[NH2+]CC3=O)CC2)C1 ZINC000431015815 483356817 /nfs/dbraw/zinc/35/68/17/483356817.db2.gz XGTHLSMXEAYQRG-INIZCTEOSA-N 2 2 367.494 -1.328 20 0 FAADLP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)CN3CC[NH2+]CC3=O)CC2)C1 ZINC000431015815 483356811 /nfs/dbraw/zinc/35/68/11/483356811.db2.gz XGTHLSMXEAYQRG-INIZCTEOSA-N 2 2 367.494 -1.328 20 0 FAADLP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)CN3CC[NH2+]CC3=O)CC2)C1 ZINC000431015816 483356939 /nfs/dbraw/zinc/35/69/39/483356939.db2.gz XGTHLSMXEAYQRG-MRXNPFEDSA-N 2 2 367.494 -1.328 20 0 FAADLP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)CN3CC[NH2+]CC3=O)CC2)C1 ZINC000431015816 483356936 /nfs/dbraw/zinc/35/69/36/483356936.db2.gz XGTHLSMXEAYQRG-MRXNPFEDSA-N 2 2 367.494 -1.328 20 0 FAADLP CC(C)[C@H](C[NH3+])C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000433135325 483359867 /nfs/dbraw/zinc/35/98/67/483359867.db2.gz UILDIQAKQMOPKL-AWEZNQCLSA-N 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C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000435243965 483776839 /nfs/dbraw/zinc/77/68/39/483776839.db2.gz BDNMYMPIYQPWPS-AWEZNQCLSA-N 2 2 366.466 -0.438 20 0 FAADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000435243968 483758710 /nfs/dbraw/zinc/75/87/10/483758710.db2.gz BDNMYMPIYQPWPS-CQSZACIVSA-N 2 2 366.466 -0.438 20 0 FAADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000435495054 483366278 /nfs/dbraw/zinc/36/62/78/483366278.db2.gz CWTGCBZZXGWSIH-CVEARBPZSA-N 2 2 357.499 -1.043 20 0 FAADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000435495055 272864293 /nfs/dbraw/zinc/86/42/93/272864293.db2.gz CWTGCBZZXGWSIH-HOTGVXAUSA-N 2 2 357.499 -1.043 20 0 FAADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000435495056 483365939 /nfs/dbraw/zinc/36/59/39/483365939.db2.gz CWTGCBZZXGWSIH-HZPDHXFCSA-N 2 2 357.499 -1.043 20 0 FAADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000435495057 483366243 /nfs/dbraw/zinc/36/62/43/483366243.db2.gz CWTGCBZZXGWSIH-JKSUJKDBSA-N 2 2 357.499 -1.043 20 0 FAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000435578592 483365951 /nfs/dbraw/zinc/36/59/51/483365951.db2.gz MMGPRPLJTBSSMC-HNNXBMFYSA-N 2 2 371.482 -1.515 20 0 FAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000435578595 483366109 /nfs/dbraw/zinc/36/61/09/483366109.db2.gz MMGPRPLJTBSSMC-OAHLLOKOSA-N 2 2 371.482 -1.515 20 0 FAADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH+](CCO)CCO)CC1 ZINC000436202999 483367737 /nfs/dbraw/zinc/36/77/37/483367737.db2.gz MRWFYPYYAVTGSK-UHFFFAOYSA-N 2 2 363.422 -1.702 20 0 FAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000436795375 483759599 /nfs/dbraw/zinc/75/95/99/483759599.db2.gz FKTFBKHPZJVRKM-ZDUSSCGKSA-N 2 2 352.439 -1.092 20 0 FAADLP COC[C@H](CNC(=O)[C@H]1C[NH+](C)CCO1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000438365152 483368299 /nfs/dbraw/zinc/36/82/99/483368299.db2.gz 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370.494 -1.062 20 0 FAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](CCOC)[C@@H](C)C2)CC1 ZINC000459884553 483399134 /nfs/dbraw/zinc/39/91/34/483399134.db2.gz JCNKPJUEDFNNNK-HNNXBMFYSA-N 2 2 356.467 -1.044 20 0 FAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](CCOC)[C@@H](C)C2)CC1 ZINC000459884553 483399130 /nfs/dbraw/zinc/39/91/30/483399130.db2.gz JCNKPJUEDFNNNK-HNNXBMFYSA-N 2 2 356.467 -1.044 20 0 FAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](CCOC)[C@H](C)C2)CC1 ZINC000459884554 483399429 /nfs/dbraw/zinc/39/94/29/483399429.db2.gz JCNKPJUEDFNNNK-OAHLLOKOSA-N 2 2 356.467 -1.044 20 0 FAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](CCOC)[C@H](C)C2)CC1 ZINC000459884554 483399425 /nfs/dbraw/zinc/39/94/25/483399425.db2.gz JCNKPJUEDFNNNK-OAHLLOKOSA-N 2 2 356.467 -1.044 20 0 FAADLP CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[NH+](CCOC)CC2)CC1 ZINC000459885068 483399612 /nfs/dbraw/zinc/39/96/12/483399612.db2.gz KMZRMRSPIGFMCI-HNNXBMFYSA-N 2 2 356.467 -1.308 20 0 FAADLP CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[NH+](CCOC)CC2)CC1 ZINC000459885069 483399561 /nfs/dbraw/zinc/39/95/61/483399561.db2.gz KMZRMRSPIGFMCI-OAHLLOKOSA-N 2 2 356.467 -1.308 20 0 FAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000459885129 483399740 /nfs/dbraw/zinc/39/97/40/483399740.db2.gz LCFDSLVKMREJFX-INIZCTEOSA-N 2 2 368.478 -1.042 20 0 FAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000459885130 483399889 /nfs/dbraw/zinc/39/98/89/483399889.db2.gz LCFDSLVKMREJFX-MRXNPFEDSA-N 2 2 368.478 -1.042 20 0 FAADLP COCC[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)CC1 ZINC000459886495 483400735 /nfs/dbraw/zinc/40/07/35/483400735.db2.gz OEBKBNBRWZYGFF-GASCZTMLSA-N 2 2 356.467 -1.310 20 0 FAADLP COCC[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)CC1 ZINC000459886495 483400731 /nfs/dbraw/zinc/40/07/31/483400731.db2.gz OEBKBNBRWZYGFF-GASCZTMLSA-N 2 2 356.467 -1.310 20 0 FAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000459887157 483400895 /nfs/dbraw/zinc/40/08/95/483400895.db2.gz PSVIGHWAUOXRAT-UHFFFAOYSA-N 2 2 356.467 -1.308 20 0 FAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)CC1 ZINC000459888553 483400404 /nfs/dbraw/zinc/40/04/04/483400404.db2.gz TWOKYKOJGIZMCC-CABCVRRESA-N 2 2 356.467 -1.310 20 0 FAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)CC1 ZINC000459888553 483400400 /nfs/dbraw/zinc/40/04/00/483400400.db2.gz TWOKYKOJGIZMCC-CABCVRRESA-N 2 2 356.467 -1.310 20 0 FAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)CC1 ZINC000459888555 483400628 /nfs/dbraw/zinc/40/06/28/483400628.db2.gz TWOKYKOJGIZMCC-GJZGRUSLSA-N 2 2 356.467 -1.310 20 0 FAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)CC1 ZINC000459888555 483400622 /nfs/dbraw/zinc/40/06/22/483400622.db2.gz TWOKYKOJGIZMCC-GJZGRUSLSA-N 2 2 356.467 -1.310 20 0 FAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)CC1 ZINC000459888556 483400291 /nfs/dbraw/zinc/40/02/91/483400291.db2.gz TWOKYKOJGIZMCC-HUUCEWRRSA-N 2 2 356.467 -1.310 20 0 FAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)CC1 ZINC000459888556 483400289 /nfs/dbraw/zinc/40/02/89/483400289.db2.gz TWOKYKOJGIZMCC-HUUCEWRRSA-N 2 2 356.467 -1.310 20 0 FAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)CC1 ZINC000459888558 483400809 /nfs/dbraw/zinc/40/08/09/483400809.db2.gz TWOKYKOJGIZMCC-LSDHHAIUSA-N 2 2 356.467 -1.310 20 0 FAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)CC1 ZINC000459888558 483400806 /nfs/dbraw/zinc/40/08/06/483400806.db2.gz TWOKYKOJGIZMCC-LSDHHAIUSA-N 2 2 356.467 -1.310 20 0 FAADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000459913916 483400767 /nfs/dbraw/zinc/40/07/67/483400767.db2.gz DKDRHSPKJRDKBW-HNNXBMFYSA-N 2 2 356.467 -1.308 20 0 FAADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC000459913917 483400929 /nfs/dbraw/zinc/40/09/29/483400929.db2.gz DKDRHSPKJRDKBW-OAHLLOKOSA-N 2 2 356.467 -1.308 20 0 FAADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH+](C)C)C2)CC1 ZINC000459920664 483401949 /nfs/dbraw/zinc/40/19/49/483401949.db2.gz NSJVQAFRXIBOEH-HNNXBMFYSA-N 2 2 356.467 -1.044 20 0 FAADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCO[C@H](C[NH+](C)C)C2)CC1 ZINC000459920666 483401242 /nfs/dbraw/zinc/40/12/42/483401242.db2.gz NSJVQAFRXIBOEH-OAHLLOKOSA-N 2 2 356.467 -1.044 20 0 FAADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000459931310 483401602 /nfs/dbraw/zinc/40/16/02/483401602.db2.gz IPKLZFVXELDINU-UHFFFAOYSA-N 2 2 365.478 -1.085 20 0 FAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000459983529 483403173 /nfs/dbraw/zinc/40/31/73/483403173.db2.gz AIFUEZWCUHWXPH-INIZCTEOSA-N 2 2 368.478 -1.308 20 0 FAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000459983532 483403051 /nfs/dbraw/zinc/40/30/51/483403051.db2.gz AIFUEZWCUHWXPH-MRXNPFEDSA-N 2 2 368.478 -1.308 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC(=O)N1 ZINC000459992697 483402442 /nfs/dbraw/zinc/40/24/42/483402442.db2.gz RCYWEWGQCBKPCX-CYBMUJFWSA-N 2 2 353.467 -1.182 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC(=O)N1 ZINC000459992697 483402439 /nfs/dbraw/zinc/40/24/39/483402439.db2.gz RCYWEWGQCBKPCX-CYBMUJFWSA-N 2 2 353.467 -1.182 20 0 FAADLP C[C@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC(=O)N1 ZINC000459992698 483403022 /nfs/dbraw/zinc/40/30/22/483403022.db2.gz RCYWEWGQCBKPCX-ZDUSSCGKSA-N 2 2 353.467 -1.182 20 0 FAADLP C[C@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC(=O)N1 ZINC000459992698 483403020 /nfs/dbraw/zinc/40/30/20/483403020.db2.gz RCYWEWGQCBKPCX-ZDUSSCGKSA-N 2 2 353.467 -1.182 20 0 FAADLP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CC1 ZINC000460011309 483402416 /nfs/dbraw/zinc/40/24/16/483402416.db2.gz HYYLJQRUSZRAEV-HNNXBMFYSA-N 2 2 368.478 -1.165 20 0 FAADLP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CC1 ZINC000460011319 483403270 /nfs/dbraw/zinc/40/32/70/483403270.db2.gz HYYLJQRUSZRAEV-OAHLLOKOSA-N 2 2 368.478 -1.165 20 0 FAADLP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C[C@@H]1C ZINC000460016217 483403346 /nfs/dbraw/zinc/40/33/46/483403346.db2.gz MHFASCZRRCIUKR-HRCADAONSA-N 2 2 368.478 -1.167 20 0 FAADLP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C[C@@H]1C ZINC000460016217 483403344 /nfs/dbraw/zinc/40/33/44/483403344.db2.gz MHFASCZRRCIUKR-HRCADAONSA-N 2 2 368.478 -1.167 20 0 FAADLP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C[C@@H]1C ZINC000460016218 483403302 /nfs/dbraw/zinc/40/33/02/483403302.db2.gz MHFASCZRRCIUKR-JYJNAYRXSA-N 2 2 368.478 -1.167 20 0 FAADLP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C[C@@H]1C ZINC000460016218 483403299 /nfs/dbraw/zinc/40/32/99/483403299.db2.gz MHFASCZRRCIUKR-JYJNAYRXSA-N 2 2 368.478 -1.167 20 0 FAADLP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C[C@H]1C ZINC000460016219 483402519 /nfs/dbraw/zinc/40/25/19/483402519.db2.gz MHFASCZRRCIUKR-OWCLPIDISA-N 2 2 368.478 -1.167 20 0 FAADLP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C[C@H]1C ZINC000460016219 483402512 /nfs/dbraw/zinc/40/25/12/483402512.db2.gz MHFASCZRRCIUKR-OWCLPIDISA-N 2 2 368.478 -1.167 20 0 FAADLP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C[C@H]1C ZINC000460016220 483402803 /nfs/dbraw/zinc/40/28/03/483402803.db2.gz MHFASCZRRCIUKR-PMPSAXMXSA-N 2 2 368.478 -1.167 20 0 FAADLP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C[C@H]1C ZINC000460016220 483402799 /nfs/dbraw/zinc/40/27/99/483402799.db2.gz MHFASCZRRCIUKR-PMPSAXMXSA-N 2 2 368.478 -1.167 20 0 FAADLP CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CC1 ZINC000460027408 483404415 /nfs/dbraw/zinc/40/44/15/483404415.db2.gz VOUHOUMYJMGDJS-CVEARBPZSA-N 2 2 368.478 -1.165 20 0 FAADLP CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CC1 ZINC000460027409 483404345 /nfs/dbraw/zinc/40/43/45/483404345.db2.gz VOUHOUMYJMGDJS-HOTGVXAUSA-N 2 2 368.478 -1.165 20 0 FAADLP CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CC1 ZINC000460027410 483404366 /nfs/dbraw/zinc/40/43/66/483404366.db2.gz VOUHOUMYJMGDJS-HZPDHXFCSA-N 2 2 368.478 -1.165 20 0 FAADLP CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CC1 ZINC000460027411 483403814 /nfs/dbraw/zinc/40/38/14/483403814.db2.gz VOUHOUMYJMGDJS-JKSUJKDBSA-N 2 2 368.478 -1.165 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C[C@H](C)[N@@H+]1CCO ZINC000460028778 483404436 /nfs/dbraw/zinc/40/44/36/483404436.db2.gz WPRSWEVXFLMOSI-OWCLPIDISA-N 2 2 368.478 -1.167 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C[C@H](C)[N@H+]1CCO ZINC000460028778 483404434 /nfs/dbraw/zinc/40/44/34/483404434.db2.gz WPRSWEVXFLMOSI-OWCLPIDISA-N 2 2 368.478 -1.167 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C[C@H](C)[N@@H+]1CCO ZINC000460028780 483403738 /nfs/dbraw/zinc/40/37/38/483403738.db2.gz WPRSWEVXFLMOSI-XHSDSOJGSA-N 2 2 368.478 -1.167 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C[C@H](C)[N@H+]1CCO ZINC000460028780 483403736 /nfs/dbraw/zinc/40/37/36/483403736.db2.gz WPRSWEVXFLMOSI-XHSDSOJGSA-N 2 2 368.478 -1.167 20 0 FAADLP C[N@H+]1CC[C@](O)(CNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000460246600 483403790 /nfs/dbraw/zinc/40/37/90/483403790.db2.gz JQGTUIMKODWLKF-KRWDZBQOSA-N 2 2 363.466 -1.036 20 0 FAADLP C[N@@H+]1CC[C@](O)(CNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000460246600 483403788 /nfs/dbraw/zinc/40/37/88/483403788.db2.gz JQGTUIMKODWLKF-KRWDZBQOSA-N 2 2 363.466 -1.036 20 0 FAADLP C[N@H+]1CC[C@@](O)(CNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000460246601 483404270 /nfs/dbraw/zinc/40/42/70/483404270.db2.gz JQGTUIMKODWLKF-QGZVFWFLSA-N 2 2 363.466 -1.036 20 0 FAADLP C[N@@H+]1CC[C@@](O)(CNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000460246601 483404266 /nfs/dbraw/zinc/40/42/66/483404266.db2.gz JQGTUIMKODWLKF-QGZVFWFLSA-N 2 2 363.466 -1.036 20 0 FAADLP C[NH+]1CCN(C(=O)CCNS(=O)(=O)CCC[NH+]2CCOCC2)CC1 ZINC000463349358 483408856 /nfs/dbraw/zinc/40/88/56/483408856.db2.gz MDSXNSGQVPCAIX-UHFFFAOYSA-N 2 2 362.496 -1.208 20 0 FAADLP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)CC1 ZINC000465532228 483411257 /nfs/dbraw/zinc/41/12/57/483411257.db2.gz UGPGHVFSJYNMQC-KRWDZBQOSA-N 2 2 371.482 -1.467 20 0 FAADLP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)CC1 ZINC000465532229 483411546 /nfs/dbraw/zinc/41/15/46/483411546.db2.gz UGPGHVFSJYNMQC-QGZVFWFLSA-N 2 2 371.482 -1.467 20 0 FAADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN(CC[NH3+])CCO)CC1 ZINC000466991276 483412691 /nfs/dbraw/zinc/41/26/91/483412691.db2.gz GEBVHGOVZIQGIW-UHFFFAOYSA-N 2 2 362.438 -1.735 20 0 FAADLP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000467695816 483413705 /nfs/dbraw/zinc/41/37/05/483413705.db2.gz GMMHENSIDWNVFJ-INIZCTEOSA-N 2 2 369.510 -1.129 20 0 FAADLP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000467695817 483413843 /nfs/dbraw/zinc/41/38/43/483413843.db2.gz GMMHENSIDWNVFJ-MRXNPFEDSA-N 2 2 369.510 -1.129 20 0 FAADLP CNc1nc(N2CC[NH+](CCO)CC2)nc(N2CC[NH+](CCO)CC2)n1 ZINC000467711842 483414011 /nfs/dbraw/zinc/41/40/11/483414011.db2.gz FEUTXRYRHQLFDC-UHFFFAOYSA-N 2 2 366.470 -2.436 20 0 FAADLP C[NH+]1CCC(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000468491309 483416852 /nfs/dbraw/zinc/41/68/52/483416852.db2.gz FPNQOOVSEAUIAD-UHFFFAOYSA-N 2 2 373.523 -1.035 20 0 FAADLP CC[NH+]1CCN(CC(=O)N(CC[NH+]2CCOCC2)CC(=O)OC)CC1 ZINC000469254217 483419229 /nfs/dbraw/zinc/41/92/29/483419229.db2.gz WPROEHAQOAWJCR-UHFFFAOYSA-N 2 2 356.467 -1.042 20 0 FAADLP COC[C@](C)(CNC(=O)[C@H]1C[NH+](C)CCO1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000469512215 483419428 /nfs/dbraw/zinc/41/94/28/483419428.db2.gz ONUULQYVBTVKTJ-CPUCHLNUSA-N 2 2 372.466 -1.715 20 0 FAADLP COC[C@](C)(CNC(=O)[C@H]1C[NH+](C)CCO1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000469512215 483419423 /nfs/dbraw/zinc/41/94/23/483419423.db2.gz ONUULQYVBTVKTJ-CPUCHLNUSA-N 2 2 372.466 -1.715 20 0 FAADLP COC[C@](C)(CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)[C@H]1C[NH+](C)CCO1 ZINC000469512215 483419418 /nfs/dbraw/zinc/41/94/18/483419418.db2.gz ONUULQYVBTVKTJ-CPUCHLNUSA-N 2 2 372.466 -1.715 20 0 FAADLP COC[C@](C)(CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)[C@H]1C[NH+](C)CCO1 ZINC000469512215 483419413 /nfs/dbraw/zinc/41/94/13/483419413.db2.gz ONUULQYVBTVKTJ-CPUCHLNUSA-N 2 2 372.466 -1.715 20 0 FAADLP COC[C@](C)(CNC(=O)[C@H]1C[NH+](C)CCO1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000469512216 483419529 /nfs/dbraw/zinc/41/95/29/483419529.db2.gz ONUULQYVBTVKTJ-KEYYUXOJSA-N 2 2 372.466 -1.715 20 0 FAADLP COC[C@](C)(CNC(=O)[C@H]1C[NH+](C)CCO1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000469512216 483419524 /nfs/dbraw/zinc/41/95/24/483419524.db2.gz ONUULQYVBTVKTJ-KEYYUXOJSA-N 2 2 372.466 -1.715 20 0 FAADLP COC[C@](C)(CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000469512216 483419519 /nfs/dbraw/zinc/41/95/19/483419519.db2.gz ONUULQYVBTVKTJ-KEYYUXOJSA-N 2 2 372.466 -1.715 20 0 FAADLP COC[C@](C)(CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000469512216 483419515 /nfs/dbraw/zinc/41/95/15/483419515.db2.gz ONUULQYVBTVKTJ-KEYYUXOJSA-N 2 2 372.466 -1.715 20 0 FAADLP COC[C@](C)(CNC(=O)[C@@H]1C[NH+](C)CCO1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000469512217 483419339 /nfs/dbraw/zinc/41/93/39/483419339.db2.gz ONUULQYVBTVKTJ-VBQJREDUSA-N 2 2 372.466 -1.715 20 0 FAADLP COC[C@](C)(CNC(=O)[C@@H]1C[NH+](C)CCO1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000469512217 483419335 /nfs/dbraw/zinc/41/93/35/483419335.db2.gz ONUULQYVBTVKTJ-VBQJREDUSA-N 2 2 372.466 -1.715 20 0 FAADLP COC[C@](C)(CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)[C@H]1C[NH+](C)CCO1 ZINC000469512217 483419332 /nfs/dbraw/zinc/41/93/32/483419332.db2.gz ONUULQYVBTVKTJ-VBQJREDUSA-N 2 2 372.466 -1.715 20 0 FAADLP COC[C@](C)(CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)[C@H]1C[NH+](C)CCO1 ZINC000469512217 483419327 /nfs/dbraw/zinc/41/93/27/483419327.db2.gz ONUULQYVBTVKTJ-VBQJREDUSA-N 2 2 372.466 -1.715 20 0 FAADLP COC[C@](C)(CNC(=O)[C@@H]1C[NH+](C)CCO1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000469512218 483419388 /nfs/dbraw/zinc/41/93/88/483419388.db2.gz ONUULQYVBTVKTJ-ZQIUZPCESA-N 2 2 372.466 -1.715 20 0 FAADLP COC[C@](C)(CNC(=O)[C@@H]1C[NH+](C)CCO1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000469512218 483419383 /nfs/dbraw/zinc/41/93/83/483419383.db2.gz ONUULQYVBTVKTJ-ZQIUZPCESA-N 2 2 372.466 -1.715 20 0 FAADLP COC[C@](C)(CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000469512218 483419379 /nfs/dbraw/zinc/41/93/79/483419379.db2.gz ONUULQYVBTVKTJ-ZQIUZPCESA-N 2 2 372.466 -1.715 20 0 FAADLP COC[C@](C)(CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000469512218 483419376 /nfs/dbraw/zinc/41/93/76/483419376.db2.gz ONUULQYVBTVKTJ-ZQIUZPCESA-N 2 2 372.466 -1.715 20 0 FAADLP CC[NH+]1CCN(CC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000469546618 483420530 /nfs/dbraw/zinc/42/05/30/483420530.db2.gz HGQOMFVELPIIKN-INIZCTEOSA-N 2 2 367.494 -1.327 20 0 FAADLP CC[NH+]1CCN(CC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000469546619 483420770 /nfs/dbraw/zinc/42/07/70/483420770.db2.gz HGQOMFVELPIIKN-MRXNPFEDSA-N 2 2 367.494 -1.327 20 0 FAADLP C[NH+](C)CCN1C[C@@H](C(=O)NCC(=O)NCC[NH+]2CCOCC2)CC1=O ZINC000469960707 483420970 /nfs/dbraw/zinc/42/09/70/483420970.db2.gz BHIBVOWLEICASK-AWEZNQCLSA-N 2 2 369.466 -2.039 20 0 FAADLP C[NH+](C)CCN1C[C@H](C(=O)NCC(=O)NCC[NH+]2CCOCC2)CC1=O ZINC000469960708 483422104 /nfs/dbraw/zinc/42/21/04/483422104.db2.gz BHIBVOWLEICASK-CQSZACIVSA-N 2 2 369.466 -2.039 20 0 FAADLP [NH3+]CC(=O)NCC(=O)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000470452645 483423908 /nfs/dbraw/zinc/42/39/08/483423908.db2.gz QYHBKOGOLSXTSQ-UHFFFAOYSA-N 2 2 363.418 -1.238 20 0 FAADLP [NH3+]CC(=O)NCC(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000470478349 483424368 /nfs/dbraw/zinc/42/43/68/483424368.db2.gz VCKJDFMUIUAYSJ-UHFFFAOYSA-N 2 2 353.467 -1.098 20 0 FAADLP CC[C@@H](C)[C@H](NC(=O)CNC(=O)C[NH3+])C(=O)NCC[NH+]1CCOCC1 ZINC000470482008 483423514 /nfs/dbraw/zinc/42/35/14/483423514.db2.gz KYUKZYAOVPAOOI-DOMZBBRYSA-N 2 2 357.455 -1.959 20 0 FAADLP CC[C@@H](C)[C@@H](NC(=O)CNC(=O)C[NH3+])C(=O)NCC[NH+]1CCOCC1 ZINC000470482009 483424317 /nfs/dbraw/zinc/42/43/17/483424317.db2.gz KYUKZYAOVPAOOI-IUODEOHRSA-N 2 2 357.455 -1.959 20 0 FAADLP CC[C@H](C)[C@@H](NC(=O)CNC(=O)C[NH3+])C(=O)NCC[NH+]1CCOCC1 ZINC000470482010 272876312 /nfs/dbraw/zinc/87/63/12/272876312.db2.gz KYUKZYAOVPAOOI-SWLSCSKDSA-N 2 2 357.455 -1.959 20 0 FAADLP CC[C@H](C)[C@H](NC(=O)CNC(=O)C[NH3+])C(=O)NCC[NH+]1CCOCC1 ZINC000470482011 483423809 /nfs/dbraw/zinc/42/38/09/483423809.db2.gz KYUKZYAOVPAOOI-WFASDCNBSA-N 2 2 357.455 -1.959 20 0 FAADLP O=C(N1CC[NH+](CCO)CC1)C1(C(=O)N2CC[NH+](CCO)CC2)CCC1 ZINC000474084424 483430802 /nfs/dbraw/zinc/43/08/02/483430802.db2.gz RLSDSJHHRGOZFV-UHFFFAOYSA-N 2 2 368.478 -1.570 20 0 FAADLP Cc1nc(N2CC[NH+](CCO)CC2)nc(N2CC[NH+](CCO)CC2)n1 ZINC000476123426 483434706 /nfs/dbraw/zinc/43/47/06/483434706.db2.gz VZCBPFULRYHTPF-UHFFFAOYSA-N 2 2 351.455 -1.591 20 0 FAADLP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000477027622 658419286 /nfs/dbraw/zinc/41/92/86/658419286.db2.gz KWZHZQSMAQPNSA-CABCVRRESA-N 2 2 358.483 -1.016 20 0 FAADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000477027623 658418941 /nfs/dbraw/zinc/41/89/41/658418941.db2.gz KWZHZQSMAQPNSA-GJZGRUSLSA-N 2 2 358.483 -1.016 20 0 FAADLP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000477027624 658419082 /nfs/dbraw/zinc/41/90/82/658419082.db2.gz KWZHZQSMAQPNSA-HUUCEWRRSA-N 2 2 358.483 -1.016 20 0 FAADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000477027625 483765080 /nfs/dbraw/zinc/76/50/80/483765080.db2.gz KWZHZQSMAQPNSA-LSDHHAIUSA-N 2 2 358.483 -1.016 20 0 FAADLP C[NH+](C)CCN1C[C@H](C(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)CC1=O ZINC000477363738 483438259 /nfs/dbraw/zinc/43/82/59/483438259.db2.gz URIJVUFIVWAFOS-CYBMUJFWSA-N 2 2 353.467 -1.195 20 0 FAADLP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)CC1=O ZINC000477363749 483438032 /nfs/dbraw/zinc/43/80/32/483438032.db2.gz URIJVUFIVWAFOS-ZDUSSCGKSA-N 2 2 353.467 -1.195 20 0 FAADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CCO[C@H](C[NH3+])C2)CC1 ZINC000478265454 483441408 /nfs/dbraw/zinc/44/14/08/483441408.db2.gz GEGCFEHUNFMKHZ-CYBMUJFWSA-N 2 2 374.449 -1.329 20 0 FAADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CCO[C@@H](C[NH3+])C2)CC1 ZINC000478265467 483440660 /nfs/dbraw/zinc/44/06/60/483440660.db2.gz GEGCFEHUNFMKHZ-ZDUSSCGKSA-N 2 2 374.449 -1.329 20 0 FAADLP C[C@H](C(=O)N1CC[NH+](CCO)CC1)[C@H](C)C(=O)N1CC[NH+](CCO)CC1 ZINC000478908453 483441086 /nfs/dbraw/zinc/44/10/86/483441086.db2.gz ZPVWOGLUWFLRJN-HOTGVXAUSA-N 2 2 370.494 -1.468 20 0 FAADLP C[C@@H](C(=O)N1CC[NH+](CCO)CC1)[C@@H](C)C(=O)N1CC[NH+](CCO)CC1 ZINC000478908456 483440989 /nfs/dbraw/zinc/44/09/89/483440989.db2.gz ZPVWOGLUWFLRJN-HZPDHXFCSA-N 2 2 370.494 -1.468 20 0 FAADLP C[C@@H](C(=O)N1CC[NH+](CCO)CC1)[C@H](C)C(=O)N1CC[NH+](CCO)CC1 ZINC000478908458 483441028 /nfs/dbraw/zinc/44/10/28/483441028.db2.gz ZPVWOGLUWFLRJN-IYBDPMFKSA-N 2 2 370.494 -1.468 20 0 FAADLP CC[C@@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[NH+](C)C ZINC000479632021 483442609 /nfs/dbraw/zinc/44/26/09/483442609.db2.gz DJCFURZXCRKIEW-AWEZNQCLSA-N 2 2 361.512 -1.037 20 0 FAADLP CC[C@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[NH+](C)C ZINC000479632022 483442198 /nfs/dbraw/zinc/44/21/98/483442198.db2.gz DJCFURZXCRKIEW-CQSZACIVSA-N 2 2 361.512 -1.037 20 0 FAADLP Cc1nc(NC[C@](C)(O)C[NH+](C)C)nc(NC[C@](C)(O)C[NH+](C)C)[nH+]1 ZINC000480442627 483444692 /nfs/dbraw/zinc/44/46/92/483444692.db2.gz IVRIPTNKKFOEGX-HOTGVXAUSA-N 3 2 355.487 -1.527 20 0 FAADLP Cc1nc(NC[C@@](C)(O)C[NH+](C)C)nc(NC[C@@](C)(O)C[NH+](C)C)[nH+]1 ZINC000480442635 483443981 /nfs/dbraw/zinc/44/39/81/483443981.db2.gz IVRIPTNKKFOEGX-HZPDHXFCSA-N 3 2 355.487 -1.527 20 0 FAADLP Cc1nc(NC[C@](C)(O)C[NH+](C)C)nc(NC[C@@](C)(O)C[NH+](C)C)[nH+]1 ZINC000480442637 483444374 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RPDSIDXPMROCDW-ZIAGYGMSSA-N 2 2 351.451 -1.394 20 0 FAADLP NC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000486471539 483458890 /nfs/dbraw/zinc/45/88/90/483458890.db2.gz RPDSIDXPMROCDW-ZIAGYGMSSA-N 2 2 351.451 -1.394 20 0 FAADLP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[NH+](CCn3cncn3)CC2)CC1=O ZINC000487558436 483462193 /nfs/dbraw/zinc/46/21/93/483462193.db2.gz KTMUBHLNXNAGHQ-HNNXBMFYSA-N 2 2 363.466 -1.168 20 0 FAADLP C[NH+](C)CCN1C[C@H](C(=O)N2CC[NH+](CCn3cncn3)CC2)CC1=O ZINC000487558442 483461725 /nfs/dbraw/zinc/46/17/25/483461725.db2.gz KTMUBHLNXNAGHQ-OAHLLOKOSA-N 2 2 363.466 -1.168 20 0 FAADLP CS(=O)(=O)N[C@@H]1CC[NH+](CCC[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000489290818 483466780 /nfs/dbraw/zinc/46/67/80/483466780.db2.gz NCUOUUYTJKQFIM-CHWSQXEVSA-N 2 2 368.525 -1.377 20 0 FAADLP CS(=O)(=O)N[C@@H]1CC[NH+](CCC[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000489290818 483466776 /nfs/dbraw/zinc/46/67/76/483466776.db2.gz NCUOUUYTJKQFIM-CHWSQXEVSA-N 2 2 368.525 -1.377 20 0 FAADLP CS(=O)(=O)N[C@H]1CC[NH+](CCC[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000489290820 483465974 /nfs/dbraw/zinc/46/59/74/483465974.db2.gz NCUOUUYTJKQFIM-STQMWFEESA-N 2 2 368.525 -1.377 20 0 FAADLP CS(=O)(=O)N[C@H]1CC[NH+](CCC[N@H+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000489290820 483465970 /nfs/dbraw/zinc/46/59/70/483465970.db2.gz NCUOUUYTJKQFIM-STQMWFEESA-N 2 2 368.525 -1.377 20 0 FAADLP C[C@@H]1C[NH+](CCOCC[N@@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)C[C@H](C(N)=O)O1 ZINC000489353298 483466651 /nfs/dbraw/zinc/46/66/51/483466651.db2.gz FXNGBRQPJHEWGX-AAVRWANBSA-N 2 2 358.439 -1.848 20 0 FAADLP C[C@@H]1C[NH+](CCOCC[N@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)C[C@H](C(N)=O)O1 ZINC000489353298 483466648 /nfs/dbraw/zinc/46/66/48/483466648.db2.gz FXNGBRQPJHEWGX-AAVRWANBSA-N 2 2 358.439 -1.848 20 0 FAADLP C[C@@H]1C[NH+](CCOCC[N@@H+]2C[C@@H](C)O[C@H](C(N)=O)C2)C[C@@H](C(N)=O)O1 ZINC000489353299 483466720 /nfs/dbraw/zinc/46/67/20/483466720.db2.gz FXNGBRQPJHEWGX-MQYQWHSLSA-N 2 2 358.439 -1.848 20 0 FAADLP C[C@@H]1C[NH+](CCOCC[N@H+]2C[C@@H](C)O[C@H](C(N)=O)C2)C[C@@H](C(N)=O)O1 ZINC000489353299 483466717 /nfs/dbraw/zinc/46/67/17/483466717.db2.gz FXNGBRQPJHEWGX-MQYQWHSLSA-N 2 2 358.439 -1.848 20 0 FAADLP C[C@@H]1C[NH+](CCOCC[N@H+]2C[C@@H](C)O[C@H](C(N)=O)C2)C[C@H](C(N)=O)O1 ZINC000489353300 483466051 /nfs/dbraw/zinc/46/60/51/483466051.db2.gz FXNGBRQPJHEWGX-SYQHCUMBSA-N 2 2 358.439 -1.848 20 0 FAADLP C[C@@H]1C[NH+](CCOCC[N@@H+]2C[C@@H](C)O[C@H](C(N)=O)C2)C[C@H](C(N)=O)O1 ZINC000489353300 483466044 /nfs/dbraw/zinc/46/60/44/483466044.db2.gz FXNGBRQPJHEWGX-SYQHCUMBSA-N 2 2 358.439 -1.848 20 0 FAADLP C[C@@H]1C[N@@H+](CCOCC[NH+]2C[C@@H](C)O[C@H](C(N)=O)C2)C[C@H](C(N)=O)O1 ZINC000489353300 483466039 /nfs/dbraw/zinc/46/60/39/483466039.db2.gz FXNGBRQPJHEWGX-SYQHCUMBSA-N 2 2 358.439 -1.848 20 0 FAADLP C[C@@H]1C[N@H+](CCOCC[NH+]2C[C@@H](C)O[C@H](C(N)=O)C2)C[C@H](C(N)=O)O1 ZINC000489353300 483466035 /nfs/dbraw/zinc/46/60/35/483466035.db2.gz FXNGBRQPJHEWGX-SYQHCUMBSA-N 2 2 358.439 -1.848 20 0 FAADLP NS(=O)(=O)C[C@H]1CCC[NH+]1CCC[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000489661882 483466114 /nfs/dbraw/zinc/46/61/14/483466114.db2.gz ZBSMLXRCZXWQRJ-BETUJISGSA-N 2 2 368.525 -1.118 20 0 FAADLP NS(=O)(=O)C[C@H]1CCC[NH+]1CCC[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000489661882 483466108 /nfs/dbraw/zinc/46/61/08/483466108.db2.gz ZBSMLXRCZXWQRJ-BETUJISGSA-N 2 2 368.525 -1.118 20 0 FAADLP NS(=O)(=O)C[C@H]1CCC[N@@H+]1CCC[NH+]1CCC[C@H]1CS(N)(=O)=O ZINC000489661882 483466102 /nfs/dbraw/zinc/46/61/02/483466102.db2.gz ZBSMLXRCZXWQRJ-BETUJISGSA-N 2 2 368.525 -1.118 20 0 FAADLP NS(=O)(=O)C[C@H]1CCC[NH+]1CCC[N@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000489661883 483465891 /nfs/dbraw/zinc/46/58/91/483465891.db2.gz ZBSMLXRCZXWQRJ-CHWSQXEVSA-N 2 2 368.525 -1.118 20 0 FAADLP NS(=O)(=O)C[C@@H]1CCC[NH+]1CCC[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000489661885 483466492 /nfs/dbraw/zinc/46/64/92/483466492.db2.gz ZBSMLXRCZXWQRJ-STQMWFEESA-N 2 2 368.525 -1.118 20 0 FAADLP COCC[NH+]1CCN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000496359924 483475869 /nfs/dbraw/zinc/47/58/69/483475869.db2.gz LNNDWPWDYGDCCU-UHFFFAOYSA-N 2 2 369.510 -1.081 20 0 FAADLP COCC[NH+]1CCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000496359924 483475868 /nfs/dbraw/zinc/47/58/68/483475868.db2.gz LNNDWPWDYGDCCU-UHFFFAOYSA-N 2 2 369.510 -1.081 20 0 FAADLP C[C@H]1COCC[NH+]1CCNC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000496393230 483475937 /nfs/dbraw/zinc/47/59/37/483475937.db2.gz GLLYCNWPONTVOG-HNNXBMFYSA-N 2 2 369.510 -1.035 20 0 FAADLP C[C@H]1COCC[NH+]1CCNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000496393230 483475934 /nfs/dbraw/zinc/47/59/34/483475934.db2.gz GLLYCNWPONTVOG-HNNXBMFYSA-N 2 2 369.510 -1.035 20 0 FAADLP C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000496393230 483475929 /nfs/dbraw/zinc/47/59/29/483475929.db2.gz GLLYCNWPONTVOG-HNNXBMFYSA-N 2 2 369.510 -1.035 20 0 FAADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000496393230 483475927 /nfs/dbraw/zinc/47/59/27/483475927.db2.gz GLLYCNWPONTVOG-HNNXBMFYSA-N 2 2 369.510 -1.035 20 0 FAADLP C[C@@H]1COCC[NH+]1CCNC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000496393231 483475395 /nfs/dbraw/zinc/47/53/95/483475395.db2.gz GLLYCNWPONTVOG-OAHLLOKOSA-N 2 2 369.510 -1.035 20 0 FAADLP C[C@@H]1COCC[NH+]1CCNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000496393231 483475390 /nfs/dbraw/zinc/47/53/90/483475390.db2.gz GLLYCNWPONTVOG-OAHLLOKOSA-N 2 2 369.510 -1.035 20 0 FAADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000496393231 483475389 /nfs/dbraw/zinc/47/53/89/483475389.db2.gz GLLYCNWPONTVOG-OAHLLOKOSA-N 2 2 369.510 -1.035 20 0 FAADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000496393231 483475385 /nfs/dbraw/zinc/47/53/85/483475385.db2.gz GLLYCNWPONTVOG-OAHLLOKOSA-N 2 2 369.510 -1.035 20 0 FAADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000496396747 483475749 /nfs/dbraw/zinc/47/57/49/483475749.db2.gz ULFKWQGCNKUVLT-UHFFFAOYSA-N 2 2 369.510 -1.081 20 0 FAADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000496396747 483475746 /nfs/dbraw/zinc/47/57/46/483475746.db2.gz ULFKWQGCNKUVLT-UHFFFAOYSA-N 2 2 369.510 -1.081 20 0 FAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)[C@H]([NH3+])CC(N)=O)CC2)CC1 ZINC000497778629 482784883 /nfs/dbraw/zinc/78/48/83/482784883.db2.gz MBEHTMXKCSCMSM-LLVKDONJSA-N 2 2 362.456 -3.175 20 0 FAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)[C@@H]([NH3+])CC(N)=O)CC2)CC1 ZINC000497778630 482784691 /nfs/dbraw/zinc/78/46/91/482784691.db2.gz MBEHTMXKCSCMSM-NSHDSACASA-N 2 2 362.456 -3.175 20 0 FAADLP NC(=O)C[C@H]([NH3+])C(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000498066544 483126780 /nfs/dbraw/zinc/12/67/80/483126780.db2.gz HJVZBJBUFGLJQG-AWEZNQCLSA-N 2 2 365.409 -1.098 20 0 FAADLP NC(=O)C[C@@H]([NH3+])C(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000498066545 483127492 /nfs/dbraw/zinc/12/74/92/483127492.db2.gz HJVZBJBUFGLJQG-CQSZACIVSA-N 2 2 365.409 -1.098 20 0 FAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)[C@H]([NH3+])CC(F)F)CC2)CC1 ZINC000498198138 483407177 /nfs/dbraw/zinc/40/71/77/483407177.db2.gz JBDLOCIKYYXKJB-LLVKDONJSA-N 2 2 369.438 -1.395 20 0 FAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)[C@@H]([NH3+])CC(F)F)CC2)CC1 ZINC000498198139 483407030 /nfs/dbraw/zinc/40/70/30/483407030.db2.gz JBDLOCIKYYXKJB-NSHDSACASA-N 2 2 369.438 -1.395 20 0 FAADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000498438891 483449839 /nfs/dbraw/zinc/44/98/39/483449839.db2.gz JALDOXRARZSXLZ-UHFFFAOYSA-N 2 2 353.423 -1.109 20 0 FAADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000498438891 483449835 /nfs/dbraw/zinc/44/98/35/483449835.db2.gz JALDOXRARZSXLZ-UHFFFAOYSA-N 2 2 353.423 -1.109 20 0 FAADLP CC1=CC[N@@H+](CCNC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000498962174 483478196 /nfs/dbraw/zinc/47/81/96/483478196.db2.gz YLURPICHIAAAKP-INIZCTEOSA-N 2 2 368.478 -1.094 20 0 FAADLP CC1=CC[N@H+](CCNC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000498962174 483478188 /nfs/dbraw/zinc/47/81/88/483478188.db2.gz YLURPICHIAAAKP-INIZCTEOSA-N 2 2 368.478 -1.094 20 0 FAADLP CC1=CC[N@@H+](CCNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000498962175 483478216 /nfs/dbraw/zinc/47/82/16/483478216.db2.gz YLURPICHIAAAKP-MRXNPFEDSA-N 2 2 368.478 -1.094 20 0 FAADLP CC1=CC[N@H+](CCNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000498962175 483478214 /nfs/dbraw/zinc/47/82/14/483478214.db2.gz YLURPICHIAAAKP-MRXNPFEDSA-N 2 2 368.478 -1.094 20 0 FAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000500456646 483484013 /nfs/dbraw/zinc/48/40/13/483484013.db2.gz LLOYYOCQCZDIEE-AWEZNQCLSA-N 2 2 356.467 -1.262 20 0 FAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000500456647 483483614 /nfs/dbraw/zinc/48/36/14/483483614.db2.gz LLOYYOCQCZDIEE-CQSZACIVSA-N 2 2 356.467 -1.262 20 0 FAADLP CCOC[C@@H](O)C[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000500979756 483485560 /nfs/dbraw/zinc/48/55/60/483485560.db2.gz JHVALYKTMWWGMK-AWEZNQCLSA-N 2 2 350.485 -1.506 20 0 FAADLP CCOC[C@H](O)C[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000500979760 483485188 /nfs/dbraw/zinc/48/51/88/483485188.db2.gz JHVALYKTMWWGMK-CQSZACIVSA-N 2 2 350.485 -1.506 20 0 FAADLP CNC(=O)C[NH+]1CCC(NC(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000501054410 483485486 /nfs/dbraw/zinc/48/54/86/483485486.db2.gz NWFDFOCJUOGMBE-UHFFFAOYSA-N 2 2 368.482 -1.340 20 0 FAADLP C[NH+]1CCN(C(=O)CCNC(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000501061009 483484664 /nfs/dbraw/zinc/48/46/64/483484664.db2.gz SFVSFPWXFACRCE-UHFFFAOYSA-N 2 2 368.482 -1.386 20 0 FAADLP C[C@@H]1C[NH+](C[C@H](O)CN2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)C[C@@H](C)O1 ZINC000501938165 483285238 /nfs/dbraw/zinc/28/52/38/483285238.db2.gz JZJKNQONUAWGRD-FPCVCCKLSA-N 2 2 358.483 -1.426 20 0 FAADLP C[C@@H]1C[NH+](C[C@H](O)CN2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)C[C@@H](C)O1 ZINC000501938165 483285234 /nfs/dbraw/zinc/28/52/34/483285234.db2.gz JZJKNQONUAWGRD-FPCVCCKLSA-N 2 2 358.483 -1.426 20 0 FAADLP C[C@@H]1C[NH+](C[C@H](O)CN2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)C[C@@H](C)O1 ZINC000501938166 483285144 /nfs/dbraw/zinc/28/51/44/483285144.db2.gz JZJKNQONUAWGRD-KLHDSHLOSA-N 2 2 358.483 -1.426 20 0 FAADLP C[C@@H]1C[NH+](C[C@H](O)CN2CCO[C@H](C[N@H+](C)CC(N)=O)C2)C[C@@H](C)O1 ZINC000501938166 483285141 /nfs/dbraw/zinc/28/51/41/483285141.db2.gz JZJKNQONUAWGRD-KLHDSHLOSA-N 2 2 358.483 -1.426 20 0 FAADLP C[C@@H]1C[NH+](C[C@H](O)CN2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)C[C@H](C)O1 ZINC000501938167 483285589 /nfs/dbraw/zinc/28/55/89/483285589.db2.gz JZJKNQONUAWGRD-QKPAOTATSA-N 2 2 358.483 -1.426 20 0 FAADLP C[C@@H]1C[NH+](C[C@H](O)CN2CCO[C@H](C[N@H+](C)CC(N)=O)C2)C[C@H](C)O1 ZINC000501938167 483285583 /nfs/dbraw/zinc/28/55/83/483285583.db2.gz JZJKNQONUAWGRD-QKPAOTATSA-N 2 2 358.483 -1.426 20 0 FAADLP C[C@@H]1C[N@H+](C[C@H](O)CN2CCO[C@H](C[NH+](C)CC(N)=O)C2)C[C@H](C)O1 ZINC000501938167 483285579 /nfs/dbraw/zinc/28/55/79/483285579.db2.gz JZJKNQONUAWGRD-QKPAOTATSA-N 2 2 358.483 -1.426 20 0 FAADLP C[C@@H]1C[N@@H+](C[C@H](O)CN2CCO[C@H](C[NH+](C)CC(N)=O)C2)C[C@H](C)O1 ZINC000501938167 483285572 /nfs/dbraw/zinc/28/55/72/483285572.db2.gz JZJKNQONUAWGRD-QKPAOTATSA-N 2 2 358.483 -1.426 20 0 FAADLP C[C@@H]1C[NH+](C[C@H](O)CN2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)C[C@H](C)O1 ZINC000501938168 483284535 /nfs/dbraw/zinc/28/45/35/483284535.db2.gz JZJKNQONUAWGRD-QXSJWSMHSA-N 2 2 358.483 -1.426 20 0 FAADLP C[C@@H]1C[NH+](C[C@H](O)CN2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)C[C@H](C)O1 ZINC000501938168 483284530 /nfs/dbraw/zinc/28/45/30/483284530.db2.gz JZJKNQONUAWGRD-QXSJWSMHSA-N 2 2 358.483 -1.426 20 0 FAADLP C[C@@H]1C[N@H+](C[C@H](O)CN2CCO[C@@H](C[NH+](C)CC(N)=O)C2)C[C@H](C)O1 ZINC000501938168 483284526 /nfs/dbraw/zinc/28/45/26/483284526.db2.gz JZJKNQONUAWGRD-QXSJWSMHSA-N 2 2 358.483 -1.426 20 0 FAADLP C[C@@H]1C[N@@H+](C[C@H](O)CN2CCO[C@@H](C[NH+](C)CC(N)=O)C2)C[C@H](C)O1 ZINC000501938168 483284522 /nfs/dbraw/zinc/28/45/22/483284522.db2.gz JZJKNQONUAWGRD-QXSJWSMHSA-N 2 2 358.483 -1.426 20 0 FAADLP C[NH+](C)C[C@@](C)(O)CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000502952008 483492023 /nfs/dbraw/zinc/49/20/23/483492023.db2.gz JOEYQUDHLYPSOG-PBHICJAKSA-N 2 2 356.467 -1.404 20 0 FAADLP C[NH+](C)C[C@](C)(O)CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000502952016 483492371 /nfs/dbraw/zinc/49/23/71/483492371.db2.gz JOEYQUDHLYPSOG-RHSMWYFYSA-N 2 2 356.467 -1.404 20 0 FAADLP C[NH+](C)C[C@](C)(O)CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000502952018 483492556 /nfs/dbraw/zinc/49/25/56/483492556.db2.gz JOEYQUDHLYPSOG-WMLDXEAASA-N 2 2 356.467 -1.404 20 0 FAADLP C[NH+](C)C[C@@](C)(O)CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000502952020 483492437 /nfs/dbraw/zinc/49/24/37/483492437.db2.gz JOEYQUDHLYPSOG-YOEHRIQHSA-N 2 2 356.467 -1.404 20 0 FAADLP O=C(CO)N1CC[NH+](CCOCC[NH+]2CCN(C(=O)CO)CC2)CC1 ZINC000503152772 483491643 /nfs/dbraw/zinc/49/16/43/483491643.db2.gz ACIOBRYGCUWFDZ-UHFFFAOYSA-N 2 2 358.439 -2.724 20 0 FAADLP O=C(CC[NH+]1CCN(C(=O)C(=O)N2CCOCC2)CC1)N1CC[NH2+]CC1 ZINC000508280716 483502590 /nfs/dbraw/zinc/50/25/90/483502590.db2.gz UYLJGOLOFPHGPI-UHFFFAOYSA-N 2 2 367.450 -2.189 20 0 FAADLP O=C(CC[NH+]1CCN(C(=O)C(=O)N2CCCC2)CC1)N1CC[NH2+]CC1 ZINC000508610008 483503727 /nfs/dbraw/zinc/50/37/27/483503727.db2.gz UEMRCAMGLYKLNH-UHFFFAOYSA-N 2 2 351.451 -1.425 20 0 FAADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000510639673 483509277 /nfs/dbraw/zinc/50/92/77/483509277.db2.gz QWDOWYVSZSWXFJ-HNNXBMFYSA-N 2 2 353.467 -1.323 20 0 FAADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000510639674 483509465 /nfs/dbraw/zinc/50/94/65/483509465.db2.gz QWDOWYVSZSWXFJ-OAHLLOKOSA-N 2 2 353.467 -1.323 20 0 FAADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+](C)CCC(N)=O)CC1 ZINC000513192887 483516983 /nfs/dbraw/zinc/51/69/83/483516983.db2.gz TUQCRSCINRJORW-UHFFFAOYSA-N 2 2 360.422 -1.181 20 0 FAADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+](C)CCC(N)=O)CC1 ZINC000513192887 483516970 /nfs/dbraw/zinc/51/69/70/483516970.db2.gz TUQCRSCINRJORW-UHFFFAOYSA-N 2 2 360.422 -1.181 20 0 FAADLP CCC(CC)(NC(=O)C1C[NH+](CC(=O)N2CC[NH+](C)CC2)C1)C(N)=O ZINC000513253152 483516341 /nfs/dbraw/zinc/51/63/41/483516341.db2.gz UWNVKYMPQRCLOD-UHFFFAOYSA-N 2 2 353.467 -1.148 20 0 FAADLP CC(C)NC(=O)C(=O)N1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000513882857 483518087 /nfs/dbraw/zinc/51/80/87/483518087.db2.gz RDSISGOXDCLMDP-UHFFFAOYSA-N 2 2 353.467 -1.181 20 0 FAADLP CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000513963622 483518235 /nfs/dbraw/zinc/51/82/35/483518235.db2.gz UKVPWWSJZSEFLH-AWEZNQCLSA-N 2 2 374.507 -1.224 20 0 FAADLP CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000513963622 483518232 /nfs/dbraw/zinc/51/82/32/483518232.db2.gz UKVPWWSJZSEFLH-AWEZNQCLSA-N 2 2 374.507 -1.224 20 0 FAADLP CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000513963623 483517591 /nfs/dbraw/zinc/51/75/91/483517591.db2.gz UKVPWWSJZSEFLH-CQSZACIVSA-N 2 2 374.507 -1.224 20 0 FAADLP CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000513963623 483517586 /nfs/dbraw/zinc/51/75/86/483517586.db2.gz UKVPWWSJZSEFLH-CQSZACIVSA-N 2 2 374.507 -1.224 20 0 FAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)[C@]34C[C@H]3CC[NH2+]4)CC2)CC1 ZINC000514596125 483194308 /nfs/dbraw/zinc/19/43/08/483194308.db2.gz BGQRUTWSGWEKAW-HIFRSBDPSA-N 2 2 357.480 -1.625 20 0 FAADLP [NH3+]CCN(CCO)C(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000515005459 483345984 /nfs/dbraw/zinc/34/59/84/483345984.db2.gz CTJPYOUQFILFSO-UHFFFAOYSA-N 2 2 363.462 -1.296 20 0 FAADLP C[NH+]1CCN(C(=O)C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000515053300 483345661 /nfs/dbraw/zinc/34/56/61/483345661.db2.gz KWJBBHXNLORAJC-UHFFFAOYSA-N 2 2 359.452 -2.794 20 0 FAADLP NS(=O)(=O)c1ccc(OCC[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1 ZINC000515073185 483346107 /nfs/dbraw/zinc/34/61/07/483346107.db2.gz MSSHVGRAMOZNFU-BXUZGUMPSA-N 2 2 354.432 -1.043 20 0 FAADLP NS(=O)(=O)c1ccc(OCC[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1 ZINC000515073185 483346101 /nfs/dbraw/zinc/34/61/01/483346101.db2.gz MSSHVGRAMOZNFU-BXUZGUMPSA-N 2 2 354.432 -1.043 20 0 FAADLP NS(=O)(=O)c1ccc(OCC[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1 ZINC000515073186 483345780 /nfs/dbraw/zinc/34/57/80/483345780.db2.gz MSSHVGRAMOZNFU-FZMZJTMJSA-N 2 2 354.432 -1.043 20 0 FAADLP NS(=O)(=O)c1ccc(OCC[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1 ZINC000515073186 483345776 /nfs/dbraw/zinc/34/57/76/483345776.db2.gz MSSHVGRAMOZNFU-FZMZJTMJSA-N 2 2 354.432 -1.043 20 0 FAADLP NS(=O)(=O)c1ccc(OCC[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1 ZINC000515073187 483345601 /nfs/dbraw/zinc/34/56/01/483345601.db2.gz MSSHVGRAMOZNFU-RISCZKNCSA-N 2 2 354.432 -1.043 20 0 FAADLP NS(=O)(=O)c1ccc(OCC[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1 ZINC000515073187 483345600 /nfs/dbraw/zinc/34/56/00/483345600.db2.gz MSSHVGRAMOZNFU-RISCZKNCSA-N 2 2 354.432 -1.043 20 0 FAADLP NS(=O)(=O)c1ccc(OCC[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1 ZINC000515073188 483346060 /nfs/dbraw/zinc/34/60/60/483346060.db2.gz MSSHVGRAMOZNFU-SMDDNHRTSA-N 2 2 354.432 -1.043 20 0 FAADLP NS(=O)(=O)c1ccc(OCC[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1 ZINC000515073188 483346056 /nfs/dbraw/zinc/34/60/56/483346056.db2.gz MSSHVGRAMOZNFU-SMDDNHRTSA-N 2 2 354.432 -1.043 20 0 FAADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000515404098 483346710 /nfs/dbraw/zinc/34/67/10/483346710.db2.gz NDDQLRKJDBRVQE-GASCZTMLSA-N 2 2 365.478 -1.038 20 0 FAADLP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000516648442 482767102 /nfs/dbraw/zinc/76/71/02/482767102.db2.gz VCXTVFSPUUSCOY-HNNXBMFYSA-N 2 2 365.478 -1.085 20 0 FAADLP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000516648443 482766509 /nfs/dbraw/zinc/76/65/09/482766509.db2.gz VCXTVFSPUUSCOY-OAHLLOKOSA-N 2 2 365.478 -1.085 20 0 FAADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000516967945 483521580 /nfs/dbraw/zinc/52/15/80/483521580.db2.gz WSAKZNZRBINBHO-AWEZNQCLSA-N 2 2 353.467 -1.133 20 0 FAADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000516967946 483521371 /nfs/dbraw/zinc/52/13/71/483521371.db2.gz WSAKZNZRBINBHO-CQSZACIVSA-N 2 2 353.467 -1.133 20 0 FAADLP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000516971467 483521671 /nfs/dbraw/zinc/52/16/71/483521671.db2.gz XOVBDOSRWPPTHP-KBPBESRZSA-N 2 2 363.466 -1.043 20 0 FAADLP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000516971468 483521445 /nfs/dbraw/zinc/52/14/45/483521445.db2.gz XOVBDOSRWPPTHP-KGLIPLIRSA-N 2 2 363.466 -1.043 20 0 FAADLP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000516971469 483521336 /nfs/dbraw/zinc/52/13/36/483521336.db2.gz XOVBDOSRWPPTHP-UONOGXRCSA-N 2 2 363.466 -1.043 20 0 FAADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000516971470 483521150 /nfs/dbraw/zinc/52/11/50/483521150.db2.gz XOVBDOSRWPPTHP-ZIAGYGMSSA-N 2 2 363.466 -1.043 20 0 FAADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000518438112 482629449 /nfs/dbraw/zinc/62/94/49/482629449.db2.gz VOGQNFDNYOAOJT-CVEARBPZSA-N 2 2 367.494 -1.471 20 0 FAADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000518438112 482629447 /nfs/dbraw/zinc/62/94/47/482629447.db2.gz VOGQNFDNYOAOJT-CVEARBPZSA-N 2 2 367.494 -1.471 20 0 FAADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000518438116 482629664 /nfs/dbraw/zinc/62/96/64/482629664.db2.gz VOGQNFDNYOAOJT-HOTGVXAUSA-N 2 2 367.494 -1.471 20 0 FAADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000518438116 482629661 /nfs/dbraw/zinc/62/96/61/482629661.db2.gz VOGQNFDNYOAOJT-HOTGVXAUSA-N 2 2 367.494 -1.471 20 0 FAADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000518438118 482629391 /nfs/dbraw/zinc/62/93/91/482629391.db2.gz VOGQNFDNYOAOJT-HZPDHXFCSA-N 2 2 367.494 -1.471 20 0 FAADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000518438118 482629390 /nfs/dbraw/zinc/62/93/90/482629390.db2.gz VOGQNFDNYOAOJT-HZPDHXFCSA-N 2 2 367.494 -1.471 20 0 FAADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000518438119 482629351 /nfs/dbraw/zinc/62/93/51/482629351.db2.gz VOGQNFDNYOAOJT-JKSUJKDBSA-N 2 2 367.494 -1.471 20 0 FAADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000518438119 482629346 /nfs/dbraw/zinc/62/93/46/482629346.db2.gz VOGQNFDNYOAOJT-JKSUJKDBSA-N 2 2 367.494 -1.471 20 0 FAADLP CN(C(=O)Cn1cnnn1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000518499536 482633030 /nfs/dbraw/zinc/63/30/30/482633030.db2.gz PAEJCOCKBQFINK-UHFFFAOYSA-N 2 2 364.454 -1.630 20 0 FAADLP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000518526084 482631873 /nfs/dbraw/zinc/63/18/73/482631873.db2.gz FRXRCAHINHAFRD-CHWSQXEVSA-N 2 2 356.423 -1.684 20 0 FAADLP COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000518526085 482633010 /nfs/dbraw/zinc/63/30/10/482633010.db2.gz FRXRCAHINHAFRD-OLZOCXBDSA-N 2 2 356.423 -1.684 20 0 FAADLP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000518526086 482633001 /nfs/dbraw/zinc/63/30/01/482633001.db2.gz FRXRCAHINHAFRD-QWHCGFSZSA-N 2 2 356.423 -1.684 20 0 FAADLP COC(=O)CC[C@H]([NH3+])C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000518526087 482632494 /nfs/dbraw/zinc/63/24/94/482632494.db2.gz FRXRCAHINHAFRD-STQMWFEESA-N 2 2 356.423 -1.684 20 0 FAADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC1 ZINC000518576454 482632951 /nfs/dbraw/zinc/63/29/51/482632951.db2.gz ZXMAOAXIZCAPJB-DZGCQCFKSA-N 2 2 365.478 -1.040 20 0 FAADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC1 ZINC000518576455 482632801 /nfs/dbraw/zinc/63/28/01/482632801.db2.gz ZXMAOAXIZCAPJB-HIFRSBDPSA-N 2 2 365.478 -1.040 20 0 FAADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC1 ZINC000518576456 482632016 /nfs/dbraw/zinc/63/20/16/482632016.db2.gz ZXMAOAXIZCAPJB-UKRRQHHQSA-N 2 2 365.478 -1.040 20 0 FAADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC1 ZINC000518576457 482632440 /nfs/dbraw/zinc/63/24/40/482632440.db2.gz ZXMAOAXIZCAPJB-ZFWWWQNUSA-N 2 2 365.478 -1.040 20 0 FAADLP CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000518764772 482752069 /nfs/dbraw/zinc/75/20/69/482752069.db2.gz JGDRRAXJRWXWGJ-UHFFFAOYSA-N 2 2 361.512 -1.035 20 0 FAADLP COC[C@]1(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC[NH2+]C1 ZINC000518765308 272891184 /nfs/dbraw/zinc/89/11/84/272891184.db2.gz VGBOYZKRYISKOJ-PBHICJAKSA-N 2 2 354.451 -1.338 20 0 FAADLP COC[C@@]1(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC[NH2+]C1 ZINC000518765309 272891168 /nfs/dbraw/zinc/89/11/68/272891168.db2.gz VGBOYZKRYISKOJ-RHSMWYFYSA-N 2 2 354.451 -1.338 20 0 FAADLP COC[C@@]1(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC[NH2+]C1 ZINC000518765310 482752819 /nfs/dbraw/zinc/75/28/19/482752819.db2.gz VGBOYZKRYISKOJ-WMLDXEAASA-N 2 2 354.451 -1.338 20 0 FAADLP COC[C@]1(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC[NH2+]C1 ZINC000518765311 482752647 /nfs/dbraw/zinc/75/26/47/482752647.db2.gz VGBOYZKRYISKOJ-YOEHRIQHSA-N 2 2 354.451 -1.338 20 0 FAADLP CCC[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000519311867 483140479 /nfs/dbraw/zinc/14/04/79/483140479.db2.gz LYVVEWRQBDHOCA-UHFFFAOYSA-N 2 2 361.512 -1.035 20 0 FAADLP CCC[N@H+](C)CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000519311867 483140469 /nfs/dbraw/zinc/14/04/69/483140469.db2.gz LYVVEWRQBDHOCA-UHFFFAOYSA-N 2 2 361.512 -1.035 20 0 FAADLP C[NH+](C)CCN1C(=O)C[C@@H]([N@H+]2CCC[C@H](CNS(C)(=O)=O)C2)C1=O ZINC000519333911 483139703 /nfs/dbraw/zinc/13/97/03/483139703.db2.gz MPLKTWUADUGQML-CHWSQXEVSA-N 2 2 360.480 -1.063 20 0 FAADLP C[NH+](C)CCN1C(=O)C[C@@H]([N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)C1=O ZINC000519333911 483139695 /nfs/dbraw/zinc/13/96/95/483139695.db2.gz MPLKTWUADUGQML-CHWSQXEVSA-N 2 2 360.480 -1.063 20 0 FAADLP 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C[NH+](C)CCN1C(=O)C[C@H]([N@@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)C1=O ZINC000519333914 483139912 /nfs/dbraw/zinc/13/99/12/483139912.db2.gz MPLKTWUADUGQML-STQMWFEESA-N 2 2 360.480 -1.063 20 0 FAADLP CC[N@@H+](CCNC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)C1CC1 ZINC000519635527 483142632 /nfs/dbraw/zinc/14/26/32/483142632.db2.gz PTGFHRNGEOKTCM-HNNXBMFYSA-N 2 2 356.467 -1.262 20 0 FAADLP CC[N@H+](CCNC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)C1CC1 ZINC000519635527 483142629 /nfs/dbraw/zinc/14/26/29/483142629.db2.gz PTGFHRNGEOKTCM-HNNXBMFYSA-N 2 2 356.467 -1.262 20 0 FAADLP CC[N@@H+](CCNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)C1CC1 ZINC000519635541 483142393 /nfs/dbraw/zinc/14/23/93/483142393.db2.gz PTGFHRNGEOKTCM-OAHLLOKOSA-N 2 2 356.467 -1.262 20 0 FAADLP CC[N@H+](CCNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)C1CC1 ZINC000519635541 483142387 /nfs/dbraw/zinc/14/23/87/483142387.db2.gz PTGFHRNGEOKTCM-OAHLLOKOSA-N 2 2 356.467 -1.262 20 0 FAADLP [NH3+][C@H]1C[C@H]2CN(C(=O)C(=O)NCCc3cn4ccccc4[nH+]3)CCN2C1=O 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359.496 -1.426 20 0 FAADLP C[N@H+]1CC[C@@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000522272398 483531724 /nfs/dbraw/zinc/53/17/24/483531724.db2.gz BNTRIAZAODOXOS-CQSZACIVSA-N 2 2 359.496 -1.426 20 0 FAADLP C[N@@H+]1CC[C@@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000522272398 483531720 /nfs/dbraw/zinc/53/17/20/483531720.db2.gz BNTRIAZAODOXOS-CQSZACIVSA-N 2 2 359.496 -1.426 20 0 FAADLP CNC(=O)N1CC[NH+](CCOCC[NH+]2CCN(C(=O)NC)CC2)CC1 ZINC000527298557 482702006 /nfs/dbraw/zinc/70/20/06/482702006.db2.gz BAMBKFXJRZUUMK-UHFFFAOYSA-N 2 2 356.471 -1.083 20 0 FAADLP Cc1c[nH+]cn1CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000527900515 483330242 /nfs/dbraw/zinc/33/02/42/483330242.db2.gz WMGJMMJEJDRWAN-UHFFFAOYSA-N 2 2 370.479 -1.172 20 0 FAADLP C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000529381255 483551381 /nfs/dbraw/zinc/55/13/81/483551381.db2.gz QQXHWKPYXCPECC-CABCVRRESA-N 2 2 369.466 -1.451 20 0 FAADLP C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000529381266 483550578 /nfs/dbraw/zinc/55/05/78/483550578.db2.gz QQXHWKPYXCPECC-GJZGRUSLSA-N 2 2 369.466 -1.451 20 0 FAADLP C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000529381269 483551286 /nfs/dbraw/zinc/55/12/86/483551286.db2.gz QQXHWKPYXCPECC-HUUCEWRRSA-N 2 2 369.466 -1.451 20 0 FAADLP C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000529381272 483551312 /nfs/dbraw/zinc/55/13/12/483551312.db2.gz QQXHWKPYXCPECC-LSDHHAIUSA-N 2 2 369.466 -1.451 20 0 FAADLP C[NH+]1CCN(C(=O)CC[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC000530222950 483553818 /nfs/dbraw/zinc/55/38/18/483553818.db2.gz KIGXASYNVKECMQ-UHFFFAOYSA-N 3 2 352.483 -1.207 20 0 FAADLP CC1(C)NC(=O)N(CC[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1=O ZINC000530223499 483554255 /nfs/dbraw/zinc/55/42/55/483554255.db2.gz NZOZWGHIGIKUOY-UHFFFAOYSA-N 2 2 352.439 -1.040 20 0 FAADLP Cn1c(C[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)cc(=O)n(C)c1=O ZINC000530223669 483554325 /nfs/dbraw/zinc/55/43/25/483554325.db2.gz PYZXUGDRRBVZJL-UHFFFAOYSA-N 2 2 350.423 -1.773 20 0 FAADLP Cn1cc(C[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)c(=O)n(C)c1=O ZINC000530243560 483553387 /nfs/dbraw/zinc/55/33/87/483553387.db2.gz SQZLKZDWTAZLKD-UHFFFAOYSA-N 2 2 350.423 -1.773 20 0 FAADLP O=C(COCC(=O)N1CC[NH+](CCO)CC1)N1CC[NH+](CCO)CC1 ZINC000530788520 482554418 /nfs/dbraw/zinc/55/44/18/482554418.db2.gz LYKXXEHPFSMBOB-UHFFFAOYSA-N 2 2 358.439 -2.724 20 0 FAADLP C[NH+]1CCN(C(=O)CCNC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)CC1 ZINC000530951681 482559895 /nfs/dbraw/zinc/55/98/95/482559895.db2.gz QVLMFTCXLIZGKW-UHFFFAOYSA-N 2 2 368.482 -1.258 20 0 FAADLP C[NH+]1CCC(O)(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000531097544 482658118 /nfs/dbraw/zinc/65/81/18/482658118.db2.gz QKXXUFSVTLXVQJ-HNNXBMFYSA-N 2 2 368.478 -1.260 20 0 FAADLP C[NH+]1CCC(O)(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000531097545 482658682 /nfs/dbraw/zinc/65/86/82/482658682.db2.gz QKXXUFSVTLXVQJ-OAHLLOKOSA-N 2 2 368.478 -1.260 20 0 FAADLP O=C(CCCC(=O)N1CC[NH+](CCO)CC1)N1CC[NH+](CCO)CC1 ZINC000531265249 482817471 /nfs/dbraw/zinc/81/74/71/482817471.db2.gz VEXNVGYALYLTFJ-UHFFFAOYSA-N 2 2 356.467 -1.570 20 0 FAADLP O=C1NC[C@H]2C[NH+](CCOCC[N@H+]3CCN4C(=O)NC[C@H]4C3)CCN12 ZINC000532649562 483190884 /nfs/dbraw/zinc/19/08/84/483190884.db2.gz KBTNTEUACOUPFJ-KBPBESRZSA-N 2 2 352.439 -1.578 20 0 FAADLP O=C1NC[C@H]2C[NH+](CCOCC[N@@H+]3CCN4C(=O)NC[C@H]4C3)CCN12 ZINC000532649562 483190882 /nfs/dbraw/zinc/19/08/82/483190882.db2.gz KBTNTEUACOUPFJ-KBPBESRZSA-N 2 2 352.439 -1.578 20 0 FAADLP O=C1NC[C@@H]2C[N@@H+](CCOCC[NH+]3CCN4C(=O)NC[C@H]4C3)CCN12 ZINC000532649563 483190439 /nfs/dbraw/zinc/19/04/39/483190439.db2.gz KBTNTEUACOUPFJ-OKILXGFUSA-N 2 2 352.439 -1.578 20 0 FAADLP O=C1NC[C@@H]2C[N@H+](CCOCC[NH+]3CCN4C(=O)NC[C@H]4C3)CCN12 ZINC000532649563 483190436 /nfs/dbraw/zinc/19/04/36/483190436.db2.gz KBTNTEUACOUPFJ-OKILXGFUSA-N 2 2 352.439 -1.578 20 0 FAADLP O=C1NC[C@@H]2C[NH+](CCOCC[N@H+]3CCN4C(=O)NC[C@H]4C3)CCN12 ZINC000532649563 483190432 /nfs/dbraw/zinc/19/04/32/483190432.db2.gz KBTNTEUACOUPFJ-OKILXGFUSA-N 2 2 352.439 -1.578 20 0 FAADLP O=C1NC[C@@H]2C[NH+](CCOCC[N@@H+]3CCN4C(=O)NC[C@H]4C3)CCN12 ZINC000532649563 483190426 /nfs/dbraw/zinc/19/04/26/483190426.db2.gz KBTNTEUACOUPFJ-OKILXGFUSA-N 2 2 352.439 -1.578 20 0 FAADLP O=C1NC[C@@H]2C[NH+](CCOCC[N@H+]3CCN4C(=O)NC[C@@H]4C3)CCN12 ZINC000532649564 483190545 /nfs/dbraw/zinc/19/05/45/483190545.db2.gz KBTNTEUACOUPFJ-ZIAGYGMSSA-N 2 2 352.439 -1.578 20 0 FAADLP O=C1NC[C@@H]2C[NH+](CCOCC[N@@H+]3CCN4C(=O)NC[C@@H]4C3)CCN12 ZINC000532649564 483190541 /nfs/dbraw/zinc/19/05/41/483190541.db2.gz KBTNTEUACOUPFJ-ZIAGYGMSSA-N 2 2 352.439 -1.578 20 0 FAADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CC[C@H](S(N)(=O)=O)C2)C1 ZINC000533840156 482653039 /nfs/dbraw/zinc/65/30/39/482653039.db2.gz KOYQCLJGXJOUCM-KBPBESRZSA-N 2 2 362.496 -1.178 20 0 FAADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)C1 ZINC000533840156 482653036 /nfs/dbraw/zinc/65/30/36/482653036.db2.gz KOYQCLJGXJOUCM-KBPBESRZSA-N 2 2 362.496 -1.178 20 0 FAADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@H](S(N)(=O)=O)C2)C1 ZINC000533840156 482653034 /nfs/dbraw/zinc/65/30/34/482653034.db2.gz KOYQCLJGXJOUCM-KBPBESRZSA-N 2 2 362.496 -1.178 20 0 FAADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@H](S(N)(=O)=O)C2)C1 ZINC000533840156 482653031 /nfs/dbraw/zinc/65/30/31/482653031.db2.gz KOYQCLJGXJOUCM-KBPBESRZSA-N 2 2 362.496 -1.178 20 0 FAADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@H](S(N)(=O)=O)C2)C1 ZINC000533840157 482652300 /nfs/dbraw/zinc/65/23/00/482652300.db2.gz KOYQCLJGXJOUCM-KGLIPLIRSA-N 2 2 362.496 -1.178 20 0 FAADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)C1 ZINC000533840157 482652293 /nfs/dbraw/zinc/65/22/93/482652293.db2.gz KOYQCLJGXJOUCM-KGLIPLIRSA-N 2 2 362.496 -1.178 20 0 FAADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H](S(N)(=O)=O)C2)C1 ZINC000533840157 482652288 /nfs/dbraw/zinc/65/22/88/482652288.db2.gz KOYQCLJGXJOUCM-KGLIPLIRSA-N 2 2 362.496 -1.178 20 0 FAADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H](S(N)(=O)=O)C2)C1 ZINC000533840157 482652279 /nfs/dbraw/zinc/65/22/79/482652279.db2.gz KOYQCLJGXJOUCM-KGLIPLIRSA-N 2 2 362.496 -1.178 20 0 FAADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CC[C@@H](S(N)(=O)=O)C2)C1 ZINC000533840158 482653238 /nfs/dbraw/zinc/65/32/38/482653238.db2.gz KOYQCLJGXJOUCM-UONOGXRCSA-N 2 2 362.496 -1.178 20 0 FAADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)C1 ZINC000533840158 482653236 /nfs/dbraw/zinc/65/32/36/482653236.db2.gz KOYQCLJGXJOUCM-UONOGXRCSA-N 2 2 362.496 -1.178 20 0 FAADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@@H](S(N)(=O)=O)C2)C1 ZINC000533840158 482653233 /nfs/dbraw/zinc/65/32/33/482653233.db2.gz KOYQCLJGXJOUCM-UONOGXRCSA-N 2 2 362.496 -1.178 20 0 FAADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@@H](S(N)(=O)=O)C2)C1 ZINC000533840158 482653231 /nfs/dbraw/zinc/65/32/31/482653231.db2.gz KOYQCLJGXJOUCM-UONOGXRCSA-N 2 2 362.496 -1.178 20 0 FAADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@@H](S(N)(=O)=O)C2)C1 ZINC000533840159 482653140 /nfs/dbraw/zinc/65/31/40/482653140.db2.gz KOYQCLJGXJOUCM-ZIAGYGMSSA-N 2 2 362.496 -1.178 20 0 FAADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)C1 ZINC000533840159 482653138 /nfs/dbraw/zinc/65/31/38/482653138.db2.gz KOYQCLJGXJOUCM-ZIAGYGMSSA-N 2 2 362.496 -1.178 20 0 FAADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H](S(N)(=O)=O)C2)C1 ZINC000533840159 482653135 /nfs/dbraw/zinc/65/31/35/482653135.db2.gz KOYQCLJGXJOUCM-ZIAGYGMSSA-N 2 2 362.496 -1.178 20 0 FAADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H](S(N)(=O)=O)C2)C1 ZINC000533840159 482653132 /nfs/dbraw/zinc/65/31/32/482653132.db2.gz KOYQCLJGXJOUCM-ZIAGYGMSSA-N 2 2 362.496 -1.178 20 0 FAADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1CS(=O)(=O)CCO1 ZINC000534343704 482933149 /nfs/dbraw/zinc/93/31/49/482933149.db2.gz IMSZCUAUEISTGH-CYBMUJFWSA-N 2 2 350.485 -1.065 20 0 FAADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1CS(=O)(=O)CCO1 ZINC000534343705 482932337 /nfs/dbraw/zinc/93/23/37/482932337.db2.gz IMSZCUAUEISTGH-ZDUSSCGKSA-N 2 2 350.485 -1.065 20 0 FAADLP C[C@H](O)C(=O)N1CC[NH+](CCCC[NH+]2CCN(C(=O)[C@H](C)O)CC2)CC1 ZINC000535740289 483136386 /nfs/dbraw/zinc/13/63/86/483136386.db2.gz CJWBGVYOBAOPAY-HOTGVXAUSA-N 2 2 370.494 -1.183 20 0 FAADLP C[C@@H](O)C(=O)N1CC[NH+](CCCC[NH+]2CCN(C(=O)[C@@H](C)O)CC2)CC1 ZINC000535740290 483135219 /nfs/dbraw/zinc/13/52/19/483135219.db2.gz CJWBGVYOBAOPAY-HZPDHXFCSA-N 2 2 370.494 -1.183 20 0 FAADLP C[C@@H](O)C(=O)N1CC[NH+](CCCC[NH+]2CCN(C(=O)[C@H](C)O)CC2)CC1 ZINC000535740291 483135965 /nfs/dbraw/zinc/13/59/65/483135965.db2.gz CJWBGVYOBAOPAY-IYBDPMFKSA-N 2 2 370.494 -1.183 20 0 FAADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000536541934 482740717 /nfs/dbraw/zinc/74/07/17/482740717.db2.gz OOZCERQREHNTET-HNNXBMFYSA-N 2 2 354.451 -1.290 20 0 FAADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000536541934 482740712 /nfs/dbraw/zinc/74/07/12/482740712.db2.gz OOZCERQREHNTET-HNNXBMFYSA-N 2 2 354.451 -1.290 20 0 FAADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000536541935 482741041 /nfs/dbraw/zinc/74/10/41/482741041.db2.gz OOZCERQREHNTET-OAHLLOKOSA-N 2 2 354.451 -1.290 20 0 FAADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000536541935 482741035 /nfs/dbraw/zinc/74/10/35/482741035.db2.gz OOZCERQREHNTET-OAHLLOKOSA-N 2 2 354.451 -1.290 20 0 FAADLP CNS(=O)(=O)[C@@H]1CC[N@H+](CCC[NH+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000536542339 482816316 /nfs/dbraw/zinc/81/63/16/482816316.db2.gz GOVAIZCEPWRYLR-BETUJISGSA-N 2 2 368.525 -1.377 20 0 FAADLP CNS(=O)(=O)[C@@H]1CC[N@@H+](CCC[NH+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000536542339 482816312 /nfs/dbraw/zinc/81/63/12/482816312.db2.gz GOVAIZCEPWRYLR-BETUJISGSA-N 2 2 368.525 -1.377 20 0 FAADLP CNS(=O)(=O)[C@@H]1CC[NH+](CCC[N@@H+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000536542339 482816310 /nfs/dbraw/zinc/81/63/10/482816310.db2.gz GOVAIZCEPWRYLR-BETUJISGSA-N 2 2 368.525 -1.377 20 0 FAADLP CNS(=O)(=O)[C@@H]1CC[NH+](CCC[N@H+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000536542339 482816303 /nfs/dbraw/zinc/81/63/03/482816303.db2.gz GOVAIZCEPWRYLR-BETUJISGSA-N 2 2 368.525 -1.377 20 0 FAADLP CNS(=O)(=O)[C@@H]1CC[NH+](CCC[N@@H+]2CC[C@@H](S(=O)(=O)NC)C2)C1 ZINC000536542356 482817204 /nfs/dbraw/zinc/81/72/04/482817204.db2.gz GOVAIZCEPWRYLR-CHWSQXEVSA-N 2 2 368.525 -1.377 20 0 FAADLP CNS(=O)(=O)[C@@H]1CC[NH+](CCC[N@H+]2CC[C@@H](S(=O)(=O)NC)C2)C1 ZINC000536542356 482817201 /nfs/dbraw/zinc/81/72/01/482817201.db2.gz GOVAIZCEPWRYLR-CHWSQXEVSA-N 2 2 368.525 -1.377 20 0 FAADLP CNS(=O)(=O)[C@H]1CC[NH+](CCC[N@@H+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000536542358 482817135 /nfs/dbraw/zinc/81/71/35/482817135.db2.gz GOVAIZCEPWRYLR-STQMWFEESA-N 2 2 368.525 -1.377 20 0 FAADLP CNS(=O)(=O)[C@H]1CC[NH+](CCC[N@H+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000536542358 482817130 /nfs/dbraw/zinc/81/71/30/482817130.db2.gz GOVAIZCEPWRYLR-STQMWFEESA-N 2 2 368.525 -1.377 20 0 FAADLP Cn1cc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(=O)n(C)c1=O ZINC000537501600 483343977 /nfs/dbraw/zinc/34/39/77/483343977.db2.gz AFSSLQZMFXHJDB-AWEZNQCLSA-N 2 2 365.434 -1.893 20 0 FAADLP Cn1cc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(=O)n(C)c1=O ZINC000537501601 483343938 /nfs/dbraw/zinc/34/39/38/483343938.db2.gz AFSSLQZMFXHJDB-CQSZACIVSA-N 2 2 365.434 -1.893 20 0 FAADLP CCOC(CNC(=O)[C@@H]1C[NH+](C)CCO1)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000541131490 483567354 /nfs/dbraw/zinc/56/73/54/483567354.db2.gz JUUNQHQPBXKEJU-GJZGRUSLSA-N 2 2 372.466 -1.715 20 0 FAADLP CCOC(CNC(=O)[C@@H]1C[NH+](C)CCO1)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000541131490 483567347 /nfs/dbraw/zinc/56/73/47/483567347.db2.gz JUUNQHQPBXKEJU-GJZGRUSLSA-N 2 2 372.466 -1.715 20 0 FAADLP CCOC(CNC(=O)[C@H]1C[NH+](C)CCO1)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000541131495 483567710 /nfs/dbraw/zinc/56/77/10/483567710.db2.gz JUUNQHQPBXKEJU-HUUCEWRRSA-N 2 2 372.466 -1.715 20 0 FAADLP CCOC(CNC(=O)[C@H]1C[NH+](C)CCO1)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000541131495 483567704 /nfs/dbraw/zinc/56/77/04/483567704.db2.gz JUUNQHQPBXKEJU-HUUCEWRRSA-N 2 2 372.466 -1.715 20 0 FAADLP CCO[C@H](CNC(=O)[C@H]1C[NH+](C)CCO1)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000541131496 483567903 /nfs/dbraw/zinc/56/79/03/483567903.db2.gz JUUNQHQPBXKEJU-QKDCVEJESA-N 2 2 372.466 -1.715 20 0 FAADLP CCO[C@H](CNC(=O)[C@H]1C[NH+](C)CCO1)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000541131496 483567898 /nfs/dbraw/zinc/56/78/98/483567898.db2.gz JUUNQHQPBXKEJU-QKDCVEJESA-N 2 2 372.466 -1.715 20 0 FAADLP CCO[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000541131496 483567895 /nfs/dbraw/zinc/56/78/95/483567895.db2.gz JUUNQHQPBXKEJU-QKDCVEJESA-N 2 2 372.466 -1.715 20 0 FAADLP CCO[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000541131496 483567890 /nfs/dbraw/zinc/56/78/90/483567890.db2.gz JUUNQHQPBXKEJU-QKDCVEJESA-N 2 2 372.466 -1.715 20 0 FAADLP CNC(=O)[C@@H]1C[NH+](CCOCC[N@H+]2CCO[C@H](C(=O)NC)C2)CCO1 ZINC000541990490 483571129 /nfs/dbraw/zinc/57/11/29/483571129.db2.gz YIEVRQNJTIDPDE-KBPBESRZSA-N 2 2 358.439 -2.103 20 0 FAADLP CNC(=O)[C@@H]1C[NH+](CCOCC[N@@H+]2CCO[C@H](C(=O)NC)C2)CCO1 ZINC000541990490 483571124 /nfs/dbraw/zinc/57/11/24/483571124.db2.gz YIEVRQNJTIDPDE-KBPBESRZSA-N 2 2 358.439 -2.103 20 0 FAADLP CNC(=O)[C@H]1C[NH+](CCOCC[N@H+]2CCO[C@H](C(=O)NC)C2)CCO1 ZINC000541990491 483570880 /nfs/dbraw/zinc/57/08/80/483570880.db2.gz YIEVRQNJTIDPDE-OKILXGFUSA-N 2 2 358.439 -2.103 20 0 FAADLP CNC(=O)[C@H]1C[NH+](CCOCC[N@@H+]2CCO[C@H](C(=O)NC)C2)CCO1 ZINC000541990491 483570877 /nfs/dbraw/zinc/57/08/77/483570877.db2.gz YIEVRQNJTIDPDE-OKILXGFUSA-N 2 2 358.439 -2.103 20 0 FAADLP CNC(=O)[C@H]1C[N@@H+](CCOCC[NH+]2CCO[C@H](C(=O)NC)C2)CCO1 ZINC000541990491 483570874 /nfs/dbraw/zinc/57/08/74/483570874.db2.gz YIEVRQNJTIDPDE-OKILXGFUSA-N 2 2 358.439 -2.103 20 0 FAADLP CNC(=O)[C@H]1C[N@H+](CCOCC[NH+]2CCO[C@H](C(=O)NC)C2)CCO1 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IECNJMJTCDMZSK-MJBXVCDLSA-N 2 2 352.501 -1.122 20 0 FAADLP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000563206391 482910756 /nfs/dbraw/zinc/91/07/56/482910756.db2.gz FRWBBHQWLSEOPP-CABCVRRESA-N 2 2 354.451 -1.338 20 0 FAADLP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000563206403 482910581 /nfs/dbraw/zinc/91/05/81/482910581.db2.gz FRWBBHQWLSEOPP-GJZGRUSLSA-N 2 2 354.451 -1.338 20 0 FAADLP O=C(NC[C@H]1C[NH2+]CCCO1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000563206406 482911592 /nfs/dbraw/zinc/91/15/92/482911592.db2.gz FRWBBHQWLSEOPP-HUUCEWRRSA-N 2 2 354.451 -1.338 20 0 FAADLP O=C(NC[C@H]1C[NH2+]CCCO1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000563206409 482911475 /nfs/dbraw/zinc/91/14/75/482911475.db2.gz FRWBBHQWLSEOPP-LSDHHAIUSA-N 2 2 354.451 -1.338 20 0 FAADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000563315042 482934320 /nfs/dbraw/zinc/93/43/20/482934320.db2.gz ZGJKLTNXZJWWDC-GFCCVEGCSA-N 2 2 352.439 -1.061 20 0 FAADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000563315042 482934315 /nfs/dbraw/zinc/93/43/15/482934315.db2.gz ZGJKLTNXZJWWDC-GFCCVEGCSA-N 2 2 352.439 -1.061 20 0 FAADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000563315043 482934127 /nfs/dbraw/zinc/93/41/27/482934127.db2.gz ZGJKLTNXZJWWDC-LBPRGKRZSA-N 2 2 352.439 -1.061 20 0 FAADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000563315043 482934120 /nfs/dbraw/zinc/93/41/20/482934120.db2.gz ZGJKLTNXZJWWDC-LBPRGKRZSA-N 2 2 352.439 -1.061 20 0 FAADLP C[C@@H](CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1)C[NH+]1CCOCC1 ZINC000563465759 482941506 /nfs/dbraw/zinc/94/15/06/482941506.db2.gz SRUQNXXCRLZNPR-HNNXBMFYSA-N 2 2 370.494 -1.014 20 0 FAADLP C[C@H](CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1)C[NH+]1CCOCC1 ZINC000563465760 482940608 /nfs/dbraw/zinc/94/06/08/482940608.db2.gz SRUQNXXCRLZNPR-OAHLLOKOSA-N 2 2 370.494 -1.014 20 0 FAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)NC[C@H]([NH3+])C3CC3)CC2)CC1 ZINC000563601641 482948688 /nfs/dbraw/zinc/94/86/88/482948688.db2.gz RIALLXZCKPJPQK-AWEZNQCLSA-N 2 2 374.511 -1.457 20 0 FAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)NC[C@@H]([NH3+])C3CC3)CC2)CC1 ZINC000563601642 482947685 /nfs/dbraw/zinc/94/76/85/482947685.db2.gz RIALLXZCKPJPQK-CQSZACIVSA-N 2 2 374.511 -1.457 20 0 FAADLP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CCO1 ZINC000563620388 482948055 /nfs/dbraw/zinc/94/80/55/482948055.db2.gz ULHZFMKVZMJEKE-ILXRZTDVSA-N 2 2 354.451 -1.068 20 0 FAADLP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CCO1 ZINC000563620389 482948331 /nfs/dbraw/zinc/94/83/31/482948331.db2.gz ULHZFMKVZMJEKE-KFWWJZLASA-N 2 2 354.451 -1.068 20 0 FAADLP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CCO1 ZINC000563620390 482947791 /nfs/dbraw/zinc/94/77/91/482947791.db2.gz ULHZFMKVZMJEKE-QLFBSQMISA-N 2 2 354.451 -1.068 20 0 FAADLP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CCO1 ZINC000563620391 482948100 /nfs/dbraw/zinc/94/81/00/482948100.db2.gz ULHZFMKVZMJEKE-RBSFLKMASA-N 2 2 354.451 -1.068 20 0 FAADLP C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000564223682 483563168 /nfs/dbraw/zinc/56/31/68/483563168.db2.gz VCIRCUGGTZVYJU-CYBMUJFWSA-N 2 2 350.423 -1.499 20 0 FAADLP C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000564223682 483563159 /nfs/dbraw/zinc/56/31/59/483563159.db2.gz VCIRCUGGTZVYJU-CYBMUJFWSA-N 2 2 350.423 -1.499 20 0 FAADLP C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000564223683 483563472 /nfs/dbraw/zinc/56/34/72/483563472.db2.gz VCIRCUGGTZVYJU-ZDUSSCGKSA-N 2 2 350.423 -1.499 20 0 FAADLP C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000564223683 483563468 /nfs/dbraw/zinc/56/34/68/483563468.db2.gz VCIRCUGGTZVYJU-ZDUSSCGKSA-N 2 2 350.423 -1.499 20 0 FAADLP COCC[NH+]1CCN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000564475505 483630767 /nfs/dbraw/zinc/63/07/67/483630767.db2.gz XFCBJIKKPVWAQD-UHFFFAOYSA-N 2 2 369.466 -1.943 20 0 FAADLP COCC[NH2+]CC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000564729032 483632891 /nfs/dbraw/zinc/63/28/91/483632891.db2.gz WZJVXKVRMOYBNU-UHFFFAOYSA-N 3 2 369.510 -1.081 20 0 FAADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000564936412 483634876 /nfs/dbraw/zinc/63/48/76/483634876.db2.gz KYMJQNMIQGRINL-AWEZNQCLSA-N 2 2 370.450 -1.422 20 0 FAADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000564936442 483634607 /nfs/dbraw/zinc/63/46/07/483634607.db2.gz KYMJQNMIQGRINL-CQSZACIVSA-N 2 2 370.450 -1.422 20 0 FAADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)CC(=O)N1CCN(c2cnccn2)CC1 ZINC000564988174 483634062 /nfs/dbraw/zinc/63/40/62/483634062.db2.gz WGEYSIDNVLXLMN-UHFFFAOYSA-N 2 2 361.450 -1.511 20 0 FAADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)CC(=O)N1CCN(c2cnccn2)CC1 ZINC000564988174 483634058 /nfs/dbraw/zinc/63/40/58/483634058.db2.gz WGEYSIDNVLXLMN-UHFFFAOYSA-N 2 2 361.450 -1.511 20 0 FAADLP Cc1nc(S(=O)(=O)N2CC[NH+](CCN3CC[NH2+]CC3)CC2)cn1C ZINC000564989207 482674865 /nfs/dbraw/zinc/67/48/65/482674865.db2.gz ULMPPSQUGHAFMP-UHFFFAOYSA-N 2 2 356.496 -1.060 20 0 FAADLP CN1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@@H](C[NH3+])C1 ZINC000565033440 482687528 /nfs/dbraw/zinc/68/75/28/482687528.db2.gz SPAWAHPKBYTIKC-CABCVRRESA-N 2 2 353.467 -1.732 20 0 FAADLP CN1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@@H](C[NH3+])C1 ZINC000565033441 482688352 /nfs/dbraw/zinc/68/83/52/482688352.db2.gz SPAWAHPKBYTIKC-GJZGRUSLSA-N 2 2 353.467 -1.732 20 0 FAADLP CN1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@H](C[NH3+])C1 ZINC000565033442 482688478 /nfs/dbraw/zinc/68/84/78/482688478.db2.gz SPAWAHPKBYTIKC-HUUCEWRRSA-N 2 2 353.467 -1.732 20 0 FAADLP CN1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@H](C[NH3+])C1 ZINC000565033443 482688530 /nfs/dbraw/zinc/68/85/30/482688530.db2.gz SPAWAHPKBYTIKC-LSDHHAIUSA-N 2 2 353.467 -1.732 20 0 FAADLP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000565098349 482697114 /nfs/dbraw/zinc/69/71/14/482697114.db2.gz YZLQDEXGYZSFAN-CYBMUJFWSA-N 2 2 351.451 -1.380 20 0 FAADLP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000565098349 482697108 /nfs/dbraw/zinc/69/71/08/482697108.db2.gz YZLQDEXGYZSFAN-CYBMUJFWSA-N 2 2 351.451 -1.380 20 0 FAADLP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000565098353 482697929 /nfs/dbraw/zinc/69/79/29/482697929.db2.gz YZLQDEXGYZSFAN-ZDUSSCGKSA-N 2 2 351.451 -1.380 20 0 FAADLP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000565098353 482697922 /nfs/dbraw/zinc/69/79/22/482697922.db2.gz YZLQDEXGYZSFAN-ZDUSSCGKSA-N 2 2 351.451 -1.380 20 0 FAADLP [NH3+][C@H]1C[C@H]2C[N@@H+](CC(=O)N3CCN(c4cnccn4)CC3)CCN2C1=O ZINC000565240668 483635524 /nfs/dbraw/zinc/63/55/24/483635524.db2.gz ZZSWBHDTWRXGKW-KBPBESRZSA-N 2 2 359.434 -1.631 20 0 FAADLP [NH3+][C@H]1C[C@H]2C[N@H+](CC(=O)N3CCN(c4cnccn4)CC3)CCN2C1=O ZINC000565240668 483635520 /nfs/dbraw/zinc/63/55/20/483635520.db2.gz ZZSWBHDTWRXGKW-KBPBESRZSA-N 2 2 359.434 -1.631 20 0 FAADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](CC(=O)N3CCN(c4cnccn4)CC3)CCN2C1=O ZINC000565240669 483636550 /nfs/dbraw/zinc/63/65/50/483636550.db2.gz ZZSWBHDTWRXGKW-KGLIPLIRSA-N 2 2 359.434 -1.631 20 0 FAADLP [NH3+][C@H]1C[C@@H]2C[N@H+](CC(=O)N3CCN(c4cnccn4)CC3)CCN2C1=O ZINC000565240669 483636545 /nfs/dbraw/zinc/63/65/45/483636545.db2.gz ZZSWBHDTWRXGKW-KGLIPLIRSA-N 2 2 359.434 -1.631 20 0 FAADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](CC(=O)N3CCN(c4cnccn4)CC3)CCN2C1=O ZINC000565240670 483635825 /nfs/dbraw/zinc/63/58/25/483635825.db2.gz ZZSWBHDTWRXGKW-UONOGXRCSA-N 2 2 359.434 -1.631 20 0 FAADLP [NH3+][C@@H]1C[C@H]2C[N@H+](CC(=O)N3CCN(c4cnccn4)CC3)CCN2C1=O ZINC000565240670 483635823 /nfs/dbraw/zinc/63/58/23/483635823.db2.gz ZZSWBHDTWRXGKW-UONOGXRCSA-N 2 2 359.434 -1.631 20 0 FAADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CC(=O)N3CCN(c4cnccn4)CC3)CCN2C1=O ZINC000565240671 483636833 /nfs/dbraw/zinc/63/68/33/483636833.db2.gz ZZSWBHDTWRXGKW-ZIAGYGMSSA-N 2 2 359.434 -1.631 20 0 FAADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](CC(=O)N3CCN(c4cnccn4)CC3)CCN2C1=O ZINC000565240671 483636824 /nfs/dbraw/zinc/63/68/24/483636824.db2.gz ZZSWBHDTWRXGKW-ZIAGYGMSSA-N 2 2 359.434 -1.631 20 0 FAADLP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)NCc3ccn4cc[nH+]c4c3)CCN2C1=O ZINC000565255900 483636219 /nfs/dbraw/zinc/63/62/19/483636219.db2.gz XOKQNFJPAQQWRL-CHWSQXEVSA-N 2 2 356.386 -1.279 20 0 FAADLP [NH3+][C@H]1C[C@@H]2CN(C(=O)C(=O)NCc3ccn4cc[nH+]c4c3)CCN2C1=O ZINC000565255904 483636585 /nfs/dbraw/zinc/63/65/85/483636585.db2.gz XOKQNFJPAQQWRL-OLZOCXBDSA-N 2 2 356.386 -1.279 20 0 FAADLP [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)NCc3ccn4cc[nH+]c4c3)CCN2C1=O ZINC000565255907 483636291 /nfs/dbraw/zinc/63/62/91/483636291.db2.gz XOKQNFJPAQQWRL-QWHCGFSZSA-N 2 2 356.386 -1.279 20 0 FAADLP [NH3+][C@H]1C[C@H]2CN(C(=O)C(=O)NCc3ccn4cc[nH+]c4c3)CCN2C1=O ZINC000565255910 483635586 /nfs/dbraw/zinc/63/55/86/483635586.db2.gz XOKQNFJPAQQWRL-STQMWFEESA-N 2 2 356.386 -1.279 20 0 FAADLP C[C@H](C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)N1CC[NH+](C)CC1 ZINC000565895412 483640418 /nfs/dbraw/zinc/64/04/18/483640418.db2.gz SRLOBLBYHXMRFD-CYBMUJFWSA-N 2 2 359.496 -1.932 20 0 FAADLP C[C@@H](C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)N1CC[NH+](C)CC1 ZINC000565895422 483641382 /nfs/dbraw/zinc/64/13/82/483641382.db2.gz SRLOBLBYHXMRFD-ZDUSSCGKSA-N 2 2 359.496 -1.932 20 0 FAADLP C[N@H+]1CCN(C(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)[C@@H](C[NH3+])C1 ZINC000566008375 483759200 /nfs/dbraw/zinc/75/92/00/483759200.db2.gz AAFSIODJBSTEKU-JTQLQIEISA-N 2 2 361.406 -0.517 20 0 FAADLP C[N@@H+]1CCN(C(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)[C@@H](C[NH3+])C1 ZINC000566008375 483759198 /nfs/dbraw/zinc/75/91/98/483759198.db2.gz AAFSIODJBSTEKU-JTQLQIEISA-N 2 2 361.406 -0.517 20 0 FAADLP C[N@H+]1CCN(C(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)[C@H](C[NH3+])C1 ZINC000566008376 483759123 /nfs/dbraw/zinc/75/91/23/483759123.db2.gz AAFSIODJBSTEKU-SNVBAGLBSA-N 2 2 361.406 -0.517 20 0 FAADLP C[N@@H+]1CCN(C(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)[C@H](C[NH3+])C1 ZINC000566008376 483759119 /nfs/dbraw/zinc/75/91/19/483759119.db2.gz AAFSIODJBSTEKU-SNVBAGLBSA-N 2 2 361.406 -0.517 20 0 FAADLP O=C(CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[NH2+]CC1 ZINC000566071441 483641401 /nfs/dbraw/zinc/64/14/01/483641401.db2.gz VKEZAUMHLOLLKT-AWEZNQCLSA-N 2 2 367.450 -2.285 20 0 FAADLP O=C(CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[NH2+]CC1 ZINC000566071448 483641462 /nfs/dbraw/zinc/64/14/62/483641462.db2.gz VKEZAUMHLOLLKT-CQSZACIVSA-N 2 2 367.450 -2.285 20 0 FAADLP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000566178568 483642887 /nfs/dbraw/zinc/64/28/87/483642887.db2.gz ZGXIHFRYPBTWDS-KBPBESRZSA-N 2 2 367.450 -2.096 20 0 FAADLP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000566178569 483642897 /nfs/dbraw/zinc/64/28/97/483642897.db2.gz ZGXIHFRYPBTWDS-KGLIPLIRSA-N 2 2 367.450 -2.096 20 0 FAADLP 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C[N@@H+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)[C@@H](C[NH3+])C1 ZINC000566244574 483642765 /nfs/dbraw/zinc/64/27/65/483642765.db2.gz WMKUCZAYPLECQL-HOTGVXAUSA-N 3 2 367.494 -1.199 20 0 FAADLP C[N@H+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)[C@H](C[NH3+])C1 ZINC000566244575 483642288 /nfs/dbraw/zinc/64/22/88/483642288.db2.gz WMKUCZAYPLECQL-HZPDHXFCSA-N 3 2 367.494 -1.199 20 0 FAADLP C[N@@H+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)[C@H](C[NH3+])C1 ZINC000566244575 483642280 /nfs/dbraw/zinc/64/22/80/483642280.db2.gz WMKUCZAYPLECQL-HZPDHXFCSA-N 3 2 367.494 -1.199 20 0 FAADLP C[N@H+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)[C@@H](C[NH3+])C1 ZINC000566244576 483642556 /nfs/dbraw/zinc/64/25/56/483642556.db2.gz WMKUCZAYPLECQL-JKSUJKDBSA-N 3 2 367.494 -1.199 20 0 FAADLP C[N@@H+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)[C@@H](C[NH3+])C1 ZINC000566244576 483642553 /nfs/dbraw/zinc/64/25/53/483642553.db2.gz WMKUCZAYPLECQL-JKSUJKDBSA-N 3 2 367.494 -1.199 20 0 FAADLP 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-1.471 20 0 FAADLP CCOCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000570069131 482717361 /nfs/dbraw/zinc/71/73/61/482717361.db2.gz QCYZUUJWAWDFEZ-OAHLLOKOSA-N 2 2 355.483 -1.471 20 0 FAADLP CCOCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000570069131 482717355 /nfs/dbraw/zinc/71/73/55/482717355.db2.gz QCYZUUJWAWDFEZ-OAHLLOKOSA-N 2 2 355.483 -1.471 20 0 FAADLP CC[NH+](CC)CCN(C(=O)CN1CC[NH2+]CC1=O)[C@H]1CCS(=O)(=O)C1 ZINC000570214224 482718282 /nfs/dbraw/zinc/71/82/82/482718282.db2.gz HTCGLYOBWBNAGI-AWEZNQCLSA-N 2 2 374.507 -1.224 20 0 FAADLP CC[NH+](CC)CCN(C(=O)CN1CC[NH2+]CC1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000570214225 482718459 /nfs/dbraw/zinc/71/84/59/482718459.db2.gz HTCGLYOBWBNAGI-CQSZACIVSA-N 2 2 374.507 -1.224 20 0 FAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)CC[NH2+]C3CC3)CC2)CC1 ZINC000570225307 482718054 /nfs/dbraw/zinc/71/80/54/482718054.db2.gz NGTRGCKOORAPBI-UHFFFAOYSA-N 2 2 359.496 -1.235 20 0 FAADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000570262808 482720616 /nfs/dbraw/zinc/72/06/16/482720616.db2.gz FIZYLAZNJHTXFX-UHFFFAOYSA-N 2 2 369.510 -1.079 20 0 FAADLP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000570262808 482720603 /nfs/dbraw/zinc/72/06/03/482720603.db2.gz FIZYLAZNJHTXFX-UHFFFAOYSA-N 2 2 369.510 -1.079 20 0 FAADLP C[N@H+]1CCN(C(=O)NCCNS(=O)(=O)c2cccnc2)[C@H](C[NH3+])C1 ZINC000570307221 482720270 /nfs/dbraw/zinc/72/02/70/482720270.db2.gz NJEQOXYUBNZJTA-GFCCVEGCSA-N 2 2 356.452 -1.356 20 0 FAADLP C[N@@H+]1CCN(C(=O)NCCNS(=O)(=O)c2cccnc2)[C@H](C[NH3+])C1 ZINC000570307221 482720268 /nfs/dbraw/zinc/72/02/68/482720268.db2.gz NJEQOXYUBNZJTA-GFCCVEGCSA-N 2 2 356.452 -1.356 20 0 FAADLP C[N@H+]1CCN(C(=O)NCCNS(=O)(=O)c2cccnc2)[C@@H](C[NH3+])C1 ZINC000570307226 482719959 /nfs/dbraw/zinc/71/99/59/482719959.db2.gz NJEQOXYUBNZJTA-LBPRGKRZSA-N 2 2 356.452 -1.356 20 0 FAADLP C[N@@H+]1CCN(C(=O)NCCNS(=O)(=O)c2cccnc2)[C@@H](C[NH3+])C1 ZINC000570307226 482719954 /nfs/dbraw/zinc/71/99/54/482719954.db2.gz NJEQOXYUBNZJTA-LBPRGKRZSA-N 2 2 356.452 -1.356 20 0 FAADLP C[NH+](C[C@@H](O)CN1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)CC(O)C1)C1CC1 ZINC000570367081 482720121 /nfs/dbraw/zinc/72/01/21/482720121.db2.gz MCRYDEHJUMMVOZ-QZTJIDSGSA-N 3 2 370.538 -1.125 20 0 FAADLP C[NH+](C[C@@H](O)CN1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)CC(O)C1)C1CC1 ZINC000570367081 482720114 /nfs/dbraw/zinc/72/01/14/482720114.db2.gz MCRYDEHJUMMVOZ-QZTJIDSGSA-N 3 2 370.538 -1.125 20 0 FAADLP C[NH+](C[C@@H](O)C[NH+]1CCN(C[C@H](O)C[N@H+](C)C2CC2)CC(O)C1)C1CC1 ZINC000570367081 482720110 /nfs/dbraw/zinc/72/01/10/482720110.db2.gz MCRYDEHJUMMVOZ-QZTJIDSGSA-N 3 2 370.538 -1.125 20 0 FAADLP C[NH+](C[C@@H](O)C[NH+]1CCN(C[C@H](O)C[N@@H+](C)C2CC2)CC(O)C1)C1CC1 ZINC000570367081 482720106 /nfs/dbraw/zinc/72/01/06/482720106.db2.gz MCRYDEHJUMMVOZ-QZTJIDSGSA-N 3 2 370.538 -1.125 20 0 FAADLP C[NH+](C[C@H](O)CN1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)CC(O)C1)C1CC1 ZINC000570367083 482720535 /nfs/dbraw/zinc/72/05/35/482720535.db2.gz MCRYDEHJUMMVOZ-ROUUACIJSA-N 3 2 370.538 -1.125 20 0 FAADLP C[NH+](C[C@H](O)CN1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)CC(O)C1)C1CC1 ZINC000570367083 482720530 /nfs/dbraw/zinc/72/05/30/482720530.db2.gz MCRYDEHJUMMVOZ-ROUUACIJSA-N 3 2 370.538 -1.125 20 0 FAADLP C[NH+](C[C@H](O)C[NH+]1CCN(C[C@@H](O)C[N@H+](C)C2CC2)CC(O)C1)C1CC1 ZINC000570367083 482720526 /nfs/dbraw/zinc/72/05/26/482720526.db2.gz MCRYDEHJUMMVOZ-ROUUACIJSA-N 3 2 370.538 -1.125 20 0 FAADLP C[NH+](C[C@H](O)C[NH+]1CCN(C[C@@H](O)C[N@@H+](C)C2CC2)CC(O)C1)C1CC1 ZINC000570367083 482720525 /nfs/dbraw/zinc/72/05/25/482720525.db2.gz MCRYDEHJUMMVOZ-ROUUACIJSA-N 3 2 370.538 -1.125 20 0 FAADLP C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)CCOC2C[NH2+]C2)CC1 ZINC000570512866 482721489 /nfs/dbraw/zinc/72/14/89/482721489.db2.gz UVROVNLCUCJADL-AWEZNQCLSA-N 2 2 354.451 -1.244 20 0 FAADLP C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)CCOC2C[NH2+]C2)CC1 ZINC000570512867 482722241 /nfs/dbraw/zinc/72/22/41/482722241.db2.gz UVROVNLCUCJADL-CQSZACIVSA-N 2 2 354.451 -1.244 20 0 FAADLP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)NCc3cn4ccccc4[nH+]3)CCN2C1=O ZINC000570653806 482724578 /nfs/dbraw/zinc/72/45/78/482724578.db2.gz YBSKACGWQQXMSH-CHWSQXEVSA-N 2 2 356.386 -1.279 20 0 FAADLP [NH3+][C@H]1C[C@@H]2CN(C(=O)C(=O)NCc3cn4ccccc4[nH+]3)CCN2C1=O ZINC000570653810 482724939 /nfs/dbraw/zinc/72/49/39/482724939.db2.gz YBSKACGWQQXMSH-OLZOCXBDSA-N 2 2 356.386 -1.279 20 0 FAADLP [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)NCc3cn4ccccc4[nH+]3)CCN2C1=O ZINC000570653812 482725061 /nfs/dbraw/zinc/72/50/61/482725061.db2.gz YBSKACGWQQXMSH-QWHCGFSZSA-N 2 2 356.386 -1.279 20 0 FAADLP [NH3+][C@H]1C[C@H]2CN(C(=O)C(=O)NCc3cn4ccccc4[nH+]3)CCN2C1=O ZINC000570653815 482725183 /nfs/dbraw/zinc/72/51/83/482725183.db2.gz YBSKACGWQQXMSH-STQMWFEESA-N 2 2 356.386 -1.279 20 0 FAADLP Cn1cc[nH+]c1CN1CCN(C(=O)C(=O)NCCOCC[NH+](C)C)CC1 ZINC000570670433 482726774 /nfs/dbraw/zinc/72/67/74/482726774.db2.gz PJLZBUSCRLLBIT-UHFFFAOYSA-N 2 2 366.466 -1.241 20 0 FAADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000570927576 482730543 /nfs/dbraw/zinc/73/05/43/482730543.db2.gz HZEPJBMDBYJIFP-UHFFFAOYSA-N 3 2 357.499 -1.271 20 0 FAADLP C[NH+](C)CCn1ccc(C(=O)NCC(=O)NCC[NH+]2CCOCC2)n1 ZINC000571415579 482959205 /nfs/dbraw/zinc/95/92/05/482959205.db2.gz AZEYJFYTFSOKCA-UHFFFAOYSA-N 2 2 352.439 -1.377 20 0 FAADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000571416317 482960129 /nfs/dbraw/zinc/96/01/29/482960129.db2.gz KBSCHSKENHNLDX-GFCCVEGCSA-N 2 2 356.452 -1.100 20 0 FAADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000571416320 482959939 /nfs/dbraw/zinc/95/99/39/482959939.db2.gz KBSCHSKENHNLDX-LBPRGKRZSA-N 2 2 356.452 -1.100 20 0 FAADLP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)CN2CC[NH2+]CC2=O)c1 ZINC000571524138 482963787 /nfs/dbraw/zinc/96/37/87/482963787.db2.gz RMQKBPBYSSDWFW-UHFFFAOYSA-N 2 2 355.420 -1.706 20 0 FAADLP [NH3+]CCCn1cc(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)nn1 ZINC000572033597 483305272 /nfs/dbraw/zinc/30/52/72/483305272.db2.gz LVOFYXPAMONLKZ-UHFFFAOYSA-N 2 2 359.438 -1.031 20 0 FAADLP C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000572104213 483304943 /nfs/dbraw/zinc/30/49/43/483304943.db2.gz LJTZHHVZOPCOIR-BYNSBNAKSA-N 2 2 351.451 -1.221 20 0 FAADLP C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000572104218 483305829 /nfs/dbraw/zinc/30/58/29/483305829.db2.gz LJTZHHVZOPCOIR-KBXIAJHMSA-N 2 2 351.451 -1.221 20 0 FAADLP CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000572257985 483307201 /nfs/dbraw/zinc/30/72/01/483307201.db2.gz GKXGSPAUNRKWJV-CHWSQXEVSA-N 2 2 362.434 -1.074 20 0 FAADLP CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000572257986 483306473 /nfs/dbraw/zinc/30/64/73/483306473.db2.gz GKXGSPAUNRKWJV-OLZOCXBDSA-N 2 2 362.434 -1.074 20 0 FAADLP CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000572257987 483306601 /nfs/dbraw/zinc/30/66/01/483306601.db2.gz GKXGSPAUNRKWJV-QWHCGFSZSA-N 2 2 362.434 -1.074 20 0 FAADLP CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000572257988 483306702 /nfs/dbraw/zinc/30/67/02/483306702.db2.gz GKXGSPAUNRKWJV-STQMWFEESA-N 2 2 362.434 -1.074 20 0 FAADLP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)NCc3cn4c([nH+]3)CCCC4)CCN2C1=O ZINC000572258746 483306819 /nfs/dbraw/zinc/30/68/19/483306819.db2.gz VFPMGEPOFCMPHN-CHWSQXEVSA-N 2 2 360.418 -1.394 20 0 FAADLP [NH3+][C@H]1C[C@@H]2CN(C(=O)C(=O)NCc3cn4c([nH+]3)CCCC4)CCN2C1=O ZINC000572258748 483306403 /nfs/dbraw/zinc/30/64/03/483306403.db2.gz VFPMGEPOFCMPHN-OLZOCXBDSA-N 2 2 360.418 -1.394 20 0 FAADLP [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)NCc3cn4c([nH+]3)CCCC4)CCN2C1=O ZINC000572258749 483306984 /nfs/dbraw/zinc/30/69/84/483306984.db2.gz VFPMGEPOFCMPHN-QWHCGFSZSA-N 2 2 360.418 -1.394 20 0 FAADLP [NH3+][C@H]1C[C@H]2CN(C(=O)C(=O)NCc3cn4c([nH+]3)CCCC4)CCN2C1=O ZINC000572258750 483307026 /nfs/dbraw/zinc/30/70/26/483307026.db2.gz VFPMGEPOFCMPHN-STQMWFEESA-N 2 2 360.418 -1.394 20 0 FAADLP C[C@H](CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)S(C)(=O)=O ZINC000572271048 483306593 /nfs/dbraw/zinc/30/65/93/483306593.db2.gz FBFQEIQRVUOTOJ-GFCCVEGCSA-N 2 2 350.485 -1.513 20 0 FAADLP C[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)S(C)(=O)=O ZINC000572271049 483306941 /nfs/dbraw/zinc/30/69/41/483306941.db2.gz FBFQEIQRVUOTOJ-LBPRGKRZSA-N 2 2 350.485 -1.513 20 0 FAADLP C[C@@H](CNC(=O)C(=O)NCCC[NH+]1CCOCC1)CN1CC[NH+](C)CC1 ZINC000572384606 483311102 /nfs/dbraw/zinc/31/11/02/483311102.db2.gz GTXZTWMUINYDSH-INIZCTEOSA-N 2 2 369.510 -1.175 20 0 FAADLP C[C@@H](CNC(=O)C(=O)NCCC[NH+]1CCOCC1)C[NH+]1CCN(C)CC1 ZINC000572384606 483311094 /nfs/dbraw/zinc/31/10/94/483311094.db2.gz GTXZTWMUINYDSH-INIZCTEOSA-N 2 2 369.510 -1.175 20 0 FAADLP C[C@H](CNC(=O)C(=O)NCCC[NH+]1CCOCC1)CN1CC[NH+](C)CC1 ZINC000572384607 483311424 /nfs/dbraw/zinc/31/14/24/483311424.db2.gz GTXZTWMUINYDSH-MRXNPFEDSA-N 2 2 369.510 -1.175 20 0 FAADLP C[C@H](CNC(=O)C(=O)NCCC[NH+]1CCOCC1)C[NH+]1CCN(C)CC1 ZINC000572384607 483311423 /nfs/dbraw/zinc/31/14/23/483311423.db2.gz GTXZTWMUINYDSH-MRXNPFEDSA-N 2 2 369.510 -1.175 20 0 FAADLP CN1CC[NH2+]C[C@H]1CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000572527686 483527533 /nfs/dbraw/zinc/52/75/33/483527533.db2.gz IBBXGDJSPPDMSP-CABCVRRESA-N 2 2 353.467 -1.813 20 0 FAADLP CN1CC[NH2+]C[C@H]1CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000572527687 483527740 /nfs/dbraw/zinc/52/77/40/483527740.db2.gz IBBXGDJSPPDMSP-GJZGRUSLSA-N 2 2 353.467 -1.813 20 0 FAADLP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000572527688 483528590 /nfs/dbraw/zinc/52/85/90/483528590.db2.gz IBBXGDJSPPDMSP-HUUCEWRRSA-N 2 2 353.467 -1.813 20 0 FAADLP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000572527689 483528472 /nfs/dbraw/zinc/52/84/72/483528472.db2.gz IBBXGDJSPPDMSP-LSDHHAIUSA-N 2 2 353.467 -1.813 20 0 FAADLP CC(C)C[C@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000572619951 482693871 /nfs/dbraw/zinc/69/38/71/482693871.db2.gz XFYOYPCIGDILJG-CVEARBPZSA-N 2 2 369.510 -1.049 20 0 FAADLP CC(C)C[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000572619952 482693134 /nfs/dbraw/zinc/69/31/34/482693134.db2.gz XFYOYPCIGDILJG-HOTGVXAUSA-N 2 2 369.510 -1.049 20 0 FAADLP CC(C)C[C@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])[NH+]1CCOCC1 ZINC000572619953 482693694 /nfs/dbraw/zinc/69/36/94/482693694.db2.gz XFYOYPCIGDILJG-HZPDHXFCSA-N 2 2 369.510 -1.049 20 0 FAADLP CC(C)C[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])[NH+]1CCOCC1 ZINC000572619954 482693667 /nfs/dbraw/zinc/69/36/67/482693667.db2.gz XFYOYPCIGDILJG-JKSUJKDBSA-N 2 2 369.510 -1.049 20 0 FAADLP CO[C@H](C[NH3+])C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000572631250 482713687 /nfs/dbraw/zinc/71/36/87/482713687.db2.gz CVYILSWWRCDBAN-CYBMUJFWSA-N 2 2 350.423 -1.065 20 0 FAADLP CO[C@H](C[NH3+])C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000572631250 482713684 /nfs/dbraw/zinc/71/36/84/482713684.db2.gz CVYILSWWRCDBAN-CYBMUJFWSA-N 2 2 350.423 -1.065 20 0 FAADLP CO[C@@H](C[NH3+])C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000572631251 482713434 /nfs/dbraw/zinc/71/34/34/482713434.db2.gz CVYILSWWRCDBAN-ZDUSSCGKSA-N 2 2 350.423 -1.065 20 0 FAADLP CO[C@@H](C[NH3+])C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000572631251 482713431 /nfs/dbraw/zinc/71/34/31/482713431.db2.gz CVYILSWWRCDBAN-ZDUSSCGKSA-N 2 2 350.423 -1.065 20 0 FAADLP CN1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)[C@@H](C[NH3+])C1 ZINC000572944797 483662147 /nfs/dbraw/zinc/66/21/47/483662147.db2.gz ARYJJSQQHIXZMR-ARFHVFGLSA-N 2 2 367.494 -1.153 20 0 FAADLP CN1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)[C@H](C[NH3+])C1 ZINC000572944798 483661934 /nfs/dbraw/zinc/66/19/34/483661934.db2.gz ARYJJSQQHIXZMR-BZUAXINKSA-N 2 2 367.494 -1.153 20 0 FAADLP CN1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)[C@H](C[NH3+])C1 ZINC000572944799 483662360 /nfs/dbraw/zinc/66/23/60/483662360.db2.gz ARYJJSQQHIXZMR-OAGGEKHMSA-N 2 2 367.494 -1.153 20 0 FAADLP CN1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)[C@@H](C[NH3+])C1 ZINC000572944800 483662363 /nfs/dbraw/zinc/66/23/63/483662363.db2.gz ARYJJSQQHIXZMR-XHSDSOJGSA-N 2 2 367.494 -1.153 20 0 FAADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000572958638 483662415 /nfs/dbraw/zinc/66/24/15/483662415.db2.gz ZAMCBXDWPVMFGN-CVEARBPZSA-N 2 2 368.478 -1.308 20 0 FAADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000572958638 483662412 /nfs/dbraw/zinc/66/24/12/483662412.db2.gz ZAMCBXDWPVMFGN-CVEARBPZSA-N 2 2 368.478 -1.308 20 0 FAADLP C[C@H]1C[N@@H+](CCO)CCN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000572958639 483662264 /nfs/dbraw/zinc/66/22/64/483662264.db2.gz ZAMCBXDWPVMFGN-HOTGVXAUSA-N 2 2 368.478 -1.308 20 0 FAADLP C[C@H]1C[N@H+](CCO)CCN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000572958639 483662261 /nfs/dbraw/zinc/66/22/61/483662261.db2.gz ZAMCBXDWPVMFGN-HOTGVXAUSA-N 2 2 368.478 -1.308 20 0 FAADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000572958640 483662496 /nfs/dbraw/zinc/66/24/96/483662496.db2.gz ZAMCBXDWPVMFGN-HZPDHXFCSA-N 2 2 368.478 -1.308 20 0 FAADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000572958640 483662492 /nfs/dbraw/zinc/66/24/92/483662492.db2.gz ZAMCBXDWPVMFGN-HZPDHXFCSA-N 2 2 368.478 -1.308 20 0 FAADLP C[C@H]1C[N@@H+](CCO)CCN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000572958641 483662356 /nfs/dbraw/zinc/66/23/56/483662356.db2.gz ZAMCBXDWPVMFGN-JKSUJKDBSA-N 2 2 368.478 -1.308 20 0 FAADLP C[C@H]1C[N@H+](CCO)CCN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000572958641 483662355 /nfs/dbraw/zinc/66/23/55/483662355.db2.gz ZAMCBXDWPVMFGN-JKSUJKDBSA-N 2 2 368.478 -1.308 20 0 FAADLP COCC[NH+]1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000573303114 483662825 /nfs/dbraw/zinc/66/28/25/483662825.db2.gz TYFATAPKLXPNMQ-UHFFFAOYSA-N 3 2 357.499 -1.271 20 0 FAADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000573670435 483664679 /nfs/dbraw/zinc/66/46/79/483664679.db2.gz AAEIWINKSFRFRQ-AWEZNQCLSA-N 2 2 356.467 -1.262 20 0 FAADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000573670435 483664677 /nfs/dbraw/zinc/66/46/77/483664677.db2.gz AAEIWINKSFRFRQ-AWEZNQCLSA-N 2 2 356.467 -1.262 20 0 FAADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000573670436 483664725 /nfs/dbraw/zinc/66/47/25/483664725.db2.gz AAEIWINKSFRFRQ-CQSZACIVSA-N 2 2 356.467 -1.262 20 0 FAADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000573670436 483664724 /nfs/dbraw/zinc/66/47/24/483664724.db2.gz AAEIWINKSFRFRQ-CQSZACIVSA-N 2 2 356.467 -1.262 20 0 FAADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000573686520 483664743 /nfs/dbraw/zinc/66/47/43/483664743.db2.gz MXFRWDWYOMSQRJ-GXTWGEPZSA-N 2 2 351.451 -1.334 20 0 FAADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000573686523 483664332 /nfs/dbraw/zinc/66/43/32/483664332.db2.gz MXFRWDWYOMSQRJ-JSGCOSHPSA-N 2 2 351.451 -1.334 20 0 FAADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000573686524 483664493 /nfs/dbraw/zinc/66/44/93/483664493.db2.gz MXFRWDWYOMSQRJ-OCCSQVGLSA-N 2 2 351.451 -1.334 20 0 FAADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000573686526 483664612 /nfs/dbraw/zinc/66/46/12/483664612.db2.gz MXFRWDWYOMSQRJ-TZMCWYRMSA-N 2 2 351.451 -1.334 20 0 FAADLP C[NH+]1CCN(S(=O)(=O)N2CC[NH+](CC[C@@H]3CCNC3=O)CC2)CC1 ZINC000573784304 483664212 /nfs/dbraw/zinc/66/42/12/483664212.db2.gz LDFVAHCTOOURNJ-AWEZNQCLSA-N 2 2 359.496 -1.378 20 0 FAADLP C[NH+]1CCN(S(=O)(=O)N2CC[NH+](CC[C@H]3CCNC3=O)CC2)CC1 ZINC000573784305 483664404 /nfs/dbraw/zinc/66/44/04/483664404.db2.gz LDFVAHCTOOURNJ-CQSZACIVSA-N 2 2 359.496 -1.378 20 0 FAADLP CN(C(=O)COC1C[NH2+]C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000573805003 483664638 /nfs/dbraw/zinc/66/46/38/483664638.db2.gz XABMTKIAKMKAJL-UHFFFAOYSA-N 3 2 367.494 -1.328 20 0 FAADLP C[NH2+][C@@H](C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)c1cnn(C)c1 ZINC000574322859 483666243 /nfs/dbraw/zinc/66/62/43/483666243.db2.gz YVOQWLSIJUSABD-CYBMUJFWSA-N 2 2 356.452 -1.874 20 0 FAADLP C[NH2+][C@H](C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)c1cnn(C)c1 ZINC000574322860 483666386 /nfs/dbraw/zinc/66/63/86/483666386.db2.gz YVOQWLSIJUSABD-ZDUSSCGKSA-N 2 2 356.452 -1.874 20 0 FAADLP CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000574452566 483665806 /nfs/dbraw/zinc/66/58/06/483665806.db2.gz CFUHOPAFNGOJMT-GFCCVEGCSA-N 2 2 363.484 -2.078 20 0 FAADLP CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000574452566 483665804 /nfs/dbraw/zinc/66/58/04/483665804.db2.gz CFUHOPAFNGOJMT-GFCCVEGCSA-N 2 2 363.484 -2.078 20 0 FAADLP CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000574452569 483666117 /nfs/dbraw/zinc/66/61/17/483666117.db2.gz CFUHOPAFNGOJMT-LBPRGKRZSA-N 2 2 363.484 -2.078 20 0 FAADLP CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000574452569 483666115 /nfs/dbraw/zinc/66/61/15/483666115.db2.gz CFUHOPAFNGOJMT-LBPRGKRZSA-N 2 2 363.484 -2.078 20 0 FAADLP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)c1ccco1 ZINC000574466852 483666892 /nfs/dbraw/zinc/66/68/92/483666892.db2.gz UMPNOXKSRYTPTD-FRRDWIJNSA-N 2 2 363.418 -1.231 20 0 FAADLP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)c1ccco1 ZINC000574466853 483667065 /nfs/dbraw/zinc/66/70/65/483667065.db2.gz UMPNOXKSRYTPTD-JHJVBQTASA-N 2 2 363.418 -1.231 20 0 FAADLP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)c1ccco1 ZINC000574466854 483666582 /nfs/dbraw/zinc/66/65/82/483666582.db2.gz UMPNOXKSRYTPTD-RWMBFGLXSA-N 2 2 363.418 -1.231 20 0 FAADLP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)c1ccco1 ZINC000574466855 483666673 /nfs/dbraw/zinc/66/66/73/483666673.db2.gz UMPNOXKSRYTPTD-YNEHKIRRSA-N 2 2 363.418 -1.231 20 0 FAADLP CN1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)[C@@H](C[NH3+])C1 ZINC000574503442 483666990 /nfs/dbraw/zinc/66/69/90/483666990.db2.gz FZNAQLIDMFDAMA-HNNXBMFYSA-N 2 2 362.482 -1.117 20 0 FAADLP CN1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)[C@H](C[NH3+])C1 ZINC000574503443 483666697 /nfs/dbraw/zinc/66/66/97/483666697.db2.gz FZNAQLIDMFDAMA-OAHLLOKOSA-N 2 2 362.482 -1.117 20 0 FAADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000574790912 483667698 /nfs/dbraw/zinc/66/76/98/483667698.db2.gz HPFQRONHEYQJEG-CABCVRRESA-N 2 2 372.466 -2.025 20 0 FAADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000574790912 483667697 /nfs/dbraw/zinc/66/76/97/483667697.db2.gz HPFQRONHEYQJEG-CABCVRRESA-N 2 2 372.466 -2.025 20 0 FAADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000574790916 483667406 /nfs/dbraw/zinc/66/74/06/483667406.db2.gz HPFQRONHEYQJEG-GJZGRUSLSA-N 2 2 372.466 -2.025 20 0 FAADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000574790916 483667404 /nfs/dbraw/zinc/66/74/04/483667404.db2.gz HPFQRONHEYQJEG-GJZGRUSLSA-N 2 2 372.466 -2.025 20 0 FAADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000574790919 483667342 /nfs/dbraw/zinc/66/73/42/483667342.db2.gz HPFQRONHEYQJEG-HUUCEWRRSA-N 2 2 372.466 -2.025 20 0 FAADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000574790919 483667339 /nfs/dbraw/zinc/66/73/39/483667339.db2.gz HPFQRONHEYQJEG-HUUCEWRRSA-N 2 2 372.466 -2.025 20 0 FAADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000574790922 483667195 /nfs/dbraw/zinc/66/71/95/483667195.db2.gz HPFQRONHEYQJEG-LSDHHAIUSA-N 2 2 372.466 -2.025 20 0 FAADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000574790922 483667193 /nfs/dbraw/zinc/66/71/93/483667193.db2.gz HPFQRONHEYQJEG-LSDHHAIUSA-N 2 2 372.466 -2.025 20 0 FAADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCN(C)C(=O)C1 ZINC000574856246 483667728 /nfs/dbraw/zinc/66/77/28/483667728.db2.gz SZUDKOHELJYTKQ-UHFFFAOYSA-N 2 2 353.467 -1.229 20 0 FAADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCN(C)C(=O)C1 ZINC000574856246 483667726 /nfs/dbraw/zinc/66/77/26/483667726.db2.gz SZUDKOHELJYTKQ-UHFFFAOYSA-N 2 2 353.467 -1.229 20 0 FAADLP CO[C@@H](C[NH3+])C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000574878049 483668132 /nfs/dbraw/zinc/66/81/32/483668132.db2.gz RWCANGDFGKSUDV-HNNXBMFYSA-N 3 2 355.483 -1.343 20 0 FAADLP CO[C@H](C[NH3+])C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000574878056 483668405 /nfs/dbraw/zinc/66/84/05/483668405.db2.gz RWCANGDFGKSUDV-OAHLLOKOSA-N 3 2 355.483 -1.343 20 0 FAADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000574906870 482731189 /nfs/dbraw/zinc/73/11/89/482731189.db2.gz SOUAJWDKJCWHQG-UHFFFAOYSA-N 2 2 368.482 -1.386 20 0 FAADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000574981598 482781243 /nfs/dbraw/zinc/78/12/43/482781243.db2.gz SSXLSOTUKLHRJF-INIZCTEOSA-N 3 2 368.526 -1.428 20 0 FAADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000574981598 482781240 /nfs/dbraw/zinc/78/12/40/482781240.db2.gz SSXLSOTUKLHRJF-INIZCTEOSA-N 3 2 368.526 -1.428 20 0 FAADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000574981602 482781732 /nfs/dbraw/zinc/78/17/32/482781732.db2.gz SSXLSOTUKLHRJF-MRXNPFEDSA-N 3 2 368.526 -1.428 20 0 FAADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000574981602 482781724 /nfs/dbraw/zinc/78/17/24/482781724.db2.gz SSXLSOTUKLHRJF-MRXNPFEDSA-N 3 2 368.526 -1.428 20 0 FAADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000575038517 483667987 /nfs/dbraw/zinc/66/79/87/483667987.db2.gz FMLAPNWHFBFWMU-AWEZNQCLSA-N 2 2 368.482 -2.290 20 0 FAADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000575038518 483668334 /nfs/dbraw/zinc/66/83/34/483668334.db2.gz FMLAPNWHFBFWMU-CQSZACIVSA-N 2 2 368.482 -2.290 20 0 FAADLP C[NH+](C)C1CN(S(=O)(=O)CCCS(=O)(=O)N2CC([NH+](C)C)C2)C1 ZINC000575114135 483668160 /nfs/dbraw/zinc/66/81/60/483668160.db2.gz FFCNQQOKGVWXGT-UHFFFAOYSA-N 2 2 368.525 -1.472 20 0 FAADLP C[NH+](C)CCOCCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000575216173 483668338 /nfs/dbraw/zinc/66/83/38/483668338.db2.gz SMVDHOSQCVSYDA-HNNXBMFYSA-N 2 2 356.467 -1.139 20 0 FAADLP C[NH+](C)CCOCCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000575216174 483668419 /nfs/dbraw/zinc/66/84/19/483668419.db2.gz SMVDHOSQCVSYDA-OAHLLOKOSA-N 2 2 356.467 -1.139 20 0 FAADLP Cn1c2ncc(NC(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])cc2c(=O)n(C)c1=O ZINC000576250656 483669485 /nfs/dbraw/zinc/66/94/85/483669485.db2.gz UGPDHDGAQAAXTF-LLVKDONJSA-N 2 2 361.406 -1.261 20 0 FAADLP Cn1c2ncc(NC(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])cc2c(=O)n(C)c1=O ZINC000576250656 483669482 /nfs/dbraw/zinc/66/94/82/483669482.db2.gz UGPDHDGAQAAXTF-LLVKDONJSA-N 2 2 361.406 -1.261 20 0 FAADLP Cn1c2ncc(NC(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])cc2c(=O)n(C)c1=O ZINC000576250657 483669660 /nfs/dbraw/zinc/66/96/60/483669660.db2.gz UGPDHDGAQAAXTF-NSHDSACASA-N 2 2 361.406 -1.261 20 0 FAADLP Cn1c2ncc(NC(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])cc2c(=O)n(C)c1=O ZINC000576250657 483669659 /nfs/dbraw/zinc/66/96/59/483669659.db2.gz UGPDHDGAQAAXTF-NSHDSACASA-N 2 2 361.406 -1.261 20 0 FAADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000576530841 483670502 /nfs/dbraw/zinc/67/05/02/483670502.db2.gz ZXIWBSGFARHWQP-AWEZNQCLSA-N 2 2 353.467 -1.133 20 0 FAADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000576530841 483670498 /nfs/dbraw/zinc/67/04/98/483670498.db2.gz ZXIWBSGFARHWQP-AWEZNQCLSA-N 2 2 353.467 -1.133 20 0 FAADLP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000576634671 483763930 /nfs/dbraw/zinc/76/39/30/483763930.db2.gz AGIYAAHBTPPRFZ-AWEZNQCLSA-N 2 2 364.450 -0.588 20 0 FAADLP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000576634672 483763687 /nfs/dbraw/zinc/76/36/87/483763687.db2.gz 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MDEYRLYCSPZJIA-AGIUHOORSA-N 2 2 358.464 -1.877 20 0 FAADLP C[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)[C@@H](C[NH3+])C1 ZINC000581665886 483687678 /nfs/dbraw/zinc/68/76/78/483687678.db2.gz MDEYRLYCSPZJIA-AGIUHOORSA-N 2 2 358.464 -1.877 20 0 FAADLP C[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)[C@H](C[NH3+])C1 ZINC000581665887 483687697 /nfs/dbraw/zinc/68/76/97/483687697.db2.gz MDEYRLYCSPZJIA-FRRDWIJNSA-N 2 2 358.464 -1.877 20 0 FAADLP C[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)[C@H](C[NH3+])C1 ZINC000581665887 483687695 /nfs/dbraw/zinc/68/76/95/483687695.db2.gz MDEYRLYCSPZJIA-FRRDWIJNSA-N 2 2 358.464 -1.877 20 0 FAADLP C[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)[C@H](C[NH3+])C1 ZINC000581665888 483687390 /nfs/dbraw/zinc/68/73/90/483687390.db2.gz MDEYRLYCSPZJIA-JHJVBQTASA-N 2 2 358.464 -1.877 20 0 FAADLP C[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)[C@H](C[NH3+])C1 ZINC000581665888 483687387 /nfs/dbraw/zinc/68/73/87/483687387.db2.gz MDEYRLYCSPZJIA-JHJVBQTASA-N 2 2 358.464 -1.877 20 0 FAADLP C[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)[C@@H](C[NH3+])C1 ZINC000581665889 483687626 /nfs/dbraw/zinc/68/76/26/483687626.db2.gz MDEYRLYCSPZJIA-UPJWGTAASA-N 2 2 358.464 -1.877 20 0 FAADLP C[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)[C@@H](C[NH3+])C1 ZINC000581665889 483687623 /nfs/dbraw/zinc/68/76/23/483687623.db2.gz MDEYRLYCSPZJIA-UPJWGTAASA-N 2 2 358.464 -1.877 20 0 FAADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000581819465 483688247 /nfs/dbraw/zinc/68/82/47/483688247.db2.gz RTXHYMNWEMDEKQ-CYBMUJFWSA-N 2 2 372.433 -1.120 20 0 FAADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000581819466 483688326 /nfs/dbraw/zinc/68/83/26/483688326.db2.gz RTXHYMNWEMDEKQ-ZDUSSCGKSA-N 2 2 372.433 -1.120 20 0 FAADLP O=C(C[NH+]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1)N1CCCC1 ZINC000581945554 483688683 /nfs/dbraw/zinc/68/86/83/483688683.db2.gz HWAAAGQEIVGGMR-AWEZNQCLSA-N 2 2 351.451 -1.379 20 0 FAADLP O=C(C[NH+]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1)N1CCCC1 ZINC000581945555 483688985 /nfs/dbraw/zinc/68/89/85/483688985.db2.gz HWAAAGQEIVGGMR-CQSZACIVSA-N 2 2 351.451 -1.379 20 0 FAADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000582048460 482773258 /nfs/dbraw/zinc/77/32/58/482773258.db2.gz KJJHCKOFQOWKKA-UHFFFAOYSA-N 3 2 371.526 -1.147 20 0 FAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)[C@]3(C)CCC[NH2+]3)CC2)CC1 ZINC000582182127 483133550 /nfs/dbraw/zinc/13/35/50/483133550.db2.gz UDTQNSCABUDLFG-HNNXBMFYSA-N 2 2 359.496 -1.235 20 0 FAADLP COC(=O)CC[C@@H]([NH3+])C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000582239131 483195776 /nfs/dbraw/zinc/19/57/76/483195776.db2.gz NWCGSVHHDCOLPS-CYBMUJFWSA-N 2 2 350.423 -1.005 20 0 FAADLP COC(=O)CC[C@H]([NH3+])C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000582239132 483195224 /nfs/dbraw/zinc/19/52/24/483195224.db2.gz NWCGSVHHDCOLPS-ZDUSSCGKSA-N 2 2 350.423 -1.005 20 0 FAADLP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N2CCn3c[nH+]cc3C2)CC1 ZINC000582287004 483225154 /nfs/dbraw/zinc/22/51/54/483225154.db2.gz AYWCHSRNQNIROC-UHFFFAOYSA-N 2 2 374.445 -1.008 20 0 FAADLP Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000582963666 483269345 /nfs/dbraw/zinc/26/93/45/483269345.db2.gz ZYIXEUMJAWRRJP-AAEUAGOBSA-N 2 2 372.495 -1.195 20 0 FAADLP Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000582963666 483269342 /nfs/dbraw/zinc/26/93/42/483269342.db2.gz ZYIXEUMJAWRRJP-AAEUAGOBSA-N 2 2 372.495 -1.195 20 0 FAADLP Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000582963669 483269573 /nfs/dbraw/zinc/26/95/73/483269573.db2.gz ZYIXEUMJAWRRJP-DGCLKSJQSA-N 2 2 372.495 -1.195 20 0 FAADLP Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000582963669 483269570 /nfs/dbraw/zinc/26/95/70/483269570.db2.gz ZYIXEUMJAWRRJP-DGCLKSJQSA-N 2 2 372.495 -1.195 20 0 FAADLP Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000582963671 483270020 /nfs/dbraw/zinc/27/00/20/483270020.db2.gz ZYIXEUMJAWRRJP-WCQYABFASA-N 2 2 372.495 -1.195 20 0 FAADLP Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000582963671 483270015 /nfs/dbraw/zinc/27/00/15/483270015.db2.gz ZYIXEUMJAWRRJP-WCQYABFASA-N 2 2 372.495 -1.195 20 0 FAADLP Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000582963673 483270167 /nfs/dbraw/zinc/27/01/67/483270167.db2.gz ZYIXEUMJAWRRJP-YPMHNXCESA-N 2 2 372.495 -1.195 20 0 FAADLP Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000582963673 483270164 /nfs/dbraw/zinc/27/01/64/483270164.db2.gz ZYIXEUMJAWRRJP-YPMHNXCESA-N 2 2 372.495 -1.195 20 0 FAADLP C[N@H+]1CCN(C(=O)NCCS(=O)(=O)N2CCSCC2)[C@H](C[NH3+])C1 ZINC000583073171 483269988 /nfs/dbraw/zinc/26/99/88/483269988.db2.gz IBICLVQMMIIFRT-GFCCVEGCSA-N 2 2 365.525 -1.351 20 0 FAADLP C[N@@H+]1CCN(C(=O)NCCS(=O)(=O)N2CCSCC2)[C@H](C[NH3+])C1 ZINC000583073171 483269985 /nfs/dbraw/zinc/26/99/85/483269985.db2.gz IBICLVQMMIIFRT-GFCCVEGCSA-N 2 2 365.525 -1.351 20 0 FAADLP C[N@H+]1CCN(C(=O)NCCS(=O)(=O)N2CCSCC2)[C@@H](C[NH3+])C1 ZINC000583073172 483269658 /nfs/dbraw/zinc/26/96/58/483269658.db2.gz IBICLVQMMIIFRT-LBPRGKRZSA-N 2 2 365.525 -1.351 20 0 FAADLP C[N@@H+]1CCN(C(=O)NCCS(=O)(=O)N2CCSCC2)[C@@H](C[NH3+])C1 ZINC000583073172 483269654 /nfs/dbraw/zinc/26/96/54/483269654.db2.gz IBICLVQMMIIFRT-LBPRGKRZSA-N 2 2 365.525 -1.351 20 0 FAADLP O=C(CN1CC[NH2+]CC1=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000583319942 483273317 /nfs/dbraw/zinc/27/33/17/483273317.db2.gz QXURHSDHXMKXNZ-UHFFFAOYSA-N 2 2 361.450 -1.463 20 0 FAADLP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CCO1 ZINC000583928580 482531279 /nfs/dbraw/zinc/53/12/79/482531279.db2.gz INIGNVVSWNQYTA-CABCVRRESA-N 2 2 354.451 -1.114 20 0 FAADLP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CCO1 ZINC000583928581 482531460 /nfs/dbraw/zinc/53/14/60/482531460.db2.gz INIGNVVSWNQYTA-GJZGRUSLSA-N 2 2 354.451 -1.114 20 0 FAADLP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CCO1 ZINC000583928582 482531411 /nfs/dbraw/zinc/53/14/11/482531411.db2.gz INIGNVVSWNQYTA-HUUCEWRRSA-N 2 2 354.451 -1.114 20 0 FAADLP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CCO1 ZINC000583928583 482530341 /nfs/dbraw/zinc/53/03/41/482530341.db2.gz INIGNVVSWNQYTA-LSDHHAIUSA-N 2 2 354.451 -1.114 20 0 FAADLP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000583985663 482539278 /nfs/dbraw/zinc/53/92/78/482539278.db2.gz MHLYMEUMBMXCFS-AWEZNQCLSA-N 2 2 365.478 -1.003 20 0 FAADLP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000583985663 482539274 /nfs/dbraw/zinc/53/92/74/482539274.db2.gz MHLYMEUMBMXCFS-AWEZNQCLSA-N 2 2 365.478 -1.003 20 0 FAADLP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000583985664 482539977 /nfs/dbraw/zinc/53/99/77/482539977.db2.gz MHLYMEUMBMXCFS-CQSZACIVSA-N 2 2 365.478 -1.003 20 0 FAADLP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000583985664 482539969 /nfs/dbraw/zinc/53/99/69/482539969.db2.gz MHLYMEUMBMXCFS-CQSZACIVSA-N 2 2 365.478 -1.003 20 0 FAADLP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000583986338 482540061 /nfs/dbraw/zinc/54/00/61/482540061.db2.gz YJGSHNFSDKBBPE-CABCVRRESA-N 2 2 369.510 -1.348 20 0 FAADLP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000583986338 482540056 /nfs/dbraw/zinc/54/00/56/482540056.db2.gz YJGSHNFSDKBBPE-CABCVRRESA-N 2 2 369.510 -1.348 20 0 FAADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000583986338 482540053 /nfs/dbraw/zinc/54/00/53/482540053.db2.gz YJGSHNFSDKBBPE-CABCVRRESA-N 2 2 369.510 -1.348 20 0 FAADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000583986338 482540047 /nfs/dbraw/zinc/54/00/47/482540047.db2.gz YJGSHNFSDKBBPE-CABCVRRESA-N 2 2 369.510 -1.348 20 0 FAADLP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000583986339 482539620 /nfs/dbraw/zinc/53/96/20/482539620.db2.gz YJGSHNFSDKBBPE-GJZGRUSLSA-N 2 2 369.510 -1.348 20 0 FAADLP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000583986339 482539612 /nfs/dbraw/zinc/53/96/12/482539612.db2.gz YJGSHNFSDKBBPE-GJZGRUSLSA-N 2 2 369.510 -1.348 20 0 FAADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000583986339 482539608 /nfs/dbraw/zinc/53/96/08/482539608.db2.gz YJGSHNFSDKBBPE-GJZGRUSLSA-N 2 2 369.510 -1.348 20 0 FAADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000583986339 482539602 /nfs/dbraw/zinc/53/96/02/482539602.db2.gz YJGSHNFSDKBBPE-GJZGRUSLSA-N 2 2 369.510 -1.348 20 0 FAADLP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000583986340 482538206 /nfs/dbraw/zinc/53/82/06/482538206.db2.gz YJGSHNFSDKBBPE-HUUCEWRRSA-N 2 2 369.510 -1.348 20 0 FAADLP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000583986340 482538201 /nfs/dbraw/zinc/53/82/01/482538201.db2.gz YJGSHNFSDKBBPE-HUUCEWRRSA-N 2 2 369.510 -1.348 20 0 FAADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000583986340 482538197 /nfs/dbraw/zinc/53/81/97/482538197.db2.gz YJGSHNFSDKBBPE-HUUCEWRRSA-N 2 2 369.510 -1.348 20 0 FAADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000583986340 482538195 /nfs/dbraw/zinc/53/81/95/482538195.db2.gz YJGSHNFSDKBBPE-HUUCEWRRSA-N 2 2 369.510 -1.348 20 0 FAADLP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000583986341 482539409 /nfs/dbraw/zinc/53/94/09/482539409.db2.gz YJGSHNFSDKBBPE-LSDHHAIUSA-N 2 2 369.510 -1.348 20 0 FAADLP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000583986341 482539406 /nfs/dbraw/zinc/53/94/06/482539406.db2.gz YJGSHNFSDKBBPE-LSDHHAIUSA-N 2 2 369.510 -1.348 20 0 FAADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000583986341 482539402 /nfs/dbraw/zinc/53/94/02/482539402.db2.gz YJGSHNFSDKBBPE-LSDHHAIUSA-N 2 2 369.510 -1.348 20 0 FAADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000583986341 482539398 /nfs/dbraw/zinc/53/93/98/482539398.db2.gz YJGSHNFSDKBBPE-LSDHHAIUSA-N 2 2 369.510 -1.348 20 0 FAADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)C1 ZINC000584067158 482562039 /nfs/dbraw/zinc/56/20/39/482562039.db2.gz FKWQOKPIAUSHJP-INIZCTEOSA-N 2 2 369.510 -1.035 20 0 FAADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)C1 ZINC000584067158 482562033 /nfs/dbraw/zinc/56/20/33/482562033.db2.gz FKWQOKPIAUSHJP-INIZCTEOSA-N 2 2 369.510 -1.035 20 0 FAADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)C1 ZINC000584067159 482562625 /nfs/dbraw/zinc/56/26/25/482562625.db2.gz FKWQOKPIAUSHJP-MRXNPFEDSA-N 2 2 369.510 -1.035 20 0 FAADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)C1 ZINC000584067159 482562617 /nfs/dbraw/zinc/56/26/17/482562617.db2.gz FKWQOKPIAUSHJP-MRXNPFEDSA-N 2 2 369.510 -1.035 20 0 FAADLP Cn1c(N)c(C(=O)C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c(=O)n(C)c1=O ZINC000584292442 482653178 /nfs/dbraw/zinc/65/31/78/482653178.db2.gz VATBALWKPHQISB-RISCZKNCSA-N 2 2 365.434 -1.323 20 0 FAADLP CC(C)Nc1nc(NCCO)nc(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)[nH+]1 ZINC000584362045 483263466 /nfs/dbraw/zinc/26/34/66/483263466.db2.gz LJCOWHFLTCPLAI-GHMZBOCLSA-N 2 2 350.427 -2.312 20 0 FAADLP CC(C)Nc1nc(NCCO)[nH+]c(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)n1 ZINC000584362045 483263463 /nfs/dbraw/zinc/26/34/63/483263463.db2.gz LJCOWHFLTCPLAI-GHMZBOCLSA-N 2 2 350.427 -2.312 20 0 FAADLP CC(C)Nc1nc(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)nc(NCCO)[nH+]1 ZINC000584362045 483263458 /nfs/dbraw/zinc/26/34/58/483263458.db2.gz LJCOWHFLTCPLAI-GHMZBOCLSA-N 2 2 350.427 -2.312 20 0 FAADLP CC(C)Nc1nc(NCCO)nc(N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)[nH+]1 ZINC000584362046 483263420 /nfs/dbraw/zinc/26/34/20/483263420.db2.gz LJCOWHFLTCPLAI-MNOVXSKESA-N 2 2 350.427 -2.312 20 0 FAADLP CC(C)Nc1nc(NCCO)[nH+]c(N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)n1 ZINC000584362046 483263417 /nfs/dbraw/zinc/26/34/17/483263417.db2.gz LJCOWHFLTCPLAI-MNOVXSKESA-N 2 2 350.427 -2.312 20 0 FAADLP CC(C)Nc1nc(N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)nc(NCCO)[nH+]1 ZINC000584362046 483263414 /nfs/dbraw/zinc/26/34/14/483263414.db2.gz LJCOWHFLTCPLAI-MNOVXSKESA-N 2 2 350.427 -2.312 20 0 FAADLP CC(C)Nc1nc(NCCO)nc(N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)[nH+]1 ZINC000584362047 483263290 /nfs/dbraw/zinc/26/32/90/483263290.db2.gz LJCOWHFLTCPLAI-QWRGUYRKSA-N 2 2 350.427 -2.312 20 0 FAADLP CC(C)Nc1nc(NCCO)[nH+]c(N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)n1 ZINC000584362047 483263284 /nfs/dbraw/zinc/26/32/84/483263284.db2.gz LJCOWHFLTCPLAI-QWRGUYRKSA-N 2 2 350.427 -2.312 20 0 FAADLP CC(C)Nc1nc(N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)nc(NCCO)[nH+]1 ZINC000584362047 483263276 /nfs/dbraw/zinc/26/32/76/483263276.db2.gz LJCOWHFLTCPLAI-QWRGUYRKSA-N 2 2 350.427 -2.312 20 0 FAADLP CC(C)Nc1nc(NCCO)nc(N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)[nH+]1 ZINC000584362048 483263371 /nfs/dbraw/zinc/26/33/71/483263371.db2.gz LJCOWHFLTCPLAI-WDEREUQCSA-N 2 2 350.427 -2.312 20 0 FAADLP CC(C)Nc1nc(NCCO)[nH+]c(N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)n1 ZINC000584362048 483263367 /nfs/dbraw/zinc/26/33/67/483263367.db2.gz LJCOWHFLTCPLAI-WDEREUQCSA-N 2 2 350.427 -2.312 20 0 FAADLP CC(C)Nc1nc(N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)nc(NCCO)[nH+]1 ZINC000584362048 483263363 /nfs/dbraw/zinc/26/33/63/483263363.db2.gz LJCOWHFLTCPLAI-WDEREUQCSA-N 2 2 350.427 -2.312 20 0 FAADLP C[C@H]1CN(S(=O)(=O)N2CC[NH+](CCOCC[NH3+])CC2)C[C@H](C)O1 ZINC000584470506 483278390 /nfs/dbraw/zinc/27/83/90/483278390.db2.gz HRYFSPVCBPBSSM-KBPBESRZSA-N 2 2 350.485 -1.067 20 0 FAADLP C[C@@H]1CN(S(=O)(=O)N2CC[NH+](CCOCC[NH3+])CC2)C[C@H](C)O1 ZINC000584470507 483278259 /nfs/dbraw/zinc/27/82/59/483278259.db2.gz HRYFSPVCBPBSSM-OKILXGFUSA-N 2 2 350.485 -1.067 20 0 FAADLP C[C@@H]1CN(S(=O)(=O)N2CC[NH+](CCOCC[NH3+])CC2)C[C@@H](C)O1 ZINC000584470508 483277895 /nfs/dbraw/zinc/27/78/95/483277895.db2.gz HRYFSPVCBPBSSM-ZIAGYGMSSA-N 2 2 350.485 -1.067 20 0 FAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)[C@@H](C)C1 ZINC000591582275 482801699 /nfs/dbraw/zinc/80/16/99/482801699.db2.gz DOKGSRFPLALEIH-IHRRRGAJSA-N 2 2 370.450 -1.343 20 0 FAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)[C@@H](C)C1 ZINC000591582275 482801694 /nfs/dbraw/zinc/80/16/94/482801694.db2.gz DOKGSRFPLALEIH-IHRRRGAJSA-N 2 2 370.450 -1.343 20 0 FAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)[C@H](C)C1 ZINC000591582276 482801524 /nfs/dbraw/zinc/80/15/24/482801524.db2.gz DOKGSRFPLALEIH-MCIONIFRSA-N 2 2 370.450 -1.343 20 0 FAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)[C@H](C)C1 ZINC000591582276 482801518 /nfs/dbraw/zinc/80/15/18/482801518.db2.gz DOKGSRFPLALEIH-MCIONIFRSA-N 2 2 370.450 -1.343 20 0 FAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)[C@@H](C)C1 ZINC000591582277 482801480 /nfs/dbraw/zinc/80/14/80/482801480.db2.gz DOKGSRFPLALEIH-MJBXVCDLSA-N 2 2 370.450 -1.343 20 0 FAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)[C@@H](C)C1 ZINC000591582277 482801475 /nfs/dbraw/zinc/80/14/75/482801475.db2.gz DOKGSRFPLALEIH-MJBXVCDLSA-N 2 2 370.450 -1.343 20 0 FAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)[C@H](C)C1 ZINC000591582278 482801536 /nfs/dbraw/zinc/80/15/36/482801536.db2.gz DOKGSRFPLALEIH-RDBSUJKOSA-N 2 2 370.450 -1.343 20 0 FAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)[C@H](C)C1 ZINC000591582278 482801533 /nfs/dbraw/zinc/80/15/33/482801533.db2.gz DOKGSRFPLALEIH-RDBSUJKOSA-N 2 2 370.450 -1.343 20 0 FAADLP COC(=O)C[C@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000591973840 482804078 /nfs/dbraw/zinc/80/40/78/482804078.db2.gz ZDPQNCJAFDEAPT-ZDUSSCGKSA-N 2 2 350.423 -1.005 20 0 FAADLP CN(C(=O)Cn1cncn1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000592085968 482805937 /nfs/dbraw/zinc/80/59/37/482805937.db2.gz DJIILAKJIHSTKY-UHFFFAOYSA-N 2 2 363.466 -1.025 20 0 FAADLP COC(=O)C[C@H]([NH3+])C(=O)N1CC[NH+]([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000592136151 482806388 /nfs/dbraw/zinc/80/63/88/482806388.db2.gz JDEHCERRZZVCDP-OLZOCXBDSA-N 2 2 356.423 -1.732 20 0 FAADLP COC(=O)C[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000592136152 482806130 /nfs/dbraw/zinc/80/61/30/482806130.db2.gz JDEHCERRZZVCDP-STQMWFEESA-N 2 2 356.423 -1.732 20 0 FAADLP COC(=O)[C@@H]1C[C@H](O)C[N@H+](C[C@@H](O)C[NH+]2C[C@@H](O)C[C@H](C(=O)OC)C2)C1 ZINC000592203805 482807752 /nfs/dbraw/zinc/80/77/52/482807752.db2.gz HPOWBKXSMVAXEY-AICCOOGYSA-N 2 2 374.434 -1.941 20 0 FAADLP COC(=O)[C@@H]1C[C@H](O)C[N@@H+](C[C@@H](O)C[NH+]2C[C@@H](O)C[C@H](C(=O)OC)C2)C1 ZINC000592203805 482807746 /nfs/dbraw/zinc/80/77/46/482807746.db2.gz HPOWBKXSMVAXEY-AICCOOGYSA-N 2 2 374.434 -1.941 20 0 FAADLP COC(=O)[C@@H]1C[C@H](O)C[NH+](C[C@@H](O)C[N@@H+]2C[C@@H](O)C[C@H](C(=O)OC)C2)C1 ZINC000592203805 482807741 /nfs/dbraw/zinc/80/77/41/482807741.db2.gz HPOWBKXSMVAXEY-AICCOOGYSA-N 2 2 374.434 -1.941 20 0 FAADLP COC(=O)[C@@H]1C[C@H](O)C[NH+](C[C@@H](O)C[N@H+]2C[C@@H](O)C[C@H](C(=O)OC)C2)C1 ZINC000592203805 482807733 /nfs/dbraw/zinc/80/77/33/482807733.db2.gz HPOWBKXSMVAXEY-AICCOOGYSA-N 2 2 374.434 -1.941 20 0 FAADLP COC(=O)[C@@H]1C[C@H](O)C[N@H+](C[C@@H](O)C[NH+]2C[C@H](O)C[C@H](C(=O)OC)C2)C1 ZINC000592203810 482807623 /nfs/dbraw/zinc/80/76/23/482807623.db2.gz HPOWBKXSMVAXEY-AZOBVAEKSA-N 2 2 374.434 -1.941 20 0 FAADLP COC(=O)[C@@H]1C[C@H](O)C[N@@H+](C[C@@H](O)C[NH+]2C[C@H](O)C[C@H](C(=O)OC)C2)C1 ZINC000592203810 482807617 /nfs/dbraw/zinc/80/76/17/482807617.db2.gz HPOWBKXSMVAXEY-AZOBVAEKSA-N 2 2 374.434 -1.941 20 0 FAADLP COC(=O)[C@@H]1C[C@H](O)C[NH+](C[C@@H](O)C[N@@H+]2C[C@H](O)C[C@H](C(=O)OC)C2)C1 ZINC000592203810 482807611 /nfs/dbraw/zinc/80/76/11/482807611.db2.gz HPOWBKXSMVAXEY-AZOBVAEKSA-N 2 2 374.434 -1.941 20 0 FAADLP COC(=O)[C@@H]1C[C@H](O)C[NH+](C[C@@H](O)C[N@H+]2C[C@H](O)C[C@H](C(=O)OC)C2)C1 ZINC000592203810 482807606 /nfs/dbraw/zinc/80/76/06/482807606.db2.gz HPOWBKXSMVAXEY-AZOBVAEKSA-N 2 2 374.434 -1.941 20 0 FAADLP COC(=O)[C@@H]1C[C@H](O)C[NH+](CC(O)C[N@H+]2C[C@H](C(=O)OC)C[C@H](O)C2)C1 ZINC000592203812 482808763 /nfs/dbraw/zinc/80/87/63/482808763.db2.gz HPOWBKXSMVAXEY-MQYQWHSLSA-N 2 2 374.434 -1.941 20 0 FAADLP COC(=O)[C@@H]1C[C@H](O)C[NH+](CC(O)C[N@@H+]2C[C@H](C(=O)OC)C[C@H](O)C2)C1 ZINC000592203812 482808760 /nfs/dbraw/zinc/80/87/60/482808760.db2.gz HPOWBKXSMVAXEY-MQYQWHSLSA-N 2 2 374.434 -1.941 20 0 FAADLP COC(=O)[C@@H]1C[C@@H](O)C[N@H+](C[C@H](O)C[NH+]2C[C@H](C(=O)OC)C[C@H](O)C2)C1 ZINC000592203815 482808838 /nfs/dbraw/zinc/80/88/38/482808838.db2.gz HPOWBKXSMVAXEY-ZSAUSMIDSA-N 2 2 374.434 -1.941 20 0 FAADLP COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](C[C@H](O)C[NH+]2C[C@H](C(=O)OC)C[C@H](O)C2)C1 ZINC000592203815 482808836 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/nfs/dbraw/zinc/82/37/96/482823796.db2.gz SXPSAMIOSGXPSS-GHMZBOCLSA-N 2 2 361.406 -2.323 20 0 FAADLP Cn1c2ncn(CC[N@@H+]3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)c2c(=O)n(C)c1=O ZINC000594875101 482823789 /nfs/dbraw/zinc/82/37/89/482823789.db2.gz SXPSAMIOSGXPSS-GHMZBOCLSA-N 2 2 361.406 -2.323 20 0 FAADLP Cn1c2ncn(CC[N@H+]3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)c2c(=O)n(C)c1=O ZINC000594875102 482823765 /nfs/dbraw/zinc/82/37/65/482823765.db2.gz SXPSAMIOSGXPSS-MNOVXSKESA-N 2 2 361.406 -2.323 20 0 FAADLP Cn1c2ncn(CC[N@@H+]3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)c2c(=O)n(C)c1=O ZINC000594875102 482823760 /nfs/dbraw/zinc/82/37/60/482823760.db2.gz SXPSAMIOSGXPSS-MNOVXSKESA-N 2 2 361.406 -2.323 20 0 FAADLP Cn1c2ncn(CC[N@H+]3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)c2c(=O)n(C)c1=O ZINC000594875103 482824047 /nfs/dbraw/zinc/82/40/47/482824047.db2.gz SXPSAMIOSGXPSS-QWRGUYRKSA-N 2 2 361.406 -2.323 20 0 FAADLP Cn1c2ncn(CC[N@@H+]3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)c2c(=O)n(C)c1=O ZINC000594875103 482824044 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TUSPBNCCINULIO-AGIUHOORSA-N 2 2 353.423 -2.406 20 0 FAADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000595279774 482828367 /nfs/dbraw/zinc/82/83/67/482828367.db2.gz TUSPBNCCINULIO-FRRDWIJNSA-N 2 2 353.423 -2.406 20 0 FAADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000595279775 482827747 /nfs/dbraw/zinc/82/77/47/482827747.db2.gz TUSPBNCCINULIO-JHJVBQTASA-N 2 2 353.423 -2.406 20 0 FAADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000595279776 482828675 /nfs/dbraw/zinc/82/86/75/482828675.db2.gz TUSPBNCCINULIO-UPJWGTAASA-N 2 2 353.423 -2.406 20 0 FAADLP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)CCN2C1=O ZINC000595282680 482830545 /nfs/dbraw/zinc/83/05/45/482830545.db2.gz XHZRLGXTLLTSAN-BFHYXJOUSA-N 2 2 372.429 -1.453 20 0 FAADLP [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)CCN2C1=O ZINC000595282681 482829482 /nfs/dbraw/zinc/82/94/82/482829482.db2.gz XHZRLGXTLLTSAN-HZSPNIEDSA-N 2 2 372.429 -1.453 20 0 FAADLP [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)CCN2C1=O ZINC000595282682 482829976 /nfs/dbraw/zinc/82/99/76/482829976.db2.gz XHZRLGXTLLTSAN-MELADBBJSA-N 2 2 372.429 -1.453 20 0 FAADLP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)CCN2C1=O ZINC000595282683 482830403 /nfs/dbraw/zinc/83/04/03/482830403.db2.gz XHZRLGXTLLTSAN-MGPQQGTHSA-N 2 2 372.429 -1.453 20 0 FAADLP COC(=O)c1cccc(C[NH+]2C[C@@H](O)[C@@H](O)C2)c1C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000595338316 482829557 /nfs/dbraw/zinc/82/95/57/482829557.db2.gz QHUBXWQXNWLNPE-WNKDZCFJSA-N 2 2 366.414 -1.452 20 0 FAADLP COC(=O)c1cccc(C[NH+]2C[C@@H](O)[C@@H](O)C2)c1C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000595338316 482829554 /nfs/dbraw/zinc/82/95/54/482829554.db2.gz QHUBXWQXNWLNPE-WNKDZCFJSA-N 2 2 366.414 -1.452 20 0 FAADLP COC(=O)c1cccc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c1C[NH+]1C[C@@H](O)[C@@H](O)C1 ZINC000595338316 482829551 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/nfs/dbraw/zinc/83/87/54/482838754.db2.gz ZXDFWSLGTHYGHC-BFHYXJOUSA-N 2 2 365.434 -2.310 20 0 FAADLP [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)N3CC[NH+]([C@@H]4CCOC4)CC3)CCN2C1=O ZINC000595985291 482838600 /nfs/dbraw/zinc/83/86/00/482838600.db2.gz ZXDFWSLGTHYGHC-HZSPNIEDSA-N 2 2 365.434 -2.310 20 0 FAADLP [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)N3CC[NH+]([C@H]4CCOC4)CC3)CCN2C1=O ZINC000595985294 482838804 /nfs/dbraw/zinc/83/88/04/482838804.db2.gz ZXDFWSLGTHYGHC-MELADBBJSA-N 2 2 365.434 -2.310 20 0 FAADLP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CC[NH+]([C@@H]4CCOC4)CC3)CCN2C1=O ZINC000595985295 482838823 /nfs/dbraw/zinc/83/88/23/482838823.db2.gz ZXDFWSLGTHYGHC-MGPQQGTHSA-N 2 2 365.434 -2.310 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C[C@H](C)[N@@H+]1CCO ZINC000595985812 482838960 /nfs/dbraw/zinc/83/89/60/482838960.db2.gz BTGOWOGRFXKXIX-CRWXNKLISA-N 2 2 367.450 -2.330 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C[C@H](C)[N@H+]1CCO ZINC000595985812 482838957 /nfs/dbraw/zinc/83/89/57/482838957.db2.gz BTGOWOGRFXKXIX-CRWXNKLISA-N 2 2 367.450 -2.330 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C[C@H](C)[N@@H+]1CCO ZINC000595985815 482839080 /nfs/dbraw/zinc/83/90/80/482839080.db2.gz BTGOWOGRFXKXIX-RFQIPJPRSA-N 2 2 367.450 -2.330 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C[C@H](C)[N@H+]1CCO ZINC000595985815 482839076 /nfs/dbraw/zinc/83/90/76/482839076.db2.gz BTGOWOGRFXKXIX-RFQIPJPRSA-N 2 2 367.450 -2.330 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C[C@H](C)[N@@H+]1CCO ZINC000595985816 482839065 /nfs/dbraw/zinc/83/90/65/482839065.db2.gz BTGOWOGRFXKXIX-RQJABVFESA-N 2 2 367.450 -2.330 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C[C@H](C)[N@H+]1CCO ZINC000595985816 482839060 /nfs/dbraw/zinc/83/90/60/482839060.db2.gz BTGOWOGRFXKXIX-RQJABVFESA-N 2 2 367.450 -2.330 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C[C@H](C)[N@@H+]1CCO ZINC000595985817 482839199 /nfs/dbraw/zinc/83/91/99/482839199.db2.gz BTGOWOGRFXKXIX-XJFOESAGSA-N 2 2 367.450 -2.330 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C[C@H](C)[N@H+]1CCO ZINC000595985817 482839190 /nfs/dbraw/zinc/83/91/90/482839190.db2.gz BTGOWOGRFXKXIX-XJFOESAGSA-N 2 2 367.450 -2.330 20 0 FAADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000595987508 482838689 /nfs/dbraw/zinc/83/86/89/482838689.db2.gz MJNIPXSXOFZZLB-KBPBESRZSA-N 2 2 367.450 -2.063 20 0 FAADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000595987509 482839313 /nfs/dbraw/zinc/83/93/13/482839313.db2.gz MJNIPXSXOFZZLB-KGLIPLIRSA-N 2 2 367.450 -2.063 20 0 FAADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000595987510 482839122 /nfs/dbraw/zinc/83/91/22/482839122.db2.gz MJNIPXSXOFZZLB-UONOGXRCSA-N 2 2 367.450 -2.063 20 0 FAADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000595987511 482839033 /nfs/dbraw/zinc/83/90/33/482839033.db2.gz MJNIPXSXOFZZLB-ZIAGYGMSSA-N 2 2 367.450 -2.063 20 0 FAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000595988113 482841629 /nfs/dbraw/zinc/84/16/29/482841629.db2.gz OHKOLIMRLITGIK-CHWSQXEVSA-N 2 2 353.423 -2.453 20 0 FAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000595988114 482841863 /nfs/dbraw/zinc/84/18/63/482841863.db2.gz OHKOLIMRLITGIK-OLZOCXBDSA-N 2 2 353.423 -2.453 20 0 FAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000595988115 482840984 /nfs/dbraw/zinc/84/09/84/482840984.db2.gz OHKOLIMRLITGIK-QWHCGFSZSA-N 2 2 353.423 -2.453 20 0 FAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000595988117 482840812 /nfs/dbraw/zinc/84/08/12/482840812.db2.gz OHKOLIMRLITGIK-STQMWFEESA-N 2 2 353.423 -2.453 20 0 FAADLP CC1(C)CN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC[N@H+]1CCO ZINC000595988817 482841569 /nfs/dbraw/zinc/84/15/69/482841569.db2.gz DHHXYOBSNQCDHL-CHWSQXEVSA-N 2 2 367.450 -2.328 20 0 FAADLP CC1(C)CN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC[N@@H+]1CCO ZINC000595988817 482841565 /nfs/dbraw/zinc/84/15/65/482841565.db2.gz DHHXYOBSNQCDHL-CHWSQXEVSA-N 2 2 367.450 -2.328 20 0 FAADLP CC1(C)CN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC[N@H+]1CCO ZINC000595988818 482841726 /nfs/dbraw/zinc/84/17/26/482841726.db2.gz DHHXYOBSNQCDHL-OLZOCXBDSA-N 2 2 367.450 -2.328 20 0 FAADLP CC1(C)CN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC[N@@H+]1CCO ZINC000595988818 482841721 /nfs/dbraw/zinc/84/17/21/482841721.db2.gz DHHXYOBSNQCDHL-OLZOCXBDSA-N 2 2 367.450 -2.328 20 0 FAADLP CC1(C)CN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC[N@H+]1CCO ZINC000595988819 482841485 /nfs/dbraw/zinc/84/14/85/482841485.db2.gz DHHXYOBSNQCDHL-QWHCGFSZSA-N 2 2 367.450 -2.328 20 0 FAADLP CC1(C)CN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC[N@@H+]1CCO ZINC000595988819 482841477 /nfs/dbraw/zinc/84/14/77/482841477.db2.gz DHHXYOBSNQCDHL-QWHCGFSZSA-N 2 2 367.450 -2.328 20 0 FAADLP CC1(C)CN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC[N@H+]1CCO ZINC000595988820 482840827 /nfs/dbraw/zinc/84/08/27/482840827.db2.gz DHHXYOBSNQCDHL-STQMWFEESA-N 2 2 367.450 -2.328 20 0 FAADLP CC1(C)CN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC[N@@H+]1CCO ZINC000595988820 482840823 /nfs/dbraw/zinc/84/08/23/482840823.db2.gz DHHXYOBSNQCDHL-STQMWFEESA-N 2 2 367.450 -2.328 20 0 FAADLP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C[C@@H]1C ZINC000595992004 482843492 /nfs/dbraw/zinc/84/34/92/482843492.db2.gz OTKPERHNUJPFKY-IGQOVBAYSA-N 2 2 367.450 -2.330 20 0 FAADLP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C[C@@H]1C ZINC000595992004 482843485 /nfs/dbraw/zinc/84/34/85/482843485.db2.gz OTKPERHNUJPFKY-IGQOVBAYSA-N 2 2 367.450 -2.330 20 0 FAADLP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C[C@@H]1C ZINC000595992006 482843929 /nfs/dbraw/zinc/84/39/29/482843929.db2.gz OTKPERHNUJPFKY-XDQVBPFNSA-N 2 2 367.450 -2.330 20 0 FAADLP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C[C@@H]1C ZINC000595992006 482843926 /nfs/dbraw/zinc/84/39/26/482843926.db2.gz OTKPERHNUJPFKY-XDQVBPFNSA-N 2 2 367.450 -2.330 20 0 FAADLP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C[C@H]1C ZINC000595992008 482844029 /nfs/dbraw/zinc/84/40/29/482844029.db2.gz OTKPERHNUJPFKY-XJFOESAGSA-N 2 2 367.450 -2.330 20 0 FAADLP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C[C@H]1C ZINC000595992008 482844025 /nfs/dbraw/zinc/84/40/25/482844025.db2.gz OTKPERHNUJPFKY-XJFOESAGSA-N 2 2 367.450 -2.330 20 0 FAADLP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C[C@H]1C ZINC000595992011 482843949 /nfs/dbraw/zinc/84/39/49/482843949.db2.gz OTKPERHNUJPFKY-ZOBORPQBSA-N 2 2 367.450 -2.330 20 0 FAADLP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C[C@H]1C ZINC000595992011 482843943 /nfs/dbraw/zinc/84/39/43/482843943.db2.gz OTKPERHNUJPFKY-ZOBORPQBSA-N 2 2 367.450 -2.330 20 0 FAADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000595992032 482842798 /nfs/dbraw/zinc/84/27/98/482842798.db2.gz PJXJNBYCLVFUIE-CHWSQXEVSA-N 2 2 353.423 -2.453 20 0 FAADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000595992033 482843280 /nfs/dbraw/zinc/84/32/80/482843280.db2.gz PJXJNBYCLVFUIE-OLZOCXBDSA-N 2 2 353.423 -2.453 20 0 FAADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000595992034 482843626 /nfs/dbraw/zinc/84/36/26/482843626.db2.gz PJXJNBYCLVFUIE-QWHCGFSZSA-N 2 2 353.423 -2.453 20 0 FAADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595992035 482842970 /nfs/dbraw/zinc/84/29/70/482842970.db2.gz PJXJNBYCLVFUIE-STQMWFEESA-N 2 2 353.423 -2.453 20 0 FAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000595999209 482842883 /nfs/dbraw/zinc/84/28/83/482842883.db2.gz NASSRDOTHJWJSS-AVGNSLFASA-N 2 2 353.423 -2.718 20 0 FAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000595999214 482843771 /nfs/dbraw/zinc/84/37/71/482843771.db2.gz NASSRDOTHJWJSS-RWMBFGLXSA-N 2 2 353.423 -2.718 20 0 FAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000595999215 482843639 /nfs/dbraw/zinc/84/36/39/482843639.db2.gz NASSRDOTHJWJSS-XQQFMLRXSA-N 2 2 353.423 -2.718 20 0 FAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000595999216 482842860 /nfs/dbraw/zinc/84/28/60/482842860.db2.gz NASSRDOTHJWJSS-YNEHKIRRSA-N 2 2 353.423 -2.718 20 0 FAADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)C[C@@H]21 ZINC000596006607 482834055 /nfs/dbraw/zinc/83/40/55/482834055.db2.gz YEKFVOGFFJHWBU-RFQIPJPRSA-N 2 2 365.434 -2.312 20 0 FAADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)C[C@@H]21 ZINC000596006607 482834049 /nfs/dbraw/zinc/83/40/49/482834049.db2.gz YEKFVOGFFJHWBU-RFQIPJPRSA-N 2 2 365.434 -2.312 20 0 FAADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)C[C@@H]21 ZINC000596006609 482833342 /nfs/dbraw/zinc/83/33/42/482833342.db2.gz YEKFVOGFFJHWBU-XDQVBPFNSA-N 2 2 365.434 -2.312 20 0 FAADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)C[C@@H]21 ZINC000596006609 482833337 /nfs/dbraw/zinc/83/33/37/482833337.db2.gz YEKFVOGFFJHWBU-XDQVBPFNSA-N 2 2 365.434 -2.312 20 0 FAADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)C[C@@H]21 ZINC000596006611 482833459 /nfs/dbraw/zinc/83/34/59/482833459.db2.gz YEKFVOGFFJHWBU-YIYPIFLZSA-N 2 2 365.434 -2.312 20 0 FAADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)C[C@@H]21 ZINC000596006611 482833454 /nfs/dbraw/zinc/83/34/54/482833454.db2.gz YEKFVOGFFJHWBU-YIYPIFLZSA-N 2 2 365.434 -2.312 20 0 FAADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)C[C@@H]21 ZINC000596006613 482834114 /nfs/dbraw/zinc/83/41/14/482834114.db2.gz YEKFVOGFFJHWBU-ZOBORPQBSA-N 2 2 365.434 -2.312 20 0 FAADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)C[C@@H]21 ZINC000596006613 482834108 /nfs/dbraw/zinc/83/41/08/482834108.db2.gz YEKFVOGFFJHWBU-ZOBORPQBSA-N 2 2 365.434 -2.312 20 0 FAADLP CN(C(=O)C1(C(N)=O)CC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000597779738 482853272 /nfs/dbraw/zinc/85/32/72/482853272.db2.gz CTTWDUBEWCNARJ-UHFFFAOYSA-N 2 2 365.478 -1.051 20 0 FAADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000599094118 482863652 /nfs/dbraw/zinc/86/36/52/482863652.db2.gz IPFUAZOCNSDUFS-CVEARBPZSA-N 2 2 368.478 -1.308 20 0 FAADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000599094119 482864075 /nfs/dbraw/zinc/86/40/75/482864075.db2.gz IPFUAZOCNSDUFS-HZPDHXFCSA-N 2 2 368.478 -1.308 20 0 FAADLP COC(=O)c1cccc(C[NH+]2C[C@H](O)[C@@H](O)C2)c1C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000599531814 482870365 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C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000627308412 483705190 /nfs/dbraw/zinc/70/51/90/483705190.db2.gz PDQYKXLLLSABSU-UONOGXRCSA-N 2 2 354.451 -1.149 20 0 FAADLP CN(CCOCC[NH3+])C(=O)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000627311723 483706247 /nfs/dbraw/zinc/70/62/47/483706247.db2.gz FYWVTEILWJSJSE-INIZCTEOSA-N 2 2 374.507 -1.256 20 0 FAADLP CN(CCOCC[NH3+])C(=O)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000627311724 483706142 /nfs/dbraw/zinc/70/61/42/483706142.db2.gz FYWVTEILWJSJSE-MRXNPFEDSA-N 2 2 374.507 -1.256 20 0 FAADLP C[NH2+]CCOCCNC(=O)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000627311756 483706214 /nfs/dbraw/zinc/70/62/14/483706214.db2.gz GZHHCBCXJPZQIW-INIZCTEOSA-N 2 2 374.507 -1.337 20 0 FAADLP C[NH2+]CCOCCNC(=O)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000627311757 483705834 /nfs/dbraw/zinc/70/58/34/483705834.db2.gz GZHHCBCXJPZQIW-MRXNPFEDSA-N 2 2 374.507 -1.337 20 0 FAADLP O=C(NC[C@H]1COCC[NH2+]1)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000627312329 483706529 /nfs/dbraw/zinc/70/65/29/483706529.db2.gz WNZUUKUVSSXIAH-BBRMVZONSA-N 2 2 372.491 -1.585 20 0 FAADLP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000627312330 483706286 /nfs/dbraw/zinc/70/62/86/483706286.db2.gz WNZUUKUVSSXIAH-CJNGLKHVSA-N 2 2 372.491 -1.585 20 0 FAADLP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000627312331 483706437 /nfs/dbraw/zinc/70/64/37/483706437.db2.gz WNZUUKUVSSXIAH-CZUORRHYSA-N 2 2 372.491 -1.585 20 0 FAADLP O=C(NC[C@H]1COCC[NH2+]1)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000627312332 483706042 /nfs/dbraw/zinc/70/60/42/483706042.db2.gz WNZUUKUVSSXIAH-XJKSGUPXSA-N 2 2 372.491 -1.585 20 0 FAADLP [NH3+]CCCOCCNC(=O)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000627312448 483706207 /nfs/dbraw/zinc/70/62/07/483706207.db2.gz YXGOHUWGLCCDSN-INIZCTEOSA-N 2 2 374.507 -1.208 20 0 FAADLP [NH3+]CCCOCCNC(=O)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000627312449 483705804 /nfs/dbraw/zinc/70/58/04/483705804.db2.gz YXGOHUWGLCCDSN-MRXNPFEDSA-N 2 2 374.507 -1.208 20 0 FAADLP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000627312667 483707046 /nfs/dbraw/zinc/70/70/46/483707046.db2.gz FRCAQCXRELPTJM-ILXRZTDVSA-N 2 2 354.451 -1.149 20 0 FAADLP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000627312668 483707503 /nfs/dbraw/zinc/70/75/03/483707503.db2.gz FRCAQCXRELPTJM-KFWWJZLASA-N 2 2 354.451 -1.149 20 0 FAADLP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000627312669 483706886 /nfs/dbraw/zinc/70/68/86/483706886.db2.gz FRCAQCXRELPTJM-QLFBSQMISA-N 2 2 354.451 -1.149 20 0 FAADLP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000627312670 483707313 /nfs/dbraw/zinc/70/73/13/483707313.db2.gz FRCAQCXRELPTJM-RBSFLKMASA-N 2 2 354.451 -1.149 20 0 FAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC[C@H]3COCC[NH2+]3)C2)CC1 ZINC000627313399 483706868 /nfs/dbraw/zinc/70/68/68/483706868.db2.gz DMAPXFXLGHMDCE-KBPBESRZSA-N 3 2 353.467 -1.624 20 0 FAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@H]3COCC[NH2+]3)C2)CC1 ZINC000627313399 483706864 /nfs/dbraw/zinc/70/68/64/483706864.db2.gz DMAPXFXLGHMDCE-KBPBESRZSA-N 3 2 353.467 -1.624 20 0 FAADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3COCC[NH2+]3)C2)CC1 ZINC000627313400 483707143 /nfs/dbraw/zinc/70/71/43/483707143.db2.gz DMAPXFXLGHMDCE-KGLIPLIRSA-N 3 2 353.467 -1.624 20 0 FAADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3COCC[NH2+]3)C2)CC1 ZINC000627313400 483707140 /nfs/dbraw/zinc/70/71/40/483707140.db2.gz DMAPXFXLGHMDCE-KGLIPLIRSA-N 3 2 353.467 -1.624 20 0 FAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3COCC[NH2+]3)C2)CC1 ZINC000627313401 483707297 /nfs/dbraw/zinc/70/72/97/483707297.db2.gz DMAPXFXLGHMDCE-UONOGXRCSA-N 3 2 353.467 -1.624 20 0 FAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3COCC[NH2+]3)C2)CC1 ZINC000627313401 483707295 /nfs/dbraw/zinc/70/72/95/483707295.db2.gz DMAPXFXLGHMDCE-UONOGXRCSA-N 3 2 353.467 -1.624 20 0 FAADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3COCC[NH2+]3)C2)CC1 ZINC000627313402 483707328 /nfs/dbraw/zinc/70/73/28/483707328.db2.gz DMAPXFXLGHMDCE-ZIAGYGMSSA-N 3 2 353.467 -1.624 20 0 FAADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3COCC[NH2+]3)C2)CC1 ZINC000627313402 483707325 /nfs/dbraw/zinc/70/73/25/483707325.db2.gz DMAPXFXLGHMDCE-ZIAGYGMSSA-N 3 2 353.467 -1.624 20 0 FAADLP CN(CCOCC[NH3+])C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000627313577 483707406 /nfs/dbraw/zinc/70/74/06/483707406.db2.gz ISTAFOCXJUDNTI-AWEZNQCLSA-N 3 2 355.483 -1.295 20 0 FAADLP CN(CCOCC[NH3+])C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000627313577 483707404 /nfs/dbraw/zinc/70/74/04/483707404.db2.gz ISTAFOCXJUDNTI-AWEZNQCLSA-N 3 2 355.483 -1.295 20 0 FAADLP CN(CCOCC[NH3+])C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000627313578 483706742 /nfs/dbraw/zinc/70/67/42/483706742.db2.gz ISTAFOCXJUDNTI-CQSZACIVSA-N 3 2 355.483 -1.295 20 0 FAADLP CN(CCOCC[NH3+])C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000627313578 483706741 /nfs/dbraw/zinc/70/67/41/483706741.db2.gz ISTAFOCXJUDNTI-CQSZACIVSA-N 3 2 355.483 -1.295 20 0 FAADLP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000627313720 483707527 /nfs/dbraw/zinc/70/75/27/483707527.db2.gz LDUQHTFYFVQHME-HNNXBMFYSA-N 3 2 369.510 -1.035 20 0 FAADLP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000627313720 483707525 /nfs/dbraw/zinc/70/75/25/483707525.db2.gz LDUQHTFYFVQHME-HNNXBMFYSA-N 3 2 369.510 -1.035 20 0 FAADLP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000627313721 483707119 /nfs/dbraw/zinc/70/71/19/483707119.db2.gz LDUQHTFYFVQHME-OAHLLOKOSA-N 3 2 369.510 -1.035 20 0 FAADLP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000627313721 483707115 /nfs/dbraw/zinc/70/71/15/483707115.db2.gz LDUQHTFYFVQHME-OAHLLOKOSA-N 3 2 369.510 -1.035 20 0 FAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCOCCC[NH3+])C2)CC1 ZINC000627314305 483706952 /nfs/dbraw/zinc/70/69/52/483706952.db2.gz ZMFNOGCEMPYONK-AWEZNQCLSA-N 3 2 355.483 -1.247 20 0 FAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCOCCC[NH3+])C2)CC1 ZINC000627314305 483706950 /nfs/dbraw/zinc/70/69/50/483706950.db2.gz ZMFNOGCEMPYONK-AWEZNQCLSA-N 3 2 355.483 -1.247 20 0 FAADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCOCCC[NH3+])C2)CC1 ZINC000627314306 483707005 /nfs/dbraw/zinc/70/70/05/483707005.db2.gz ZMFNOGCEMPYONK-CQSZACIVSA-N 3 2 355.483 -1.247 20 0 FAADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCOCCC[NH3+])C2)CC1 ZINC000627314306 483707003 /nfs/dbraw/zinc/70/70/03/483707003.db2.gz ZMFNOGCEMPYONK-CQSZACIVSA-N 3 2 355.483 -1.247 20 0 FAADLP CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)[NH+]1CCN(C)CC1 ZINC000627325014 483708470 /nfs/dbraw/zinc/70/84/70/483708470.db2.gz WCQOVMGOBIBMGX-CABCVRRESA-N 2 2 355.483 -1.521 20 0 FAADLP CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)N1CC[NH+](C)CC1 ZINC000627325014 483708468 /nfs/dbraw/zinc/70/84/68/483708468.db2.gz WCQOVMGOBIBMGX-CABCVRRESA-N 2 2 355.483 -1.521 20 0 FAADLP CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)[NH+]1CCN(C)CC1 ZINC000627325015 483707789 /nfs/dbraw/zinc/70/77/89/483707789.db2.gz WCQOVMGOBIBMGX-GJZGRUSLSA-N 2 2 355.483 -1.521 20 0 FAADLP CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)N1CC[NH+](C)CC1 ZINC000627325015 483707788 /nfs/dbraw/zinc/70/77/88/483707788.db2.gz WCQOVMGOBIBMGX-GJZGRUSLSA-N 2 2 355.483 -1.521 20 0 FAADLP CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)[NH+]1CCN(C)CC1 ZINC000627325016 483707924 /nfs/dbraw/zinc/70/79/24/483707924.db2.gz WCQOVMGOBIBMGX-HUUCEWRRSA-N 2 2 355.483 -1.521 20 0 FAADLP CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)N1CC[NH+](C)CC1 ZINC000627325016 483707921 /nfs/dbraw/zinc/70/79/21/483707921.db2.gz WCQOVMGOBIBMGX-HUUCEWRRSA-N 2 2 355.483 -1.521 20 0 FAADLP CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)[NH+]1CCN(C)CC1 ZINC000627325017 483708339 /nfs/dbraw/zinc/70/83/39/483708339.db2.gz WCQOVMGOBIBMGX-LSDHHAIUSA-N 2 2 355.483 -1.521 20 0 FAADLP CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)N1CC[NH+](C)CC1 ZINC000627325017 483708336 /nfs/dbraw/zinc/70/83/36/483708336.db2.gz WCQOVMGOBIBMGX-LSDHHAIUSA-N 2 2 355.483 -1.521 20 0 FAADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000627351276 658833970 /nfs/dbraw/zinc/83/39/70/658833970.db2.gz NSLPLSJSKMSARS-AWEZNQCLSA-N 2 2 353.467 -1.277 20 0 FAADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000627351277 658834672 /nfs/dbraw/zinc/83/46/72/658834672.db2.gz NSLPLSJSKMSARS-CQSZACIVSA-N 2 2 353.467 -1.277 20 0 FAADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+]C[C@H]2C(C)C)CC1 ZINC000627365209 483716709 /nfs/dbraw/zinc/71/67/09/483716709.db2.gz IVIAXCHEBMNHKB-AWEZNQCLSA-N 2 2 353.467 -1.231 20 0 FAADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C(C)C)CC1 ZINC000627365210 483716818 /nfs/dbraw/zinc/71/68/18/483716818.db2.gz IVIAXCHEBMNHKB-CQSZACIVSA-N 2 2 353.467 -1.231 20 0 FAADLP Cn1cc[nH+]c1CNC(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627379441 483716580 /nfs/dbraw/zinc/71/65/80/483716580.db2.gz MBLRTYIPXPXTPC-UHFFFAOYSA-N 2 2 363.422 -1.794 20 0 FAADLP CCOC1CC(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)([NH+]2CCOCC2)C1 ZINC000627389176 483716915 /nfs/dbraw/zinc/71/69/15/483716915.db2.gz UURLTOHJFSBDQJ-TUBUQKNSSA-N 2 2 354.451 -1.149 20 0 FAADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627398598 483717772 /nfs/dbraw/zinc/71/77/72/483717772.db2.gz QPDQTHFSACKFMN-CABCVRRESA-N 2 2 355.483 -1.519 20 0 FAADLP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627398598 483717768 /nfs/dbraw/zinc/71/77/68/483717768.db2.gz QPDQTHFSACKFMN-CABCVRRESA-N 2 2 355.483 -1.519 20 0 FAADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627398599 483717800 /nfs/dbraw/zinc/71/78/00/483717800.db2.gz QPDQTHFSACKFMN-GJZGRUSLSA-N 2 2 355.483 -1.519 20 0 FAADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627398599 483717798 /nfs/dbraw/zinc/71/77/98/483717798.db2.gz QPDQTHFSACKFMN-GJZGRUSLSA-N 2 2 355.483 -1.519 20 0 FAADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627398600 483717273 /nfs/dbraw/zinc/71/72/73/483717273.db2.gz QPDQTHFSACKFMN-HUUCEWRRSA-N 2 2 355.483 -1.519 20 0 FAADLP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627398600 483717272 /nfs/dbraw/zinc/71/72/72/483717272.db2.gz QPDQTHFSACKFMN-HUUCEWRRSA-N 2 2 355.483 -1.519 20 0 FAADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627398601 483717306 /nfs/dbraw/zinc/71/73/06/483717306.db2.gz QPDQTHFSACKFMN-LSDHHAIUSA-N 2 2 355.483 -1.519 20 0 FAADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627398601 483717304 /nfs/dbraw/zinc/71/73/04/483717304.db2.gz QPDQTHFSACKFMN-LSDHHAIUSA-N 2 2 355.483 -1.519 20 0 FAADLP CCN1C(=O)CO[C@H](C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)[C@H]1c1[nH+]ccn1C ZINC000627425788 483718234 /nfs/dbraw/zinc/71/82/34/483718234.db2.gz ZSPKYYBZNOXGCP-JURCDPSOSA-N 2 2 365.434 -1.158 20 0 FAADLP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000627428793 483717995 /nfs/dbraw/zinc/71/79/95/483717995.db2.gz OXDQSKUWGHVFSH-RBSFLKMASA-N 2 2 366.462 -1.149 20 0 FAADLP O=C(NC[C@H]1COCC[NH2+]1)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000627428794 483718045 /nfs/dbraw/zinc/71/80/45/483718045.db2.gz OXDQSKUWGHVFSH-RRFJBIMHSA-N 2 2 366.462 -1.149 20 0 FAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000627452917 483718762 /nfs/dbraw/zinc/71/87/62/483718762.db2.gz XSOYZSXGYBMLOV-UHFFFAOYSA-N 2 2 372.466 -1.582 20 0 FAADLP [NH3+]C1(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CCOCC1 ZINC000627453513 483718424 /nfs/dbraw/zinc/71/84/24/483718424.db2.gz PHFSRELFXYMDBB-AWEZNQCLSA-N 2 2 354.451 -1.066 20 0 FAADLP [NH3+]C1(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CCOCC1 ZINC000627453514 483718891 /nfs/dbraw/zinc/71/88/91/483718891.db2.gz PHFSRELFXYMDBB-CQSZACIVSA-N 2 2 354.451 -1.066 20 0 FAADLP [NH3+]C1(CNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CCOCC1 ZINC000627454894 483718823 /nfs/dbraw/zinc/71/88/23/483718823.db2.gz DDIZAFCSMXTFBO-AWEZNQCLSA-N 2 2 354.451 -1.066 20 0 FAADLP [NH3+]C1(CNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CCOCC1 ZINC000627454895 483718782 /nfs/dbraw/zinc/71/87/82/483718782.db2.gz DDIZAFCSMXTFBO-CQSZACIVSA-N 2 2 354.451 -1.066 20 0 FAADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000627455637 483718707 /nfs/dbraw/zinc/71/87/07/483718707.db2.gz DDVCZILOFHEVSF-UHFFFAOYSA-N 2 2 372.466 -1.584 20 0 FAADLP C[NH2+]CCOCCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000627461267 483718854 /nfs/dbraw/zinc/71/88/54/483718854.db2.gz KLRMXWTWPWVJMA-INIZCTEOSA-N 3 2 369.510 -1.035 20 0 FAADLP C[NH2+]CCOCCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000627461267 483718853 /nfs/dbraw/zinc/71/88/53/483718853.db2.gz KLRMXWTWPWVJMA-INIZCTEOSA-N 3 2 369.510 -1.035 20 0 FAADLP C[NH2+]CCOCCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000627461268 483718807 /nfs/dbraw/zinc/71/88/07/483718807.db2.gz KLRMXWTWPWVJMA-MRXNPFEDSA-N 3 2 369.510 -1.035 20 0 FAADLP C[NH2+]CCOCCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000627461268 483718805 /nfs/dbraw/zinc/71/88/05/483718805.db2.gz KLRMXWTWPWVJMA-MRXNPFEDSA-N 3 2 369.510 -1.035 20 0 FAADLP C[NH2+]CCOCCNC(=O)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000627462163 483718711 /nfs/dbraw/zinc/71/87/11/483718711.db2.gz KYDQVQREUSDPEL-UHFFFAOYSA-N 2 2 350.423 -1.214 20 0 FAADLP C[NH2+]CCOCCNC(=O)C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000627464170 483719644 /nfs/dbraw/zinc/71/96/44/483719644.db2.gz SVFQXJMWISRNTO-UHFFFAOYSA-N 2 2 352.439 -1.584 20 0 FAADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627469247 483719756 /nfs/dbraw/zinc/71/97/56/483719756.db2.gz OUEFXSJZULRPGH-CYBMUJFWSA-N 2 2 358.439 -2.103 20 0 FAADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627469248 483719363 /nfs/dbraw/zinc/71/93/63/483719363.db2.gz OUEFXSJZULRPGH-ZDUSSCGKSA-N 2 2 358.439 -2.103 20 0 FAADLP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000627469507 483719471 /nfs/dbraw/zinc/71/94/71/483719471.db2.gz WOKSVORIOACNCF-CABCVRRESA-N 2 2 354.451 -1.196 20 0 FAADLP O=C(NC[C@H]1COCC[NH2+]1)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000627469508 483719226 /nfs/dbraw/zinc/71/92/26/483719226.db2.gz WOKSVORIOACNCF-GJZGRUSLSA-N 2 2 354.451 -1.196 20 0 FAADLP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000627469509 483719378 /nfs/dbraw/zinc/71/93/78/483719378.db2.gz WOKSVORIOACNCF-HUUCEWRRSA-N 2 2 354.451 -1.196 20 0 FAADLP O=C(NC[C@H]1COCC[NH2+]1)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000627469510 483719692 /nfs/dbraw/zinc/71/96/92/483719692.db2.gz WOKSVORIOACNCF-LSDHHAIUSA-N 2 2 354.451 -1.196 20 0 FAADLP Cn1cc[nH+]c1CN1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627470718 483719545 /nfs/dbraw/zinc/71/95/45/483719545.db2.gz YBICARMRTPUFRZ-CYBMUJFWSA-N 2 2 350.423 -1.831 20 0 FAADLP Cn1cc[nH+]c1CN1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627470719 483719322 /nfs/dbraw/zinc/71/93/22/483719322.db2.gz YBICARMRTPUFRZ-ZDUSSCGKSA-N 2 2 350.423 -1.831 20 0 FAADLP O=C(NC[C@H]1COCC[NH2+]1)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000627471548 483719063 /nfs/dbraw/zinc/71/90/63/483719063.db2.gz QTGNTAVVBOIRPW-GJZGRUSLSA-N 2 2 354.451 -1.338 20 0 FAADLP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000627471549 483719104 /nfs/dbraw/zinc/71/91/04/483719104.db2.gz QTGNTAVVBOIRPW-LSDHHAIUSA-N 2 2 354.451 -1.338 20 0 FAADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627472034 483719252 /nfs/dbraw/zinc/71/92/52/483719252.db2.gz FKLFALKSYNVJTP-CYBMUJFWSA-N 2 2 355.439 -2.287 20 0 FAADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627472035 483719568 /nfs/dbraw/zinc/71/95/68/483719568.db2.gz FKLFALKSYNVJTP-ZDUSSCGKSA-N 2 2 355.439 -2.287 20 0 FAADLP O=C(NC[C@H]1COCC[NH2+]1)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000627472908 483719269 /nfs/dbraw/zinc/71/92/69/483719269.db2.gz BRBZACURDZYBGS-HNNXBMFYSA-N 2 2 354.451 -1.338 20 0 FAADLP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000627472909 483720009 /nfs/dbraw/zinc/72/00/09/483720009.db2.gz BRBZACURDZYBGS-OAHLLOKOSA-N 2 2 354.451 -1.338 20 0 FAADLP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627475332 483720678 /nfs/dbraw/zinc/72/06/78/483720678.db2.gz KNNFLQHMQQTSFD-AWEZNQCLSA-N 2 2 356.467 -1.092 20 0 FAADLP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627475333 483720153 /nfs/dbraw/zinc/72/01/53/483720153.db2.gz KNNFLQHMQQTSFD-CQSZACIVSA-N 2 2 356.467 -1.092 20 0 FAADLP CN(C(=O)C(=O)NC[C@@H]1COCC[NH2+]1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000627475505 483720642 /nfs/dbraw/zinc/72/06/42/483720642.db2.gz NZXKWFYKTJIDOE-GDBMZVCRSA-N 2 2 367.494 -1.282 20 0 FAADLP CN(C(=O)C(=O)NC[C@@H]1COCC[NH2+]1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000627475505 483720640 /nfs/dbraw/zinc/72/06/40/483720640.db2.gz NZXKWFYKTJIDOE-GDBMZVCRSA-N 3 2 367.494 -1.282 20 0 FAADLP CN(C(=O)C(=O)NC[C@@H]1COCC[NH2+]1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000627475505 483720638 /nfs/dbraw/zinc/72/06/38/483720638.db2.gz NZXKWFYKTJIDOE-GDBMZVCRSA-N 3 2 367.494 -1.282 20 0 FAADLP CN(C(=O)C(=O)NC[C@H]1COCC[NH2+]1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000627475506 483720373 /nfs/dbraw/zinc/72/03/73/483720373.db2.gz NZXKWFYKTJIDOE-GOEBONIOSA-N 2 2 367.494 -1.282 20 0 FAADLP CN(C(=O)C(=O)NC[C@H]1COCC[NH2+]1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000627475506 483720371 /nfs/dbraw/zinc/72/03/71/483720371.db2.gz NZXKWFYKTJIDOE-GOEBONIOSA-N 3 2 367.494 -1.282 20 0 FAADLP CN(C(=O)C(=O)NC[C@H]1COCC[NH2+]1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000627475506 483720367 /nfs/dbraw/zinc/72/03/67/483720367.db2.gz NZXKWFYKTJIDOE-GOEBONIOSA-N 3 2 367.494 -1.282 20 0 FAADLP CN(C(=O)C(=O)NC[C@H]1COCC[NH2+]1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000627475507 483720002 /nfs/dbraw/zinc/72/00/02/483720002.db2.gz NZXKWFYKTJIDOE-HOCLYGCPSA-N 2 2 367.494 -1.282 20 0 FAADLP CN(C(=O)C(=O)NC[C@H]1COCC[NH2+]1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000627475507 483720001 /nfs/dbraw/zinc/72/00/01/483720001.db2.gz NZXKWFYKTJIDOE-HOCLYGCPSA-N 3 2 367.494 -1.282 20 0 FAADLP CN(C(=O)C(=O)NC[C@H]1COCC[NH2+]1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000627475507 483719999 /nfs/dbraw/zinc/71/99/99/483719999.db2.gz NZXKWFYKTJIDOE-HOCLYGCPSA-N 3 2 367.494 -1.282 20 0 FAADLP CN(C(=O)C(=O)NC[C@@H]1COCC[NH2+]1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000627475508 483720139 /nfs/dbraw/zinc/72/01/39/483720139.db2.gz NZXKWFYKTJIDOE-ZBFHGGJFSA-N 2 2 367.494 -1.282 20 0 FAADLP CN(C(=O)C(=O)NC[C@@H]1COCC[NH2+]1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000627475508 483720138 /nfs/dbraw/zinc/72/01/38/483720138.db2.gz NZXKWFYKTJIDOE-ZBFHGGJFSA-N 3 2 367.494 -1.282 20 0 FAADLP CN(C(=O)C(=O)NC[C@@H]1COCC[NH2+]1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000627475508 483720135 /nfs/dbraw/zinc/72/01/35/483720135.db2.gz NZXKWFYKTJIDOE-ZBFHGGJFSA-N 3 2 367.494 -1.282 20 0 FAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627475516 483720735 /nfs/dbraw/zinc/72/07/35/483720735.db2.gz OFVFVQKXWHSCOS-AWEZNQCLSA-N 2 2 358.439 -2.102 20 0 FAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627475517 483720627 /nfs/dbraw/zinc/72/06/27/483720627.db2.gz OFVFVQKXWHSCOS-CQSZACIVSA-N 2 2 358.439 -2.102 20 0 FAADLP O=C(NC[C@H]1COCC[NH2+]1)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000627475615 483720694 /nfs/dbraw/zinc/72/06/94/483720694.db2.gz QTGNTAVVBOIRPW-CABCVRRESA-N 2 2 354.451 -1.338 20 0 FAADLP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000627475616 483720012 /nfs/dbraw/zinc/72/00/12/483720012.db2.gz QTGNTAVVBOIRPW-HUUCEWRRSA-N 2 2 354.451 -1.338 20 0 FAADLP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627475981 483720385 /nfs/dbraw/zinc/72/03/85/483720385.db2.gz XVVXDXLZUUSREK-AWEZNQCLSA-N 2 2 355.483 -1.425 20 0 FAADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627475981 483720383 /nfs/dbraw/zinc/72/03/83/483720383.db2.gz XVVXDXLZUUSREK-AWEZNQCLSA-N 3 2 355.483 -1.425 20 0 FAADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627475981 483720381 /nfs/dbraw/zinc/72/03/81/483720381.db2.gz XVVXDXLZUUSREK-AWEZNQCLSA-N 3 2 355.483 -1.425 20 0 FAADLP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627475982 483719992 /nfs/dbraw/zinc/71/99/92/483719992.db2.gz XVVXDXLZUUSREK-CQSZACIVSA-N 2 2 355.483 -1.425 20 0 FAADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627475982 483719990 /nfs/dbraw/zinc/71/99/90/483719990.db2.gz XVVXDXLZUUSREK-CQSZACIVSA-N 3 2 355.483 -1.425 20 0 FAADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627475982 483719987 /nfs/dbraw/zinc/71/99/87/483719987.db2.gz XVVXDXLZUUSREK-CQSZACIVSA-N 3 2 355.483 -1.425 20 0 FAADLP Cn1cc[nH+]c1CN1CCN(C(=O)C(=O)NCCOCCC[NH3+])CC1 ZINC000627485296 483721282 /nfs/dbraw/zinc/72/12/82/483721282.db2.gz YDVCJAMOECUHIR-UHFFFAOYSA-N 2 2 352.439 -1.454 20 0 FAADLP Cc1nc(N2CCN(C(=O)C(=O)NCCOCCC[NH3+])CC2)cc[nH+]1 ZINC000627487866 483721135 /nfs/dbraw/zinc/72/11/35/483721135.db2.gz MMYQJBCCORABCG-UHFFFAOYSA-N 2 2 350.423 -1.085 20 0 FAADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000627501533 483721285 /nfs/dbraw/zinc/72/12/85/483721285.db2.gz OGOLUCVQUCJGGZ-WCQYABFASA-N 2 2 372.433 -1.122 20 0 FAADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627505847 483721735 /nfs/dbraw/zinc/72/17/35/483721735.db2.gz KPEGJIUBUMWCEG-LLVKDONJSA-N 2 2 358.406 -1.510 20 0 FAADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627507088 483721586 /nfs/dbraw/zinc/72/15/86/483721586.db2.gz ZXIWBSGFARHWQP-CQSZACIVSA-N 2 2 353.467 -1.133 20 0 FAADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627507088 483721582 /nfs/dbraw/zinc/72/15/82/483721582.db2.gz ZXIWBSGFARHWQP-CQSZACIVSA-N 2 2 353.467 -1.133 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000628215495 482707040 /nfs/dbraw/zinc/70/70/40/482707040.db2.gz KTTVCTSWYMQAOZ-ILXRZTDVSA-N 2 2 354.451 -1.245 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000628215495 482707036 /nfs/dbraw/zinc/70/70/36/482707036.db2.gz KTTVCTSWYMQAOZ-ILXRZTDVSA-N 2 2 354.451 -1.245 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)N2CCC[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000628215495 482707032 /nfs/dbraw/zinc/70/70/32/482707032.db2.gz KTTVCTSWYMQAOZ-ILXRZTDVSA-N 2 2 354.451 -1.245 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)N2CCC[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000628215495 482707021 /nfs/dbraw/zinc/70/70/21/482707021.db2.gz KTTVCTSWYMQAOZ-ILXRZTDVSA-N 2 2 354.451 -1.245 20 0 FAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000628215496 482707910 /nfs/dbraw/zinc/70/79/10/482707910.db2.gz KTTVCTSWYMQAOZ-KFWWJZLASA-N 2 2 354.451 -1.245 20 0 FAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000628215496 482707908 /nfs/dbraw/zinc/70/79/08/482707908.db2.gz KTTVCTSWYMQAOZ-KFWWJZLASA-N 2 2 354.451 -1.245 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)N2CCC[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000628215496 482707905 /nfs/dbraw/zinc/70/79/05/482707905.db2.gz KTTVCTSWYMQAOZ-KFWWJZLASA-N 2 2 354.451 -1.245 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)N2CCC[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000628215496 482707904 /nfs/dbraw/zinc/70/79/04/482707904.db2.gz KTTVCTSWYMQAOZ-KFWWJZLASA-N 2 2 354.451 -1.245 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000628215497 482708136 /nfs/dbraw/zinc/70/81/36/482708136.db2.gz KTTVCTSWYMQAOZ-QLFBSQMISA-N 2 2 354.451 -1.245 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000628215497 482708134 /nfs/dbraw/zinc/70/81/34/482708134.db2.gz KTTVCTSWYMQAOZ-QLFBSQMISA-N 2 2 354.451 -1.245 20 0 FAADLP C[NH+]1CCO[C@@H](C(=O)N2CCC[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000628215497 482708129 /nfs/dbraw/zinc/70/81/29/482708129.db2.gz KTTVCTSWYMQAOZ-QLFBSQMISA-N 2 2 354.451 -1.245 20 0 FAADLP C[NH+]1CCO[C@@H](C(=O)N2CCC[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000628215497 482708125 /nfs/dbraw/zinc/70/81/25/482708125.db2.gz KTTVCTSWYMQAOZ-QLFBSQMISA-N 2 2 354.451 -1.245 20 0 FAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000628215498 482707595 /nfs/dbraw/zinc/70/75/95/482707595.db2.gz KTTVCTSWYMQAOZ-RBSFLKMASA-N 2 2 354.451 -1.245 20 0 FAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000628215498 482707592 /nfs/dbraw/zinc/70/75/92/482707592.db2.gz KTTVCTSWYMQAOZ-RBSFLKMASA-N 2 2 354.451 -1.245 20 0 FAADLP C[NH+]1CCO[C@@H](C(=O)N2CCC[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000628215498 482707587 /nfs/dbraw/zinc/70/75/87/482707587.db2.gz KTTVCTSWYMQAOZ-RBSFLKMASA-N 2 2 354.451 -1.245 20 0 FAADLP C[NH+]1CCO[C@@H](C(=O)N2CCC[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000628215498 482707582 /nfs/dbraw/zinc/70/75/82/482707582.db2.gz KTTVCTSWYMQAOZ-RBSFLKMASA-N 2 2 354.451 -1.245 20 0 FAADLP C[NH+]1CCC[C@@H]1CNC(=O)CS(=O)(=O)CC(=O)NC[C@H]1CCC[N@H+]1C ZINC000628648201 483354183 /nfs/dbraw/zinc/35/41/83/483354183.db2.gz HPMGWHUCLWIQMZ-ZIAGYGMSSA-N 2 2 374.507 -1.178 20 0 FAADLP CCN1C(=O)CO[C@H](C(=O)NCC[N@H+]2CC[C@@H](O)C2)[C@H]1c1[nH+]ccn1C ZINC000629166856 483368261 /nfs/dbraw/zinc/36/82/61/483368261.db2.gz DCAPBURPFNVXIA-SNPRPXQTSA-N 2 2 365.434 -1.109 20 0 FAADLP CCN1C(=O)CO[C@H](C(=O)NCC[N@@H+]2CC[C@@H](O)C2)[C@H]1c1[nH+]ccn1C ZINC000629166856 483368259 /nfs/dbraw/zinc/36/82/59/483368259.db2.gz DCAPBURPFNVXIA-SNPRPXQTSA-N 2 2 365.434 -1.109 20 0 FAADLP O=C(NCC[N@@H+]1CC[C@@H](O)C1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000629176560 483368167 /nfs/dbraw/zinc/36/81/67/483368167.db2.gz YUMFNBKFLOHDLM-HUUCEWRRSA-N 2 2 354.451 -1.650 20 0 FAADLP O=C(NCC[N@H+]1CC[C@@H](O)C1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000629176560 483368164 /nfs/dbraw/zinc/36/81/64/483368164.db2.gz YUMFNBKFLOHDLM-HUUCEWRRSA-N 2 2 354.451 -1.650 20 0 FAADLP O=C(NCC[N@@H+]1CC[C@@H](O)C1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000629176563 483368647 /nfs/dbraw/zinc/36/86/47/483368647.db2.gz YUMFNBKFLOHDLM-LSDHHAIUSA-N 2 2 354.451 -1.650 20 0 FAADLP O=C(NCC[N@H+]1CC[C@@H](O)C1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000629176563 483368642 /nfs/dbraw/zinc/36/86/42/483368642.db2.gz YUMFNBKFLOHDLM-LSDHHAIUSA-N 2 2 354.451 -1.650 20 0 FAADLP C[NH+]1CCC[C@H]1CNC(=O)CS(=O)(=O)CC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000629451086 483374578 /nfs/dbraw/zinc/37/45/78/483374578.db2.gz HPMGWHUCLWIQMZ-KBPBESRZSA-N 2 2 374.507 -1.178 20 0 FAADLP CC(C)Cn1c(N)c(C(=O)C[N@@H+](C)CCOCC[NH3+])c(=O)n(C)c1=O ZINC000629577113 483389278 /nfs/dbraw/zinc/38/92/78/483389278.db2.gz FALLAZQLGOUCGE-UHFFFAOYSA-N 2 2 355.439 -1.125 20 0 FAADLP CC(C)Cn1c(N)c(C(=O)C[N@H+](C)CCOCC[NH3+])c(=O)n(C)c1=O ZINC000629577113 483389275 /nfs/dbraw/zinc/38/92/75/483389275.db2.gz FALLAZQLGOUCGE-UHFFFAOYSA-N 2 2 355.439 -1.125 20 0 FAADLP CC[NH+]1CCN(C(=O)C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC000629784512 483391421 /nfs/dbraw/zinc/39/14/21/483391421.db2.gz OEJJPAFTIHGXDC-UHFFFAOYSA-N 2 2 366.466 -1.680 20 0 FAADLP CCN(CC[NH3+])C(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000629787725 483391102 /nfs/dbraw/zinc/39/11/02/483391102.db2.gz HFNWNSBEOBHYIU-UHFFFAOYSA-N 2 2 360.422 -1.181 20 0 FAADLP CN(CCOCC[NH3+])C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000629791885 483391941 /nfs/dbraw/zinc/39/19/41/483391941.db2.gz RWRQELIAQCXLFX-UHFFFAOYSA-N 3 2 357.499 -1.096 20 0 FAADLP CN(CCOCC[NH3+])C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000629791885 483391938 /nfs/dbraw/zinc/39/19/38/483391938.db2.gz RWRQELIAQCXLFX-UHFFFAOYSA-N 3 2 357.499 -1.096 20 0 FAADLP CN(CCOCC[NH3+])C(=O)C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000629795237 483391895 /nfs/dbraw/zinc/39/18/95/483391895.db2.gz IADILQOYZUIIAH-UHFFFAOYSA-N 2 2 352.439 -1.502 20 0 FAADLP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000629796415 483392517 /nfs/dbraw/zinc/39/25/17/483392517.db2.gz QLAIWNCDXQQKGK-UHFFFAOYSA-N 2 2 366.466 -1.241 20 0 FAADLP Cc1nc(N2CCN(C(=O)C(=O)N(C)CCOCC[NH3+])CC2)cc[nH+]1 ZINC000629800398 483392802 /nfs/dbraw/zinc/39/28/02/483392802.db2.gz RQRDDORDYLWCOQ-UHFFFAOYSA-N 2 2 350.423 -1.133 20 0 FAADLP C[NH+]1CCN(C(=O)C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC000629809544 483394068 /nfs/dbraw/zinc/39/40/68/483394068.db2.gz HDZNWRMBRWMBHI-UHFFFAOYSA-N 2 2 352.439 -2.070 20 0 FAADLP CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000629810034 483394216 /nfs/dbraw/zinc/39/42/16/483394216.db2.gz OGAOGQGMXDWZSA-UHFFFAOYSA-N 2 2 363.422 -1.463 20 0 FAADLP CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000629810034 483394214 /nfs/dbraw/zinc/39/42/14/483394214.db2.gz OGAOGQGMXDWZSA-UHFFFAOYSA-N 2 2 363.422 -1.463 20 0 FAADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000629810752 483394362 /nfs/dbraw/zinc/39/43/62/483394362.db2.gz ACTGURUPNNVWLJ-CABCVRRESA-N 2 2 356.467 -1.406 20 0 FAADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000629810753 483394239 /nfs/dbraw/zinc/39/42/39/483394239.db2.gz ACTGURUPNNVWLJ-GJZGRUSLSA-N 2 2 356.467 -1.406 20 0 FAADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000629810754 483393929 /nfs/dbraw/zinc/39/39/29/483393929.db2.gz ACTGURUPNNVWLJ-HUUCEWRRSA-N 2 2 356.467 -1.406 20 0 FAADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000629810755 483394438 /nfs/dbraw/zinc/39/44/38/483394438.db2.gz ACTGURUPNNVWLJ-LSDHHAIUSA-N 2 2 356.467 -1.406 20 0 FAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629823243 483394775 /nfs/dbraw/zinc/39/47/75/483394775.db2.gz XQUIAFZTWABYED-JCGIZDLHSA-N 2 2 368.478 -1.404 20 0 FAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629823244 483394936 /nfs/dbraw/zinc/39/49/36/483394936.db2.gz XQUIAFZTWABYED-OLMNPRSZSA-N 2 2 368.478 -1.404 20 0 FAADLP O=C(NCC[N@@H+]1CC[C@H](O)C1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000629913479 483396915 /nfs/dbraw/zinc/39/69/15/483396915.db2.gz YUMFNBKFLOHDLM-CABCVRRESA-N 2 2 354.451 -1.650 20 0 FAADLP O=C(NCC[N@H+]1CC[C@H](O)C1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000629913479 483396913 /nfs/dbraw/zinc/39/69/13/483396913.db2.gz YUMFNBKFLOHDLM-CABCVRRESA-N 2 2 354.451 -1.650 20 0 FAADLP O=C(NCC[N@@H+]1CC[C@H](O)C1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000629913482 483397620 /nfs/dbraw/zinc/39/76/20/483397620.db2.gz YUMFNBKFLOHDLM-GJZGRUSLSA-N 2 2 354.451 -1.650 20 0 FAADLP O=C(NCC[N@H+]1CC[C@H](O)C1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000629913482 483397616 /nfs/dbraw/zinc/39/76/16/483397616.db2.gz YUMFNBKFLOHDLM-GJZGRUSLSA-N 2 2 354.451 -1.650 20 0 FAADLP CCN1C(=O)CO[C@H](C(=O)NCC[N@H+]2CC[C@H](O)C2)[C@H]1c1[nH+]ccn1C ZINC000629918122 483396971 /nfs/dbraw/zinc/39/69/71/483396971.db2.gz DCAPBURPFNVXIA-QEJZJMRPSA-N 2 2 365.434 -1.109 20 0 FAADLP CCN1C(=O)CO[C@H](C(=O)NCC[N@@H+]2CC[C@H](O)C2)[C@H]1c1[nH+]ccn1C ZINC000629918122 483396969 /nfs/dbraw/zinc/39/69/69/483396969.db2.gz DCAPBURPFNVXIA-QEJZJMRPSA-N 2 2 365.434 -1.109 20 0 FAADLP Cc1nc(N2CCN(C(=O)C(=O)NCCN3CC[NH2+]CC3)CC2)cc[nH+]1 ZINC000630343878 483571944 /nfs/dbraw/zinc/57/19/44/483571944.db2.gz VDXWAHKBURGQKE-UHFFFAOYSA-N 2 2 361.450 -1.545 20 0 FAADLP O=C([C@H]1CC[C@@H]1C(=O)N1CC[NH+](CCO)CC1)N1CC[NH+](CCO)CC1 ZINC000630711005 483591196 /nfs/dbraw/zinc/59/11/96/483591196.db2.gz WLGYXTDNBMQKJZ-HOTGVXAUSA-N 2 2 368.478 -1.714 20 0 FAADLP O=C([C@@H]1CC[C@H]1C(=O)N1CC[NH+](CCO)CC1)N1CC[NH+](CCO)CC1 ZINC000630711012 483591316 /nfs/dbraw/zinc/59/13/16/483591316.db2.gz WLGYXTDNBMQKJZ-HZPDHXFCSA-N 2 2 368.478 -1.714 20 0 FAADLP O=C([C@@H]1CC[C@@H]1C(=O)N1CC[NH+](CCO)CC1)N1CC[NH+](CCO)CC1 ZINC000630711014 483590696 /nfs/dbraw/zinc/59/06/96/483590696.db2.gz WLGYXTDNBMQKJZ-IYBDPMFKSA-N 2 2 368.478 -1.714 20 0 FAADLP O=C(NCC[NH+]1CCOCC1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000631000847 483703937 /nfs/dbraw/zinc/70/39/37/483703937.db2.gz XSZRDKQEQVTSIN-UHFFFAOYSA-N 2 2 354.455 -1.329 20 0 FAADLP C[NH+](C)CCn1cc(C(=O)NCC(=O)NCC[NH+]2CCOCC2)cn1 ZINC000631231900 483724119 /nfs/dbraw/zinc/72/41/19/483724119.db2.gz WWGXSTCLWRUGJS-UHFFFAOYSA-N 2 2 352.439 -1.377 20 0 FAADLP C[C@@H]1C[N@@H+](CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C[C@H]1C[NH3+] ZINC000631841106 483725476 /nfs/dbraw/zinc/72/54/76/483725476.db2.gz YAGWTXXDQOLCIS-KFWWJZLASA-N 2 2 358.508 -1.156 20 0 FAADLP C[C@@H]1C[N@H+](CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C[C@H]1C[NH3+] ZINC000631841106 483725474 /nfs/dbraw/zinc/72/54/74/483725474.db2.gz YAGWTXXDQOLCIS-KFWWJZLASA-N 2 2 358.508 -1.156 20 0 FAADLP C[C@@H]1C[N@@H+](CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C[C@H]1C[NH3+] ZINC000631841108 483725219 /nfs/dbraw/zinc/72/52/19/483725219.db2.gz YAGWTXXDQOLCIS-RBSFLKMASA-N 2 2 358.508 -1.156 20 0 FAADLP C[C@@H]1C[N@H+](CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C[C@H]1C[NH3+] ZINC000631841108 483725217 /nfs/dbraw/zinc/72/52/17/483725217.db2.gz YAGWTXXDQOLCIS-RBSFLKMASA-N 2 2 358.508 -1.156 20 0 FAADLP Cn1cnc2c1c(=O)n(CCC[NH+]1CCC([NH2+]CCO)CC1)c(=O)n2C ZINC000631864811 483725044 /nfs/dbraw/zinc/72/50/44/483725044.db2.gz XKFQNEOTSVMEAG-UHFFFAOYSA-N 2 2 364.450 -1.130 20 0 FAADLP C[N@H+]1CCO[C@H](CS(=O)(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000631898602 483725451 /nfs/dbraw/zinc/72/54/51/483725451.db2.gz PQIAORXZICLEAY-HNNXBMFYSA-N 2 2 374.507 -1.113 20 0 FAADLP C[N@@H+]1CCO[C@H](CS(=O)(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000631898602 483725449 /nfs/dbraw/zinc/72/54/49/483725449.db2.gz PQIAORXZICLEAY-HNNXBMFYSA-N 2 2 374.507 -1.113 20 0 FAADLP C[N@H+]1CCO[C@@H](CS(=O)(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000631898603 483725374 /nfs/dbraw/zinc/72/53/74/483725374.db2.gz PQIAORXZICLEAY-OAHLLOKOSA-N 2 2 374.507 -1.113 20 0 FAADLP C[N@@H+]1CCO[C@@H](CS(=O)(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000631898603 483725372 /nfs/dbraw/zinc/72/53/72/483725372.db2.gz PQIAORXZICLEAY-OAHLLOKOSA-N 2 2 374.507 -1.113 20 0 FAADLP O=C(C[N@H+]1CCCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC1)N1CCCC1 ZINC000631911763 483725984 /nfs/dbraw/zinc/72/59/84/483725984.db2.gz QLAUBTXOPBMEBJ-HNNXBMFYSA-N 2 2 374.507 -1.065 20 0 FAADLP O=C(C[N@@H+]1CCCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC1)N1CCCC1 ZINC000631911763 483725981 /nfs/dbraw/zinc/72/59/81/483725981.db2.gz QLAUBTXOPBMEBJ-HNNXBMFYSA-N 2 2 374.507 -1.065 20 0 FAADLP O=C(C[N@H+]1CCCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CC1)N1CCCC1 ZINC000631911764 483726019 /nfs/dbraw/zinc/72/60/19/483726019.db2.gz QLAUBTXOPBMEBJ-OAHLLOKOSA-N 2 2 374.507 -1.065 20 0 FAADLP O=C(C[N@@H+]1CCCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CC1)N1CCCC1 ZINC000631911764 483726016 /nfs/dbraw/zinc/72/60/16/483726016.db2.gz QLAUBTXOPBMEBJ-OAHLLOKOSA-N 2 2 374.507 -1.065 20 0 FAADLP CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000631912705 483726062 /nfs/dbraw/zinc/72/60/62/483726062.db2.gz UDSNYQSXQGBLHW-AWEZNQCLSA-N 2 2 362.496 -1.115 20 0 FAADLP CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000631912706 483725958 /nfs/dbraw/zinc/72/59/58/483725958.db2.gz UDSNYQSXQGBLHW-CQSZACIVSA-N 2 2 362.496 -1.115 20 0 FAADLP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000631982295 483726455 /nfs/dbraw/zinc/72/64/55/483726455.db2.gz UAHBEFXUGXBFPY-HNNXBMFYSA-N 2 2 355.464 -1.045 20 0 FAADLP O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000631982296 483726499 /nfs/dbraw/zinc/72/64/99/483726499.db2.gz UAHBEFXUGXBFPY-OAHLLOKOSA-N 2 2 355.464 -1.045 20 0 FAADLP C[NH+](C)CCN(CCOCCO)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632008588 483726613 /nfs/dbraw/zinc/72/66/13/483726613.db2.gz WUBDJXVRGMJFNE-AWEZNQCLSA-N 2 2 353.485 -1.481 20 0 FAADLP C[NH+](C)CCN(CCOCCO)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632008588 483726610 /nfs/dbraw/zinc/72/66/10/483726610.db2.gz WUBDJXVRGMJFNE-AWEZNQCLSA-N 2 2 353.485 -1.481 20 0 FAADLP C[NH+](C)CCN(CCOCCO)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632008589 483726717 /nfs/dbraw/zinc/72/67/17/483726717.db2.gz WUBDJXVRGMJFNE-CQSZACIVSA-N 2 2 353.485 -1.481 20 0 FAADLP C[NH+](C)CCN(CCOCCO)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632008589 483726715 /nfs/dbraw/zinc/72/67/15/483726715.db2.gz WUBDJXVRGMJFNE-CQSZACIVSA-N 2 2 353.485 -1.481 20 0 FAADLP C[NH+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000632112973 483726522 /nfs/dbraw/zinc/72/65/22/483726522.db2.gz OAJYNTSCEQQABA-CABCVRRESA-N 2 2 374.507 -1.115 20 0 FAADLP C[NH+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)C[C@H]2C[N@H+](C)CCO2)CC1 ZINC000632112973 483726519 /nfs/dbraw/zinc/72/65/19/483726519.db2.gz OAJYNTSCEQQABA-CABCVRRESA-N 2 2 374.507 -1.115 20 0 FAADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)C[C@H]2C[NH+](C)CCO2)CC1 ZINC000632112973 483726517 /nfs/dbraw/zinc/72/65/17/483726517.db2.gz OAJYNTSCEQQABA-CABCVRRESA-N 2 2 374.507 -1.115 20 0 FAADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)C[C@H]2C[NH+](C)CCO2)CC1 ZINC000632112973 483726515 /nfs/dbraw/zinc/72/65/15/483726515.db2.gz OAJYNTSCEQQABA-CABCVRRESA-N 2 2 374.507 -1.115 20 0 FAADLP C[NH+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000632112974 483726798 /nfs/dbraw/zinc/72/67/98/483726798.db2.gz OAJYNTSCEQQABA-GJZGRUSLSA-N 2 2 374.507 -1.115 20 0 FAADLP C[NH+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000632112974 483726796 /nfs/dbraw/zinc/72/67/96/483726796.db2.gz OAJYNTSCEQQABA-GJZGRUSLSA-N 2 2 374.507 -1.115 20 0 FAADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)C[C@@H]2C[NH+](C)CCO2)CC1 ZINC000632112974 483726794 /nfs/dbraw/zinc/72/67/94/483726794.db2.gz OAJYNTSCEQQABA-GJZGRUSLSA-N 2 2 374.507 -1.115 20 0 FAADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)C[C@@H]2C[NH+](C)CCO2)CC1 ZINC000632112974 483726792 /nfs/dbraw/zinc/72/67/92/483726792.db2.gz OAJYNTSCEQQABA-GJZGRUSLSA-N 2 2 374.507 -1.115 20 0 FAADLP C[NH+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000632112975 483726386 /nfs/dbraw/zinc/72/63/86/483726386.db2.gz OAJYNTSCEQQABA-HUUCEWRRSA-N 2 2 374.507 -1.115 20 0 FAADLP C[NH+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)C[C@H]2C[N@H+](C)CCO2)CC1 ZINC000632112975 483726384 /nfs/dbraw/zinc/72/63/84/483726384.db2.gz OAJYNTSCEQQABA-HUUCEWRRSA-N 2 2 374.507 -1.115 20 0 FAADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)C[C@H]2C[NH+](C)CCO2)CC1 ZINC000632112975 483726381 /nfs/dbraw/zinc/72/63/81/483726381.db2.gz OAJYNTSCEQQABA-HUUCEWRRSA-N 2 2 374.507 -1.115 20 0 FAADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)C[C@H]2C[NH+](C)CCO2)CC1 ZINC000632112975 483726378 /nfs/dbraw/zinc/72/63/78/483726378.db2.gz OAJYNTSCEQQABA-HUUCEWRRSA-N 2 2 374.507 -1.115 20 0 FAADLP C[NH+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000632112976 483726783 /nfs/dbraw/zinc/72/67/83/483726783.db2.gz OAJYNTSCEQQABA-LSDHHAIUSA-N 2 2 374.507 -1.115 20 0 FAADLP C[NH+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000632112976 483726781 /nfs/dbraw/zinc/72/67/81/483726781.db2.gz OAJYNTSCEQQABA-LSDHHAIUSA-N 2 2 374.507 -1.115 20 0 FAADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)C[C@@H]2C[NH+](C)CCO2)CC1 ZINC000632112976 483726778 /nfs/dbraw/zinc/72/67/78/483726778.db2.gz OAJYNTSCEQQABA-LSDHHAIUSA-N 2 2 374.507 -1.115 20 0 FAADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)C[C@@H]2C[NH+](C)CCO2)CC1 ZINC000632112976 483726777 /nfs/dbraw/zinc/72/67/77/483726777.db2.gz OAJYNTSCEQQABA-LSDHHAIUSA-N 2 2 374.507 -1.115 20 0 FAADLP C[N@H+]1CCO[C@H](CS(=O)(=O)N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)C1 ZINC000632424610 483728984 /nfs/dbraw/zinc/72/89/84/483728984.db2.gz RUGKUYTWZQIBSC-CABCVRRESA-N 2 2 374.507 -1.067 20 0 FAADLP C[N@@H+]1CCO[C@H](CS(=O)(=O)N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)C1 ZINC000632424610 483728983 /nfs/dbraw/zinc/72/89/83/483728983.db2.gz RUGKUYTWZQIBSC-CABCVRRESA-N 2 2 374.507 -1.067 20 0 FAADLP C[N@H+]1CCO[C@H](CS(=O)(=O)N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)C1 ZINC000632424611 483728478 /nfs/dbraw/zinc/72/84/78/483728478.db2.gz RUGKUYTWZQIBSC-GJZGRUSLSA-N 2 2 374.507 -1.067 20 0 FAADLP C[N@@H+]1CCO[C@H](CS(=O)(=O)N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)C1 ZINC000632424611 483728476 /nfs/dbraw/zinc/72/84/76/483728476.db2.gz RUGKUYTWZQIBSC-GJZGRUSLSA-N 2 2 374.507 -1.067 20 0 FAADLP C[N@H+]1CCO[C@@H](CS(=O)(=O)N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)C1 ZINC000632424612 483728798 /nfs/dbraw/zinc/72/87/98/483728798.db2.gz RUGKUYTWZQIBSC-HUUCEWRRSA-N 2 2 374.507 -1.067 20 0 FAADLP C[N@@H+]1CCO[C@@H](CS(=O)(=O)N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)C1 ZINC000632424612 483728796 /nfs/dbraw/zinc/72/87/96/483728796.db2.gz RUGKUYTWZQIBSC-HUUCEWRRSA-N 2 2 374.507 -1.067 20 0 FAADLP C[N@H+]1CCO[C@@H](CS(=O)(=O)N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)C1 ZINC000632424613 483729120 /nfs/dbraw/zinc/72/91/20/483729120.db2.gz RUGKUYTWZQIBSC-LSDHHAIUSA-N 2 2 374.507 -1.067 20 0 FAADLP C[N@@H+]1CCO[C@@H](CS(=O)(=O)N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)C1 ZINC000632424613 483729117 /nfs/dbraw/zinc/72/91/17/483729117.db2.gz RUGKUYTWZQIBSC-LSDHHAIUSA-N 2 2 374.507 -1.067 20 0 FAADLP CN1CC[C@H]([NH+]2CCC(NS(=O)(=O)C[C@H]3C[N@@H+](C)CCO3)CC2)C1=O ZINC000632491369 483728601 /nfs/dbraw/zinc/72/86/01/483728601.db2.gz GLDUKOAPGPANPC-CABCVRRESA-N 2 2 374.507 -1.069 20 0 FAADLP CN1CC[C@H]([NH+]2CCC(NS(=O)(=O)C[C@H]3C[N@H+](C)CCO3)CC2)C1=O ZINC000632491369 483728599 /nfs/dbraw/zinc/72/85/99/483728599.db2.gz GLDUKOAPGPANPC-CABCVRRESA-N 2 2 374.507 -1.069 20 0 FAADLP CN1CC[C@H]([NH+]2CCC(NS(=O)(=O)C[C@@H]3C[N@@H+](C)CCO3)CC2)C1=O ZINC000632491370 483728558 /nfs/dbraw/zinc/72/85/58/483728558.db2.gz GLDUKOAPGPANPC-GJZGRUSLSA-N 2 2 374.507 -1.069 20 0 FAADLP 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0 FAADLP C[NH+]1CCO[C@@H](C(=O)NCC2(NC(=O)[C@@H]3C[N@@H+](C)CCO3)COC2)C1 ZINC000633916556 483731441 /nfs/dbraw/zinc/73/14/41/483731441.db2.gz RJZBEFINFKVHBE-OLZOCXBDSA-N 2 2 356.423 -2.351 20 0 FAADLP C[NH+]1CCO[C@@H](C(=O)NCC2(NC(=O)[C@@H]3C[N@H+](C)CCO3)COC2)C1 ZINC000633916556 483731439 /nfs/dbraw/zinc/73/14/39/483731439.db2.gz RJZBEFINFKVHBE-OLZOCXBDSA-N 2 2 356.423 -2.351 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)NC2(CNC(=O)[C@H]3C[N@@H+](C)CCO3)COC2)C1 ZINC000633916556 483731437 /nfs/dbraw/zinc/73/14/37/483731437.db2.gz RJZBEFINFKVHBE-OLZOCXBDSA-N 2 2 356.423 -2.351 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)NC2(CNC(=O)[C@H]3C[N@H+](C)CCO3)COC2)C1 ZINC000633916556 483731435 /nfs/dbraw/zinc/73/14/35/483731435.db2.gz RJZBEFINFKVHBE-OLZOCXBDSA-N 2 2 356.423 -2.351 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)NCC2(NC(=O)[C@H]3C[N@@H+](C)CCO3)COC2)C1 ZINC000633916557 483731376 /nfs/dbraw/zinc/73/13/76/483731376.db2.gz RJZBEFINFKVHBE-QWHCGFSZSA-N 2 2 356.423 -2.351 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)NCC2(NC(=O)[C@H]3C[N@H+](C)CCO3)COC2)C1 ZINC000633916557 483731373 /nfs/dbraw/zinc/73/13/73/483731373.db2.gz RJZBEFINFKVHBE-QWHCGFSZSA-N 2 2 356.423 -2.351 20 0 FAADLP C[NH+]1CCO[C@@H](C(=O)NC2(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)COC2)C1 ZINC000633916557 483731370 /nfs/dbraw/zinc/73/13/70/483731370.db2.gz RJZBEFINFKVHBE-QWHCGFSZSA-N 2 2 356.423 -2.351 20 0 FAADLP C[NH+]1CCO[C@@H](C(=O)NC2(CNC(=O)[C@@H]3C[N@H+](C)CCO3)COC2)C1 ZINC000633916557 483731368 /nfs/dbraw/zinc/73/13/68/483731368.db2.gz RJZBEFINFKVHBE-QWHCGFSZSA-N 2 2 356.423 -2.351 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)NCC2(NC(=O)[C@@H]3C[N@@H+](C)CCO3)COC2)C1 ZINC000633916558 483731460 /nfs/dbraw/zinc/73/14/60/483731460.db2.gz RJZBEFINFKVHBE-STQMWFEESA-N 2 2 356.423 -2.351 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)NCC2(NC(=O)[C@@H]3C[N@H+](C)CCO3)COC2)C1 ZINC000633916558 483731459 /nfs/dbraw/zinc/73/14/59/483731459.db2.gz RJZBEFINFKVHBE-STQMWFEESA-N 2 2 356.423 -2.351 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)NC2(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)COC2)C1 ZINC000633916558 483731458 /nfs/dbraw/zinc/73/14/58/483731458.db2.gz RJZBEFINFKVHBE-STQMWFEESA-N 2 2 356.423 -2.351 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)NC2(CNC(=O)[C@@H]3C[N@H+](C)CCO3)COC2)C1 ZINC000633916558 483731457 /nfs/dbraw/zinc/73/14/57/483731457.db2.gz RJZBEFINFKVHBE-STQMWFEESA-N 2 2 356.423 -2.351 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000634251514 483732336 /nfs/dbraw/zinc/73/23/36/483732336.db2.gz LXFYUSYVKZZAJF-AJNGGQMLSA-N 2 2 352.435 -1.541 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000634251514 483732335 /nfs/dbraw/zinc/73/23/35/483732335.db2.gz LXFYUSYVKZZAJF-AJNGGQMLSA-N 2 2 352.435 -1.541 20 0 FAADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000634251515 483731928 /nfs/dbraw/zinc/73/19/28/483731928.db2.gz LXFYUSYVKZZAJF-BYNSBNAKSA-N 2 2 352.435 -1.541 20 0 FAADLP 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483084052 /nfs/dbraw/zinc/08/40/52/483084052.db2.gz YPHMOBSJVLOWAM-HNNXBMFYSA-N 2 2 356.467 -1.139 20 0 FAADLP C[NH2+]CCOCCN(C)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000638590991 483084238 /nfs/dbraw/zinc/08/42/38/483084238.db2.gz YPHMOBSJVLOWAM-OAHLLOKOSA-N 2 2 356.467 -1.139 20 0 FAADLP CCN1C(=O)CO[C@H](C(=O)NC[C@H]2COCC[NH2+]2)[C@H]1c1[nH+]ccn1C ZINC000638610070 483084597 /nfs/dbraw/zinc/08/45/97/483084597.db2.gz AJLVEUIWLPCYFK-UBHSHLNASA-N 2 2 351.407 -1.187 20 0 FAADLP CCN1C(=O)CO[C@H](C(=O)NC[C@@H]2COCC[NH2+]2)[C@H]1c1[nH+]ccn1C ZINC000638610072 483084998 /nfs/dbraw/zinc/08/49/98/483084998.db2.gz AJLVEUIWLPCYFK-XBFCOCLRSA-N 2 2 351.407 -1.187 20 0 FAADLP [NH3+]CC1(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCOCC1 ZINC000638634052 483086525 /nfs/dbraw/zinc/08/65/25/483086525.db2.gz LYDPTQMQIBEPPB-AWEZNQCLSA-N 2 2 354.451 -1.209 20 0 FAADLP [NH3+]CC1(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCOCC1 ZINC000638634055 483086732 /nfs/dbraw/zinc/08/67/32/483086732.db2.gz 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C[NH+]1CCN(S(=O)(=O)N2CC[NH+](C[C@H]3CCc4ncnn43)CC2)CC1 ZINC000639450569 483182758 /nfs/dbraw/zinc/18/27/58/483182758.db2.gz SBUKEJLGHLMWID-CQSZACIVSA-N 2 2 369.495 -1.125 20 0 FAADLP Cn1c2ncn(CC[N@H+]3CCC[C@](O)(C[NH+](C)C)C3)c2c(=O)n(C)c1=O ZINC000639763717 483198068 /nfs/dbraw/zinc/19/80/68/483198068.db2.gz XVGPVSJGECOWAJ-KRWDZBQOSA-N 2 2 364.450 -1.178 20 0 FAADLP Cn1c2ncn(CC[N@@H+]3CCC[C@](O)(C[NH+](C)C)C3)c2c(=O)n(C)c1=O ZINC000639763717 483198065 /nfs/dbraw/zinc/19/80/65/483198065.db2.gz XVGPVSJGECOWAJ-KRWDZBQOSA-N 2 2 364.450 -1.178 20 0 FAADLP Cn1c2ncn(CC[N@H+]3CCC[C@@](O)(C[NH+](C)C)C3)c2c(=O)n(C)c1=O ZINC000639763724 483197065 /nfs/dbraw/zinc/19/70/65/483197065.db2.gz XVGPVSJGECOWAJ-QGZVFWFLSA-N 2 2 364.450 -1.178 20 0 FAADLP Cn1c2ncn(CC[N@@H+]3CCC[C@@](O)(C[NH+](C)C)C3)c2c(=O)n(C)c1=O ZINC000639763724 483197056 /nfs/dbraw/zinc/19/70/56/483197056.db2.gz XVGPVSJGECOWAJ-QGZVFWFLSA-N 2 2 364.450 -1.178 20 0 FAADLP O=C(C[NH+]1C[C@@H]2C[C@]2(O)C1)N1CCN(C(=O)C[N@H+]2C[C@H]3C[C@@]3(O)C2)CC1 ZINC000640474756 483383376 /nfs/dbraw/zinc/38/33/76/483383376.db2.gz BCJJXZMQZWCALO-MHGIMSBQSA-N 2 2 364.446 -2.210 20 0 FAADLP O=C(C[NH+]1C[C@@H]2C[C@]2(O)C1)N1CCN(C(=O)C[N@@H+]2C[C@H]3C[C@@]3(O)C2)CC1 ZINC000640474756 483383372 /nfs/dbraw/zinc/38/33/72/483383372.db2.gz BCJJXZMQZWCALO-MHGIMSBQSA-N 2 2 364.446 -2.210 20 0 FAADLP O=C(C[NH+]1C[C@H]2C[C@@]2(O)C1)N1CCN(C(=O)C[N@@H+]2C[C@@H]3C[C@]3(O)C2)CC1 ZINC000640474756 483383370 /nfs/dbraw/zinc/38/33/70/483383370.db2.gz BCJJXZMQZWCALO-MHGIMSBQSA-N 2 2 364.446 -2.210 20 0 FAADLP O=C(C[NH+]1C[C@H]2C[C@@]2(O)C1)N1CCN(C(=O)C[N@H+]2C[C@@H]3C[C@]3(O)C2)CC1 ZINC000640474756 483383366 /nfs/dbraw/zinc/38/33/66/483383366.db2.gz BCJJXZMQZWCALO-MHGIMSBQSA-N 2 2 364.446 -2.210 20 0 FAADLP CC(C)(CNC(=O)Cn1cc(CN2CC[NH2+]CC2)nn1)[NH+]1CCOCC1 ZINC000640867392 483414952 /nfs/dbraw/zinc/41/49/52/483414952.db2.gz TUZMARPLLRXQMB-UHFFFAOYSA-N 2 2 365.482 -1.090 20 0 FAADLP 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C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CCO1 ZINC000643476649 483284930 /nfs/dbraw/zinc/28/49/30/483284930.db2.gz FPGCHEUNZDBHRW-RRFJBIMHSA-N 2 2 354.451 -1.116 20 0 FAADLP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CCO1 ZINC000643476650 483285326 /nfs/dbraw/zinc/28/53/26/483285326.db2.gz FPGCHEUNZDBHRW-SOUVJXGZSA-N 2 2 354.451 -1.116 20 0 FAADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CCO1 ZINC000643476651 483285182 /nfs/dbraw/zinc/28/51/82/483285182.db2.gz FPGCHEUNZDBHRW-ZNMIVQPWSA-N 2 2 354.451 -1.116 20 0 FAADLP CN1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)[C@H](C[NH3+])C1 ZINC000643577810 482534944 /nfs/dbraw/zinc/53/49/44/482534944.db2.gz VIMHUSBFFVGQLC-CABCVRRESA-N 2 2 353.467 -1.589 20 0 FAADLP CN1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)[C@@H](C[NH3+])C1 ZINC000643577811 482535132 /nfs/dbraw/zinc/53/51/32/482535132.db2.gz VIMHUSBFFVGQLC-GJZGRUSLSA-N 2 2 353.467 -1.589 20 0 FAADLP 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/nfs/dbraw/zinc/55/98/72/482559872.db2.gz DMMOTZOYVKNFLZ-STQMWFEESA-N 2 2 351.451 -1.082 20 0 FAADLP C[C@H]1C(=O)N(C)CN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000647034840 482559868 /nfs/dbraw/zinc/55/98/68/482559868.db2.gz DMMOTZOYVKNFLZ-STQMWFEESA-N 2 2 351.451 -1.082 20 0 FAADLP CC(=O)NCCN(C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000647034883 482558927 /nfs/dbraw/zinc/55/89/27/482558927.db2.gz GTAGDBDFSVNSMI-AWEZNQCLSA-N 2 2 353.467 -1.134 20 0 FAADLP CC(=O)NCCN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000647034883 482558924 /nfs/dbraw/zinc/55/89/24/482558924.db2.gz GTAGDBDFSVNSMI-AWEZNQCLSA-N 2 2 353.467 -1.134 20 0 FAADLP CC(=O)NCCN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000647034884 482559426 /nfs/dbraw/zinc/55/94/26/482559426.db2.gz GTAGDBDFSVNSMI-CQSZACIVSA-N 2 2 353.467 -1.134 20 0 FAADLP CC(=O)NCCN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000647034884 482559422 /nfs/dbraw/zinc/55/94/22/482559422.db2.gz GTAGDBDFSVNSMI-CQSZACIVSA-N 2 2 353.467 -1.134 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)N[C@]2(C)CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000647729551 482881112 /nfs/dbraw/zinc/88/11/12/482881112.db2.gz ZSYFFTYQXVMXIK-GRDNDAEWSA-N 2 2 354.451 -1.245 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)N[C@]2(C)CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000647729551 482881106 /nfs/dbraw/zinc/88/11/06/482881106.db2.gz ZSYFFTYQXVMXIK-GRDNDAEWSA-N 2 2 354.451 -1.245 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@@](C)(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000647729551 482881100 /nfs/dbraw/zinc/88/11/00/482881100.db2.gz ZSYFFTYQXVMXIK-GRDNDAEWSA-N 2 2 354.451 -1.245 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@@](C)(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000647729551 482881092 /nfs/dbraw/zinc/88/10/92/482881092.db2.gz ZSYFFTYQXVMXIK-GRDNDAEWSA-N 2 2 354.451 -1.245 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)N[C@]2(C)CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000647729552 482882056 /nfs/dbraw/zinc/88/20/56/482882056.db2.gz ZSYFFTYQXVMXIK-JJRVBVJISA-N 2 2 354.451 -1.245 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)N[C@]2(C)CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000647729552 482882052 /nfs/dbraw/zinc/88/20/52/482882052.db2.gz ZSYFFTYQXVMXIK-JJRVBVJISA-N 2 2 354.451 -1.245 20 0 FAADLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@@](C)(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000647729552 482882046 /nfs/dbraw/zinc/88/20/46/482882046.db2.gz ZSYFFTYQXVMXIK-JJRVBVJISA-N 2 2 354.451 -1.245 20 0 FAADLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@@](C)(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000647729552 482882042 /nfs/dbraw/zinc/88/20/42/482882042.db2.gz ZSYFFTYQXVMXIK-JJRVBVJISA-N 2 2 354.451 -1.245 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)N[C@@]2(C)CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000647729553 482880722 /nfs/dbraw/zinc/88/07/22/482880722.db2.gz ZSYFFTYQXVMXIK-VBQJREDUSA-N 2 2 354.451 -1.245 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)N[C@@]2(C)CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000647729553 482880714 /nfs/dbraw/zinc/88/07/14/482880714.db2.gz ZSYFFTYQXVMXIK-VBQJREDUSA-N 2 2 354.451 -1.245 20 0 FAADLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@](C)(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000647729553 482880703 /nfs/dbraw/zinc/88/07/03/482880703.db2.gz ZSYFFTYQXVMXIK-VBQJREDUSA-N 2 2 354.451 -1.245 20 0 FAADLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@](C)(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000647729553 482880693 /nfs/dbraw/zinc/88/06/93/482880693.db2.gz ZSYFFTYQXVMXIK-VBQJREDUSA-N 2 2 354.451 -1.245 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)N[C@@]2(C)CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000647729554 482880833 /nfs/dbraw/zinc/88/08/33/482880833.db2.gz ZSYFFTYQXVMXIK-ZQIUZPCESA-N 2 2 354.451 -1.245 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)N[C@@]2(C)CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000647729554 482880823 /nfs/dbraw/zinc/88/08/23/482880823.db2.gz ZSYFFTYQXVMXIK-ZQIUZPCESA-N 2 2 354.451 -1.245 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@](C)(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000647729554 482880812 /nfs/dbraw/zinc/88/08/12/482880812.db2.gz ZSYFFTYQXVMXIK-ZQIUZPCESA-N 2 2 354.451 -1.245 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@](C)(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000647729554 482880803 /nfs/dbraw/zinc/88/08/03/482880803.db2.gz ZSYFFTYQXVMXIK-ZQIUZPCESA-N 2 2 354.451 -1.245 20 0 FAADLP CN(C[C@H](O)CNC(=O)[C@@H]1C[NH+](C)CCO1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000647810387 482967982 /nfs/dbraw/zinc/96/79/82/482967982.db2.gz NTYJYIJBHIIAQB-HZSPNIEDSA-N 2 2 358.439 -2.417 20 0 FAADLP CN(C[C@H](O)CNC(=O)[C@@H]1C[NH+](C)CCO1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000647810387 482967976 /nfs/dbraw/zinc/96/79/76/482967976.db2.gz NTYJYIJBHIIAQB-HZSPNIEDSA-N 2 2 358.439 -2.417 20 0 FAADLP CN(C[C@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)[C@H]1C[NH+](C)CCO1 ZINC000647810387 482967971 /nfs/dbraw/zinc/96/79/71/482967971.db2.gz NTYJYIJBHIIAQB-HZSPNIEDSA-N 2 2 358.439 -2.417 20 0 FAADLP CN(C[C@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)[C@H]1C[NH+](C)CCO1 ZINC000647810387 482967963 /nfs/dbraw/zinc/96/79/63/482967963.db2.gz NTYJYIJBHIIAQB-HZSPNIEDSA-N 2 2 358.439 -2.417 20 0 FAADLP CN(C[C@@H](O)CNC(=O)[C@@H]1C[NH+](C)CCO1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000647810388 482967318 /nfs/dbraw/zinc/96/73/18/482967318.db2.gz NTYJYIJBHIIAQB-IHRRRGAJSA-N 2 2 358.439 -2.417 20 0 FAADLP CN(C[C@@H](O)CNC(=O)[C@@H]1C[NH+](C)CCO1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000647810388 482967313 /nfs/dbraw/zinc/96/73/13/482967313.db2.gz NTYJYIJBHIIAQB-IHRRRGAJSA-N 2 2 358.439 -2.417 20 0 FAADLP CN(C[C@@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000647810388 482967307 /nfs/dbraw/zinc/96/73/07/482967307.db2.gz NTYJYIJBHIIAQB-IHRRRGAJSA-N 2 2 358.439 -2.417 20 0 FAADLP CN(C[C@@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000647810388 482967301 /nfs/dbraw/zinc/96/73/01/482967301.db2.gz NTYJYIJBHIIAQB-IHRRRGAJSA-N 2 2 358.439 -2.417 20 0 FAADLP CN(C[C@@H](O)CNC(=O)[C@@H]1C[NH+](C)CCO1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000647810389 482968098 /nfs/dbraw/zinc/96/80/98/482968098.db2.gz NTYJYIJBHIIAQB-MELADBBJSA-N 2 2 358.439 -2.417 20 0 FAADLP CN(C[C@@H](O)CNC(=O)[C@@H]1C[NH+](C)CCO1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000647810389 482968094 /nfs/dbraw/zinc/96/80/94/482968094.db2.gz NTYJYIJBHIIAQB-MELADBBJSA-N 2 2 358.439 -2.417 20 0 FAADLP CN(C[C@@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)[C@H]1C[NH+](C)CCO1 ZINC000647810389 482968086 /nfs/dbraw/zinc/96/80/86/482968086.db2.gz NTYJYIJBHIIAQB-MELADBBJSA-N 2 2 358.439 -2.417 20 0 FAADLP CN(C[C@@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)[C@H]1C[NH+](C)CCO1 ZINC000647810389 482968080 /nfs/dbraw/zinc/96/80/80/482968080.db2.gz NTYJYIJBHIIAQB-MELADBBJSA-N 2 2 358.439 -2.417 20 0 FAADLP CN(C[C@H](O)CNC(=O)[C@@H]1C[NH+](C)CCO1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000647810390 482967473 /nfs/dbraw/zinc/96/74/73/482967473.db2.gz NTYJYIJBHIIAQB-RDBSUJKOSA-N 2 2 358.439 -2.417 20 0 FAADLP CN(C[C@H](O)CNC(=O)[C@@H]1C[NH+](C)CCO1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000647810390 482967468 /nfs/dbraw/zinc/96/74/68/482967468.db2.gz NTYJYIJBHIIAQB-RDBSUJKOSA-N 2 2 358.439 -2.417 20 0 FAADLP CN(C[C@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000647810390 482967462 /nfs/dbraw/zinc/96/74/62/482967462.db2.gz NTYJYIJBHIIAQB-RDBSUJKOSA-N 2 2 358.439 -2.417 20 0 FAADLP CN(C[C@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000647810390 482967457 /nfs/dbraw/zinc/96/74/57/482967457.db2.gz NTYJYIJBHIIAQB-RDBSUJKOSA-N 2 2 358.439 -2.417 20 0 FAADLP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835648 482968748 /nfs/dbraw/zinc/96/87/48/482968748.db2.gz GYUVNKNSOJIHCJ-LLVKDONJSA-N 2 2 352.439 -1.926 20 0 FAADLP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835648 482968741 /nfs/dbraw/zinc/96/87/41/482968741.db2.gz GYUVNKNSOJIHCJ-LLVKDONJSA-N 2 2 352.439 -1.926 20 0 FAADLP C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835649 482967254 /nfs/dbraw/zinc/96/72/54/482967254.db2.gz GYUVNKNSOJIHCJ-NSHDSACASA-N 2 2 352.439 -1.926 20 0 FAADLP C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835649 482967247 /nfs/dbraw/zinc/96/72/47/482967247.db2.gz GYUVNKNSOJIHCJ-NSHDSACASA-N 2 2 352.439 -1.926 20 0 FAADLP Cn1c(N)c(C(=O)C[NH+]2CCC(OCCC[NH3+])CC2)c(=O)n(C)c1=O ZINC000647859787 482967894 /nfs/dbraw/zinc/96/78/94/482967894.db2.gz CWJYRKMMRWJCAO-UHFFFAOYSA-N 2 2 353.423 -1.321 20 0 FAADLP CN1CCN(S(=O)(=O)N2CC[NH+](CCN3CC[NH2+]CC3)CC2)CC1 ZINC000647879831 658902382 /nfs/dbraw/zinc/90/23/82/658902382.db2.gz GGOZFABIFBKBQY-UHFFFAOYSA-N 2 2 360.528 -1.999 20 0 FAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)CC2)CC1 ZINC000647989092 483123908 /nfs/dbraw/zinc/12/39/08/483123908.db2.gz HIOXYQPMAVPUKV-MCIONIFRSA-N 2 2 357.480 -1.627 20 0 FAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)CC2)CC1 ZINC000647989175 483126273 /nfs/dbraw/zinc/12/62/73/483126273.db2.gz SZHVKPIEGYQFTL-WDNDVIMCSA-N 2 2 357.480 -1.912 20 0 FAADLP 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ZINC000648178330 482691249 /nfs/dbraw/zinc/69/12/49/482691249.db2.gz QRNWHXJFGQNJSB-AWEZNQCLSA-N 2 2 359.452 -2.618 20 0 FAADLP CC(=O)N1CC[C@]([NH3+])(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000648178331 482691406 /nfs/dbraw/zinc/69/14/06/482691406.db2.gz QRNWHXJFGQNJSB-CQSZACIVSA-N 2 2 359.452 -2.618 20 0 FAADLP C[C@@H]1[C@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC[N@H+]1C ZINC000648730708 483531612 /nfs/dbraw/zinc/53/16/12/483531612.db2.gz NYKHARSVNGJEJT-HUUCEWRRSA-N 2 2 373.523 -1.037 20 0 FAADLP C[C@@H]1[C@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC[N@@H+]1C ZINC000648730708 483531604 /nfs/dbraw/zinc/53/16/04/483531604.db2.gz NYKHARSVNGJEJT-HUUCEWRRSA-N 2 2 373.523 -1.037 20 0 FAADLP CN(CCN1CC[NH2+]CC1)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000649271541 483586801 /nfs/dbraw/zinc/58/68/01/483586801.db2.gz LPMLYEUDXHGEKY-INIZCTEOSA-N 2 2 367.494 -1.469 20 0 FAADLP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000649271542 483587200 /nfs/dbraw/zinc/58/72/00/483587200.db2.gz LPMLYEUDXHGEKY-MRXNPFEDSA-N 2 2 367.494 -1.469 20 0 FAADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCO1 ZINC000649274892 483586717 /nfs/dbraw/zinc/58/67/17/483586717.db2.gz ZSWVPWZUMBGABE-KKUMJFAQSA-N 2 2 354.451 -1.258 20 0 FAADLP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCO1 ZINC000649274893 483587123 /nfs/dbraw/zinc/58/71/23/483587123.db2.gz ZSWVPWZUMBGABE-RRFJBIMHSA-N 2 2 354.451 -1.258 20 0 FAADLP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCO1 ZINC000649274894 483587221 /nfs/dbraw/zinc/58/72/21/483587221.db2.gz ZSWVPWZUMBGABE-SOUVJXGZSA-N 2 2 354.451 -1.258 20 0 FAADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCO1 ZINC000649274895 483587017 /nfs/dbraw/zinc/58/70/17/483587017.db2.gz ZSWVPWZUMBGABE-ZNMIVQPWSA-N 2 2 354.451 -1.258 20 0 FAADLP CO[C@H]1C[NH2+][C@@H](C(=O)N2CC[NH+]([C@H](C)C(=O)N3CCOCC3)CC2)C1 ZINC000649321686 483598600 /nfs/dbraw/zinc/59/86/00/483598600.db2.gz LWOZEDSGMCJALC-RBSFLKMASA-N 2 2 354.451 -1.245 20 0 FAADLP CO[C@H]1C[NH2+][C@@H](C(=O)N2CC[NH+]([C@@H](C)C(=O)N3CCOCC3)CC2)C1 ZINC000649321687 483599098 /nfs/dbraw/zinc/59/90/98/483599098.db2.gz LWOZEDSGMCJALC-RRFJBIMHSA-N 2 2 354.451 -1.245 20 0 FAADLP CN1CC[NH+](C[C@@H]2CN(C(=O)CN3CCCC[C@H]([NH3+])C3=O)CCO2)CC1 ZINC000649352447 483605310 /nfs/dbraw/zinc/60/53/10/483605310.db2.gz SGSKOAGSIJCCNC-CVEARBPZSA-N 2 2 367.494 -1.199 20 0 FAADLP CN1CC[NH+](C[C@H]2CN(C(=O)CN3CCCC[C@H]([NH3+])C3=O)CCO2)CC1 ZINC000649352448 483604768 /nfs/dbraw/zinc/60/47/68/483604768.db2.gz SGSKOAGSIJCCNC-HOTGVXAUSA-N 2 2 367.494 -1.199 20 0 FAADLP CN1CC[NH+](C[C@@H]2CN(C(=O)CN3CCCC[C@@H]([NH3+])C3=O)CCO2)CC1 ZINC000649352449 483605659 /nfs/dbraw/zinc/60/56/59/483605659.db2.gz SGSKOAGSIJCCNC-HZPDHXFCSA-N 2 2 367.494 -1.199 20 0 FAADLP CN1CC[NH+](C[C@H]2CN(C(=O)CN3CCCC[C@@H]([NH3+])C3=O)CCO2)CC1 ZINC000649352450 483605363 /nfs/dbraw/zinc/60/53/63/483605363.db2.gz SGSKOAGSIJCCNC-JKSUJKDBSA-N 2 2 367.494 -1.199 20 0 FAADLP [NH3+]C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCCO1 ZINC000649368186 483607106 /nfs/dbraw/zinc/60/71/06/483607106.db2.gz QGJQCJRYQPKUAJ-CABCVRRESA-N 2 2 354.451 -1.257 20 0 FAADLP [NH3+]C[C@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCCO1 ZINC000649368187 483606611 /nfs/dbraw/zinc/60/66/11/483606611.db2.gz QGJQCJRYQPKUAJ-GJZGRUSLSA-N 2 2 354.451 -1.257 20 0 FAADLP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCCO1 ZINC000649368188 483607046 /nfs/dbraw/zinc/60/70/46/483607046.db2.gz QGJQCJRYQPKUAJ-HUUCEWRRSA-N 2 2 354.451 -1.257 20 0 FAADLP [NH3+]C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCCO1 ZINC000649368189 483606540 /nfs/dbraw/zinc/60/65/40/483606540.db2.gz QGJQCJRYQPKUAJ-LSDHHAIUSA-N 2 2 354.451 -1.257 20 0 FAADLP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CCO1 ZINC000649410550 483608195 /nfs/dbraw/zinc/60/81/95/483608195.db2.gz HWGHSEIQQWXWJR-NEPJUHHUSA-N 2 2 350.423 -1.128 20 0 FAADLP C[C@@H]([NH3+])[C@@H]1C[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CCO1 ZINC000649410550 483608188 /nfs/dbraw/zinc/60/81/88/483608188.db2.gz HWGHSEIQQWXWJR-NEPJUHHUSA-N 2 2 350.423 -1.128 20 0 FAADLP C[C@H]([NH3+])[C@H]1C[N@@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CCO1 ZINC000649410551 483608605 /nfs/dbraw/zinc/60/86/05/483608605.db2.gz HWGHSEIQQWXWJR-NWDGAFQWSA-N 2 2 350.423 -1.128 20 0 FAADLP C[C@H]([NH3+])[C@H]1C[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CCO1 ZINC000649410551 483608600 /nfs/dbraw/zinc/60/86/00/483608600.db2.gz HWGHSEIQQWXWJR-NWDGAFQWSA-N 2 2 350.423 -1.128 20 0 FAADLP C[C@H]([NH3+])[C@@H]1C[N@@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CCO1 ZINC000649410552 483608767 /nfs/dbraw/zinc/60/87/67/483608767.db2.gz HWGHSEIQQWXWJR-RYUDHWBXSA-N 2 2 350.423 -1.128 20 0 FAADLP C[C@H]([NH3+])[C@@H]1C[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CCO1 ZINC000649410552 483608761 /nfs/dbraw/zinc/60/87/61/483608761.db2.gz HWGHSEIQQWXWJR-RYUDHWBXSA-N 2 2 350.423 -1.128 20 0 FAADLP C[C@@H]([NH3+])[C@H]1C[N@@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CCO1 ZINC000649410553 483608371 /nfs/dbraw/zinc/60/83/71/483608371.db2.gz HWGHSEIQQWXWJR-VXGBXAGGSA-N 2 2 350.423 -1.128 20 0 FAADLP C[C@@H]([NH3+])[C@H]1C[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CCO1 ZINC000649410553 483608367 /nfs/dbraw/zinc/60/83/67/483608367.db2.gz HWGHSEIQQWXWJR-VXGBXAGGSA-N 2 2 350.423 -1.128 20 0 FAADLP C[NH+](C)CCN1CCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1=O ZINC000649687360 483633169 /nfs/dbraw/zinc/63/31/69/483633169.db2.gz NOCAPLNOWGOAPJ-UHFFFAOYSA-N 2 2 369.510 -1.081 20 0 FAADLP O=C(N=c1ccn(CC[NH+]2CCOCC2)[nH]1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000650045747 483665426 /nfs/dbraw/zinc/66/54/26/483665426.db2.gz NDPDLDBGUKRZSP-OAHLLOKOSA-N 2 2 364.450 -1.080 20 0 FAADLP O=C(N=c1ccn(CC[NH+]2CCOCC2)[nH]1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000650045747 483665422 /nfs/dbraw/zinc/66/54/22/483665422.db2.gz NDPDLDBGUKRZSP-OAHLLOKOSA-N 2 2 364.450 -1.080 20 0 FAADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000650863643 482707886 /nfs/dbraw/zinc/70/78/86/482707886.db2.gz YYVAZQXQTBXWRZ-OAHLLOKOSA-N 2 2 353.467 -1.001 20 0 FAADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000650863643 482707885 /nfs/dbraw/zinc/70/78/85/482707885.db2.gz YYVAZQXQTBXWRZ-OAHLLOKOSA-N 2 2 353.467 -1.001 20 0 FAADLP CC(C)Nc1nc(NCCO)nc(N2CCN(CC[NH+](C)C)C(=O)C2)[nH+]1 ZINC000651383026 482773934 /nfs/dbraw/zinc/77/39/34/482773934.db2.gz GCNUEKNXNHTCGV-UHFFFAOYSA-N 2 2 366.470 -1.850 20 0 FAADLP CC(C)Nc1nc(NCCO)[nH+]c(N2CCN(CC[NH+](C)C)C(=O)C2)n1 ZINC000651383026 482773929 /nfs/dbraw/zinc/77/39/29/482773929.db2.gz GCNUEKNXNHTCGV-UHFFFAOYSA-N 2 2 366.470 -1.850 20 0 FAADLP CC(C)Nc1nc(N2CCN(CC[NH+](C)C)C(=O)C2)nc(NCCO)[nH+]1 ZINC000651383026 482773914 /nfs/dbraw/zinc/77/39/14/482773914.db2.gz GCNUEKNXNHTCGV-UHFFFAOYSA-N 2 2 366.470 -1.850 20 0 FAADLP CN1CCN(c2cc(N3CCN(CC[NH+](C)C)C(=O)C3)[nH+]cn2)CC1=O ZINC000651383252 482773205 /nfs/dbraw/zinc/77/32/05/482773205.db2.gz RCEPCZOOFSGFJX-UHFFFAOYSA-N 2 2 361.450 -1.035 20 0 FAADLP CN1CCN(c2cc(N3CCN(CC[NH+](C)C)C(=O)C3)nc[nH+]2)CC1=O ZINC000651383252 482773201 /nfs/dbraw/zinc/77/32/01/482773201.db2.gz RCEPCZOOFSGFJX-UHFFFAOYSA-N 2 2 361.450 -1.035 20 0 FAADLP C[NH+](C)CCN1CCN(S(=O)(=O)CCC[NH+]2CCOCC2)CC1=O ZINC000651793454 482818198 /nfs/dbraw/zinc/81/81/98/482818198.db2.gz QNLLRKIXIJFRHE-UHFFFAOYSA-N 2 2 362.496 -1.256 20 0 FAADLP COCCOCC[NH+]1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000652201369 482842765 /nfs/dbraw/zinc/84/27/65/482842765.db2.gz DESSEYAYFMYYES-UHFFFAOYSA-N 2 2 357.455 -1.592 20 0 FAADLP CCO[C@@H]1C[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C[C@H]1C[NH3+] ZINC000652356848 482853487 /nfs/dbraw/zinc/85/34/87/482853487.db2.gz LFKAMINYGUFGKQ-CHWSQXEVSA-N 2 2 350.485 -1.320 20 0 FAADLP CCO[C@@H]1C[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C[C@H]1C[NH3+] ZINC000652356848 482853479 /nfs/dbraw/zinc/85/34/79/482853479.db2.gz LFKAMINYGUFGKQ-CHWSQXEVSA-N 2 2 350.485 -1.320 20 0 FAADLP CCO[C@@H]1C[N@@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@H]1C[NH3+] ZINC000652357042 482854337 /nfs/dbraw/zinc/85/43/37/482854337.db2.gz YKQRHPZWKFXIRB-HUUCEWRRSA-N 2 2 355.483 -1.486 20 0 FAADLP CCO[C@@H]1C[N@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@H]1C[NH3+] ZINC000652357042 482854335 /nfs/dbraw/zinc/85/43/35/482854335.db2.gz YKQRHPZWKFXIRB-HUUCEWRRSA-N 2 2 355.483 -1.486 20 0 FAADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[NH+](CCOCCOC)CC2)CC1 ZINC000652386250 482855288 /nfs/dbraw/zinc/85/52/88/482855288.db2.gz LSIDTTNHRQEOFD-UHFFFAOYSA-N 2 2 356.467 -1.042 20 0 FAADLP CN(Cc1[nH+]ccn1C)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652394774 482856890 /nfs/dbraw/zinc/85/68/90/482856890.db2.gz FIVVMZONGBWBEF-UHFFFAOYSA-N 2 2 350.423 -1.389 20 0 FAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000652397109 482856700 /nfs/dbraw/zinc/85/67/00/482856700.db2.gz VDBJGLYEPJRXIU-UHFFFAOYSA-N 2 2 369.466 -1.991 20 0 FAADLP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)CC1=O ZINC000652400018 482856672 /nfs/dbraw/zinc/85/66/72/482856672.db2.gz SGRQOPMVUJXEDX-UHFFFAOYSA-N 2 2 351.451 -1.475 20 0 FAADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652430172 482858129 /nfs/dbraw/zinc/85/81/29/482858129.db2.gz QVYWZKPEQLLCFX-UHFFFAOYSA-N 2 2 369.466 -1.991 20 0 FAADLP Cc1cn2c([nH+]1)CN(C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)CC2 ZINC000652469944 482861912 /nfs/dbraw/zinc/86/19/12/482861912.db2.gz IVPPIUKCVRGRBG-UHFFFAOYSA-N 2 2 362.434 -1.234 20 0 FAADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652472294 482861445 /nfs/dbraw/zinc/86/14/45/482861445.db2.gz FFZUGRJTTJWULX-UHFFFAOYSA-N 2 2 364.450 -1.036 20 0 FAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000652505419 482865238 /nfs/dbraw/zinc/86/52/38/482865238.db2.gz PEQCJIZIAJXCJO-AWEZNQCLSA-N 2 2 369.466 -2.256 20 0 FAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)CC1 ZINC000652550318 482867112 /nfs/dbraw/zinc/86/71/12/482867112.db2.gz IHBTXYYQUBYRHX-JKSUJKDBSA-N 2 2 368.478 -1.044 20 0 FAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)CC1 ZINC000652550318 482867107 /nfs/dbraw/zinc/86/71/07/482867107.db2.gz IHBTXYYQUBYRHX-JKSUJKDBSA-N 2 2 368.478 -1.044 20 0 FAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000652694988 482766067 /nfs/dbraw/zinc/76/60/67/482766067.db2.gz LECAWLGFUWYVNA-HNNXBMFYSA-N 2 2 356.467 -1.091 20 0 FAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000652694989 482767078 /nfs/dbraw/zinc/76/70/78/482767078.db2.gz LECAWLGFUWYVNA-OAHLLOKOSA-N 2 2 356.467 -1.091 20 0 FAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)NCC2CC[NH2+]CC2)CC1 ZINC000652695549 482768395 /nfs/dbraw/zinc/76/83/95/482768395.db2.gz WJYSIPCZKRAGPY-UHFFFAOYSA-N 2 2 356.467 -1.091 20 0 FAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000652695693 482786565 /nfs/dbraw/zinc/78/65/65/482786565.db2.gz ZBTZFBZAKXUADQ-UHFFFAOYSA-N 2 2 371.482 -2.185 20 0 FAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000652697421 482953466 /nfs/dbraw/zinc/95/34/66/482953466.db2.gz DTSHNTMREWGCKD-HNNXBMFYSA-N 2 2 356.467 -1.091 20 0 FAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000652697422 482953507 /nfs/dbraw/zinc/95/35/07/482953507.db2.gz DTSHNTMREWGCKD-OAHLLOKOSA-N 2 2 356.467 -1.091 20 0 FAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000652701750 482960178 /nfs/dbraw/zinc/96/01/78/482960178.db2.gz IQSRQCGBAHIKSZ-CABCVRRESA-N 2 2 356.467 -1.092 20 0 FAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000652701751 482960447 /nfs/dbraw/zinc/96/04/47/482960447.db2.gz IQSRQCGBAHIKSZ-GJZGRUSLSA-N 2 2 356.467 -1.092 20 0 FAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000652701752 482959672 /nfs/dbraw/zinc/95/96/72/482959672.db2.gz IQSRQCGBAHIKSZ-HUUCEWRRSA-N 2 2 356.467 -1.092 20 0 FAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000652701753 482960236 /nfs/dbraw/zinc/96/02/36/482960236.db2.gz IQSRQCGBAHIKSZ-LSDHHAIUSA-N 2 2 356.467 -1.092 20 0 FAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)NCC2=CC[NH2+]CC2)CC1 ZINC000652703007 482960043 /nfs/dbraw/zinc/96/00/43/482960043.db2.gz ILCNZVWNJYGSHX-UHFFFAOYSA-N 2 2 354.451 -1.171 20 0 FAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000652703295 482960348 /nfs/dbraw/zinc/96/03/48/482960348.db2.gz OJFRPLLIAMDQDG-UHFFFAOYSA-N 2 2 352.382 -1.496 20 0 FAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000652703327 482960017 /nfs/dbraw/zinc/96/00/17/482960017.db2.gz PBLLVNYVAKXLKL-CABCVRRESA-N 2 2 356.467 -1.092 20 0 FAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000652703328 482960189 /nfs/dbraw/zinc/96/01/89/482960189.db2.gz PBLLVNYVAKXLKL-GJZGRUSLSA-N 2 2 356.467 -1.092 20 0 FAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000652703329 482959760 /nfs/dbraw/zinc/95/97/60/482959760.db2.gz PBLLVNYVAKXLKL-HUUCEWRRSA-N 2 2 356.467 -1.092 20 0 FAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000652703330 482960491 /nfs/dbraw/zinc/96/04/91/482960491.db2.gz PBLLVNYVAKXLKL-LSDHHAIUSA-N 2 2 356.467 -1.092 20 0 FAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000652704190 482960387 /nfs/dbraw/zinc/96/03/87/482960387.db2.gz HFJWSBSQBTXUBT-HNNXBMFYSA-N 2 2 372.466 -1.712 20 0 FAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000652704191 482960084 /nfs/dbraw/zinc/96/00/84/482960084.db2.gz HFJWSBSQBTXUBT-OAHLLOKOSA-N 2 2 372.466 -1.712 20 0 FAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000652705014 482959827 /nfs/dbraw/zinc/95/98/27/482959827.db2.gz YMYFOUYKUXJROQ-AWEZNQCLSA-N 2 2 358.439 -2.102 20 0 FAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000652705015 482960298 /nfs/dbraw/zinc/96/02/98/482960298.db2.gz YMYFOUYKUXJROQ-CQSZACIVSA-N 2 2 358.439 -2.102 20 0 FAADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](OCC)C2)CC1 ZINC000652726626 483004009 /nfs/dbraw/zinc/00/40/09/483004009.db2.gz DXYVYXYSCPVTIU-HUUCEWRRSA-N 2 2 356.467 -1.011 20 0 FAADLP CCO[C@@H]1CN(C(=O)C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)C[C@H]1C[NH3+] ZINC000652730760 483043340 /nfs/dbraw/zinc/04/33/40/483043340.db2.gz OCSDGHKGZCEACE-RBSFLKMASA-N 2 2 356.467 -1.012 20 0 FAADLP CCO[C@@H]1CN(C(=O)C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C[NH3+] ZINC000652730761 483042833 /nfs/dbraw/zinc/04/28/33/483042833.db2.gz OCSDGHKGZCEACE-RRFJBIMHSA-N 2 2 356.467 -1.012 20 0 FAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000652731134 483051077 /nfs/dbraw/zinc/05/10/77/483051077.db2.gz BXYNAVLWCFYLGS-HNNXBMFYSA-N 2 2 371.482 -2.105 20 0 FAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000652731135 483050981 /nfs/dbraw/zinc/05/09/81/483050981.db2.gz BXYNAVLWCFYLGS-OAHLLOKOSA-N 2 2 371.482 -2.105 20 0 FAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])C[C@H]2C)CC1 ZINC000652731620 483057166 /nfs/dbraw/zinc/05/71/66/483057166.db2.gz POVXAAMHAVKJNT-CABCVRRESA-N 2 2 356.467 -1.011 20 0 FAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)CC1 ZINC000652731621 483057108 /nfs/dbraw/zinc/05/71/08/483057108.db2.gz POVXAAMHAVKJNT-GJZGRUSLSA-N 2 2 356.467 -1.011 20 0 FAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)CC1 ZINC000652731622 483056154 /nfs/dbraw/zinc/05/61/54/483056154.db2.gz POVXAAMHAVKJNT-HUUCEWRRSA-N 2 2 356.467 -1.011 20 0 FAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)CC1 ZINC000652731623 483056381 /nfs/dbraw/zinc/05/63/81/483056381.db2.gz POVXAAMHAVKJNT-LSDHHAIUSA-N 2 2 356.467 -1.011 20 0 FAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000652731758 483056176 /nfs/dbraw/zinc/05/61/76/483056176.db2.gz UAWVJLXJRWBEDS-CABCVRRESA-N 2 2 372.466 -1.632 20 0 FAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000652731759 483056345 /nfs/dbraw/zinc/05/63/45/483056345.db2.gz UAWVJLXJRWBEDS-GJZGRUSLSA-N 2 2 372.466 -1.632 20 0 FAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000652731760 483056085 /nfs/dbraw/zinc/05/60/85/483056085.db2.gz UAWVJLXJRWBEDS-HUUCEWRRSA-N 2 2 372.466 -1.632 20 0 FAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000652731761 483057132 /nfs/dbraw/zinc/05/71/32/483057132.db2.gz UAWVJLXJRWBEDS-LSDHHAIUSA-N 2 2 372.466 -1.632 20 0 FAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N2CCC(C[NH3+])CC2)CC1 ZINC000652731921 483058237 /nfs/dbraw/zinc/05/82/37/483058237.db2.gz YRCPFKBKYXGPFE-UHFFFAOYSA-N 2 2 356.467 -1.009 20 0 FAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000652731992 483059415 /nfs/dbraw/zinc/05/94/15/483059415.db2.gz ALGKGBFRIYDGNA-AWEZNQCLSA-N 2 2 358.439 -2.020 20 0 FAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000652731993 483059874 /nfs/dbraw/zinc/05/98/74/483059874.db2.gz ALGKGBFRIYDGNA-CQSZACIVSA-N 2 2 358.439 -2.020 20 0 FAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000652732216 483059434 /nfs/dbraw/zinc/05/94/34/483059434.db2.gz GFKNCPIYUOGQRR-HNNXBMFYSA-N 2 2 372.466 -1.630 20 0 FAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CC1 ZINC000652732217 483059581 /nfs/dbraw/zinc/05/95/81/483059581.db2.gz GFKNCPIYUOGQRR-OAHLLOKOSA-N 2 2 372.466 -1.630 20 0 FAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)CC1 ZINC000652732421 483061776 /nfs/dbraw/zinc/06/17/76/483061776.db2.gz KVIBTGASXXUXMI-KRWDZBQOSA-N 2 2 356.467 -1.009 20 0 FAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)CC1 ZINC000652732422 483061642 /nfs/dbraw/zinc/06/16/42/483061642.db2.gz KVIBTGASXXUXMI-QGZVFWFLSA-N 2 2 356.467 -1.009 20 0 FAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)CC1 ZINC000652732434 483061205 /nfs/dbraw/zinc/06/12/05/483061205.db2.gz LCLWKDUZBHAQCO-CABCVRRESA-N 2 2 356.467 -1.011 20 0 FAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000652732435 483061934 /nfs/dbraw/zinc/06/19/34/483061934.db2.gz LCLWKDUZBHAQCO-GJZGRUSLSA-N 2 2 356.467 -1.011 20 0 FAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)CC1 ZINC000652732436 483062006 /nfs/dbraw/zinc/06/20/06/483062006.db2.gz LCLWKDUZBHAQCO-HUUCEWRRSA-N 2 2 356.467 -1.011 20 0 FAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)CC1 ZINC000652732437 483061160 /nfs/dbraw/zinc/06/11/60/483061160.db2.gz LCLWKDUZBHAQCO-LSDHHAIUSA-N 2 2 356.467 -1.011 20 0 FAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000652732906 483069133 /nfs/dbraw/zinc/06/91/33/483069133.db2.gz WDBKZCOVJVCGSN-CABCVRRESA-N 2 2 356.467 -1.011 20 0 FAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000652732907 483069156 /nfs/dbraw/zinc/06/91/56/483069156.db2.gz WDBKZCOVJVCGSN-GJZGRUSLSA-N 2 2 356.467 -1.011 20 0 FAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000652732908 483068426 /nfs/dbraw/zinc/06/84/26/483068426.db2.gz WDBKZCOVJVCGSN-HUUCEWRRSA-N 2 2 356.467 -1.011 20 0 FAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000652732909 483068967 /nfs/dbraw/zinc/06/89/67/483068967.db2.gz WDBKZCOVJVCGSN-LSDHHAIUSA-N 2 2 356.467 -1.011 20 0 FAADLP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CCOCCOC)CC2)C1 ZINC000652732915 483068920 /nfs/dbraw/zinc/06/89/20/483068920.db2.gz WMBBDNKDKQELNJ-HNNXBMFYSA-N 2 2 356.467 -1.139 20 0 FAADLP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CCOCCOC)CC2)C1 ZINC000652732916 483068746 /nfs/dbraw/zinc/06/87/46/483068746.db2.gz WMBBDNKDKQELNJ-OAHLLOKOSA-N 2 2 356.467 -1.139 20 0 FAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000652732960 483069333 /nfs/dbraw/zinc/06/93/33/483069333.db2.gz XXTXAZWODKZMMC-GASCZTMLSA-N 2 2 354.451 -1.529 20 0 FAADLP CCO[C@@H]1CN(C(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C[C@H]1C[NH3+] ZINC000652736994 483077128 /nfs/dbraw/zinc/07/71/28/483077128.db2.gz VYUCGZKVPJPQDA-QLFBSQMISA-N 2 2 372.466 -2.040 20 0 FAADLP CCO[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C[C@H]1C[NH3+] ZINC000652736995 483077749 /nfs/dbraw/zinc/07/77/49/483077749.db2.gz VYUCGZKVPJPQDA-RBSFLKMASA-N 2 2 372.466 -2.040 20 0 FAADLP O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652888845 483191170 /nfs/dbraw/zinc/19/11/70/483191170.db2.gz XVTUVDSBMLSASV-GDBMZVCRSA-N 2 2 366.462 -1.556 20 0 FAADLP O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652888845 483191164 /nfs/dbraw/zinc/19/11/64/483191164.db2.gz XVTUVDSBMLSASV-GDBMZVCRSA-N 2 2 366.462 -1.556 20 0 FAADLP O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652888846 483190864 /nfs/dbraw/zinc/19/08/64/483190864.db2.gz XVTUVDSBMLSASV-GOEBONIOSA-N 2 2 366.462 -1.556 20 0 FAADLP O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652888846 483190860 /nfs/dbraw/zinc/19/08/60/483190860.db2.gz XVTUVDSBMLSASV-GOEBONIOSA-N 2 2 366.462 -1.556 20 0 FAADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000653062194 483271305 /nfs/dbraw/zinc/27/13/05/483271305.db2.gz QETLXAKQYTXYFA-CYBMUJFWSA-N 2 2 355.439 -2.205 20 0 FAADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000653062195 483270895 /nfs/dbraw/zinc/27/08/95/483270895.db2.gz QETLXAKQYTXYFA-ZDUSSCGKSA-N 2 2 355.439 -2.205 20 0 FAADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000653071838 483271018 /nfs/dbraw/zinc/27/10/18/483271018.db2.gz VAAAXLAEESWIBK-CYBMUJFWSA-N 2 2 363.484 -2.013 20 0 FAADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000653071839 483270853 /nfs/dbraw/zinc/27/08/53/483270853.db2.gz VAAAXLAEESWIBK-ZDUSSCGKSA-N 2 2 363.484 -2.013 20 0 FAADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000653089482 482537796 /nfs/dbraw/zinc/53/77/96/482537796.db2.gz IUTNATAZIBIWGK-CHWSQXEVSA-N 2 2 350.485 -1.130 20 0 FAADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000653089483 482537081 /nfs/dbraw/zinc/53/70/81/482537081.db2.gz IUTNATAZIBIWGK-OLZOCXBDSA-N 2 2 350.485 -1.130 20 0 FAADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000653089484 482537092 /nfs/dbraw/zinc/53/70/92/482537092.db2.gz IUTNATAZIBIWGK-QWHCGFSZSA-N 2 2 350.485 -1.130 20 0 FAADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000653089485 482537609 /nfs/dbraw/zinc/53/76/09/482537609.db2.gz IUTNATAZIBIWGK-STQMWFEESA-N 2 2 350.485 -1.130 20 0 FAADLP Cc1cc(NC(=O)CN2CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC2)no1 ZINC000653107769 482566186 /nfs/dbraw/zinc/56/61/86/482566186.db2.gz XMFYSWXPDPATIX-CYBMUJFWSA-N 2 2 352.439 -1.233 20 0 FAADLP Cc1cc(NC(=O)CN2CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC2)no1 ZINC000653107770 482565391 /nfs/dbraw/zinc/56/53/91/482565391.db2.gz XMFYSWXPDPATIX-ZDUSSCGKSA-N 2 2 352.439 -1.233 20 0 FAADLP COCCCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653117687 482567913 /nfs/dbraw/zinc/56/79/13/482567913.db2.gz SYDOREHUMZIHDE-CABCVRRESA-N 2 2 357.499 -1.049 20 0 FAADLP COCCCNC(=O)[C@H](C)N1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653117688 482567139 /nfs/dbraw/zinc/56/71/39/482567139.db2.gz SYDOREHUMZIHDE-GJZGRUSLSA-N 2 2 357.499 -1.049 20 0 FAADLP COCCCNC(=O)[C@@H](C)N1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653117689 482567886 /nfs/dbraw/zinc/56/78/86/482567886.db2.gz SYDOREHUMZIHDE-HUUCEWRRSA-N 2 2 357.499 -1.049 20 0 FAADLP COCCCNC(=O)[C@H](C)N1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653117690 482567834 /nfs/dbraw/zinc/56/78/34/482567834.db2.gz SYDOREHUMZIHDE-LSDHHAIUSA-N 2 2 357.499 -1.049 20 0 FAADLP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653121604 482566794 /nfs/dbraw/zinc/56/67/94/482566794.db2.gz ZWYMAUYGRWPDAT-VBQJREDUSA-N 2 2 352.435 -1.728 20 0 FAADLP O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653121605 482567186 /nfs/dbraw/zinc/56/71/86/482567186.db2.gz ZWYMAUYGRWPDAT-ZQIUZPCESA-N 2 2 352.435 -1.728 20 0 FAADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000653150685 482570119 /nfs/dbraw/zinc/57/01/19/482570119.db2.gz LEDKNJMLRUSQDY-KBPBESRZSA-N 2 2 362.496 -1.082 20 0 FAADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000653150686 482570634 /nfs/dbraw/zinc/57/06/34/482570634.db2.gz LEDKNJMLRUSQDY-KGLIPLIRSA-N 2 2 362.496 -1.082 20 0 FAADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000653150687 482570289 /nfs/dbraw/zinc/57/02/89/482570289.db2.gz LEDKNJMLRUSQDY-UONOGXRCSA-N 2 2 362.496 -1.082 20 0 FAADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000653150688 482570980 /nfs/dbraw/zinc/57/09/80/482570980.db2.gz LEDKNJMLRUSQDY-ZIAGYGMSSA-N 2 2 362.496 -1.082 20 0 FAADLP CCO[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@H]1C[NH3+] ZINC000653246893 482663271 /nfs/dbraw/zinc/66/32/71/482663271.db2.gz CNJFMHVMKVVTDC-ARFHVFGLSA-N 2 2 368.478 -1.011 20 0 FAADLP CCO[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@H]1C[NH3+] ZINC000653246894 482662999 /nfs/dbraw/zinc/66/29/99/482662999.db2.gz CNJFMHVMKVVTDC-BZUAXINKSA-N 2 2 368.478 -1.011 20 0 FAADLP C[NH+](C)CCN1CCN(C(=O)C(=O)NCCCn2cc[nH+]c2)CC1=O ZINC000653350115 482990811 /nfs/dbraw/zinc/99/08/11/482990811.db2.gz KKUCNZIOWDETPF-UHFFFAOYSA-N 2 2 350.423 -1.378 20 0 FAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)NCCn2cc[nH+]c2)CC1 ZINC000653356564 483043390 /nfs/dbraw/zinc/04/33/90/483043390.db2.gz TUKRBSMBJOGRMC-UHFFFAOYSA-N 2 2 353.423 -1.194 20 0 FAADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653368939 483083288 /nfs/dbraw/zinc/08/32/88/483083288.db2.gz GAVPKATYKHMSQA-AWEZNQCLSA-N 2 2 369.466 -1.944 20 0 FAADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653368940 483082610 /nfs/dbraw/zinc/08/26/10/483082610.db2.gz GAVPKATYKHMSQA-CQSZACIVSA-N 2 2 369.466 -1.944 20 0 FAADLP CN1CCN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1=O ZINC000653385983 483091088 /nfs/dbraw/zinc/09/10/88/483091088.db2.gz LXJSAEPITVFTFC-UHFFFAOYSA-N 2 2 365.478 -1.038 20 0 FAADLP CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000653398965 483099565 /nfs/dbraw/zinc/09/95/65/483099565.db2.gz VIGVRNOYYJAMCC-CYBMUJFWSA-N 2 2 351.451 -1.428 20 0 FAADLP CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000653398965 483099563 /nfs/dbraw/zinc/09/95/63/483099563.db2.gz VIGVRNOYYJAMCC-CYBMUJFWSA-N 2 2 351.451 -1.428 20 0 FAADLP CN1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000653398966 483098783 /nfs/dbraw/zinc/09/87/83/483098783.db2.gz VIGVRNOYYJAMCC-ZDUSSCGKSA-N 2 2 351.451 -1.428 20 0 FAADLP CN1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000653398966 483098775 /nfs/dbraw/zinc/09/87/75/483098775.db2.gz VIGVRNOYYJAMCC-ZDUSSCGKSA-N 2 2 351.451 -1.428 20 0 FAADLP C[NH+](C)CCN1CCN(C(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1=O ZINC000653427588 483145773 /nfs/dbraw/zinc/14/57/73/483145773.db2.gz OABAXVGOIOHPQK-CYBMUJFWSA-N 2 2 362.434 -1.454 20 0 FAADLP C[NH+](C)CCN1CCN(C(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1=O ZINC000653427589 483145934 /nfs/dbraw/zinc/14/59/34/483145934.db2.gz OABAXVGOIOHPQK-ZDUSSCGKSA-N 2 2 362.434 -1.454 20 0 FAADLP Cn1c[nH+]c(CCNC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)c1 ZINC000653432487 483152179 /nfs/dbraw/zinc/15/21/79/483152179.db2.gz LQYXMRMSAIPMLN-UHFFFAOYSA-N 2 2 350.423 -1.689 20 0 FAADLP C[C@H](CNC(=O)CS(=O)(=O)CC(=O)NC[C@H](C)[NH+](C)C)[NH+](C)C ZINC000654479735 483686196 /nfs/dbraw/zinc/68/61/96/483686196.db2.gz FMOCRHHTARNHCE-TXEJJXNPSA-N 2 2 350.485 -1.466 20 0 FAADLP C[C@H](CNC(=O)CS(=O)(=O)CC(=O)NC[C@@H](C)[NH+](C)C)[NH+](C)C ZINC000654479736 483685805 /nfs/dbraw/zinc/68/58/05/483685805.db2.gz FMOCRHHTARNHCE-VXGBXAGGSA-N 2 2 350.485 -1.466 20 0 FAADLP CN(CC[NH+](C)C)C(=O)CS(=O)(=O)CC(=O)N(C)CC[NH+](C)C ZINC000654853160 483692654 /nfs/dbraw/zinc/69/26/54/483692654.db2.gz QQKYBCYIFXUMMM-UHFFFAOYSA-N 2 2 350.485 -1.559 20 0 FAADLP C[C@@H](C[NH+](C)C)NC(=O)CS(=O)(=O)CC(=O)N[C@@H](C)C[NH+](C)C ZINC000655077515 483695354 /nfs/dbraw/zinc/69/53/54/483695354.db2.gz KMLVOQSLDNAVSQ-RYUDHWBXSA-N 2 2 350.485 -1.466 20 0 FAADLP C[NH+](C)C1(CNC(=O)CS(=O)(=O)CC(=O)NCC2([NH+](C)C)CC2)CC1 ZINC000655150296 483696559 /nfs/dbraw/zinc/69/65/59/483696559.db2.gz HPSQDLDUGHDDGW-UHFFFAOYSA-N 2 2 374.507 -1.178 20 0 FAADLP O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655298263 482572512 /nfs/dbraw/zinc/57/25/12/482572512.db2.gz BSVAOSZKCVOATA-HRCADAONSA-N 2 2 366.462 -1.556 20 0 FAADLP O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655298263 482572507 /nfs/dbraw/zinc/57/25/07/482572507.db2.gz BSVAOSZKCVOATA-HRCADAONSA-N 2 2 366.462 -1.556 20 0 FAADLP O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655298264 482572102 /nfs/dbraw/zinc/57/21/02/482572102.db2.gz BSVAOSZKCVOATA-OWCLPIDISA-N 2 2 366.462 -1.556 20 0 FAADLP O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655298264 482572097 /nfs/dbraw/zinc/57/20/97/482572097.db2.gz BSVAOSZKCVOATA-OWCLPIDISA-N 2 2 366.462 -1.556 20 0 FAADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000655479512 482758076 /nfs/dbraw/zinc/75/80/76/482758076.db2.gz DHXZCNLCRDXPLQ-GFCCVEGCSA-N 2 2 353.448 -1.109 20 0 FAADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000655479513 482758284 /nfs/dbraw/zinc/75/82/84/482758284.db2.gz DHXZCNLCRDXPLQ-LBPRGKRZSA-N 2 2 353.448 -1.109 20 0 FAADLP C[C@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656019613 483699664 /nfs/dbraw/zinc/69/96/64/483699664.db2.gz HPGYIWOWHAXEMW-KFWWJZLASA-N 2 2 355.483 -1.378 20 0 FAADLP C[C@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656019613 483699661 /nfs/dbraw/zinc/69/96/61/483699661.db2.gz HPGYIWOWHAXEMW-KFWWJZLASA-N 2 2 355.483 -1.378 20 0 FAADLP C[C@@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656019615 483700238 /nfs/dbraw/zinc/70/02/38/483700238.db2.gz HPGYIWOWHAXEMW-SOUVJXGZSA-N 2 2 355.483 -1.378 20 0 FAADLP C[C@@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656019615 483700234 /nfs/dbraw/zinc/70/02/34/483700234.db2.gz HPGYIWOWHAXEMW-SOUVJXGZSA-N 2 2 355.483 -1.378 20 0 FAADLP C[C@H](CNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656020683 483700103 /nfs/dbraw/zinc/70/01/03/483700103.db2.gz VEJCPUGUIBHTAS-MCIONIFRSA-N 2 2 369.466 -1.852 20 0 FAADLP C[C@H](CNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656020683 483700098 /nfs/dbraw/zinc/70/00/98/483700098.db2.gz VEJCPUGUIBHTAS-MCIONIFRSA-N 2 2 369.466 -1.852 20 0 FAADLP C[C@@H](CNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656020686 483699987 /nfs/dbraw/zinc/69/99/87/483699987.db2.gz VEJCPUGUIBHTAS-MELADBBJSA-N 2 2 369.466 -1.852 20 0 FAADLP C[C@@H](CNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656020686 483699983 /nfs/dbraw/zinc/69/99/83/483699983.db2.gz VEJCPUGUIBHTAS-MELADBBJSA-N 2 2 369.466 -1.852 20 0 FAADLP C[C@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656039777 483699818 /nfs/dbraw/zinc/69/98/18/483699818.db2.gz GOLCUJUXCACSHB-APIJFGDWSA-N 2 2 355.483 -1.298 20 0 FAADLP C[C@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656039777 483699816 /nfs/dbraw/zinc/69/98/16/483699816.db2.gz GOLCUJUXCACSHB-APIJFGDWSA-N 2 2 355.483 -1.298 20 0 FAADLP C[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656039778 483700068 /nfs/dbraw/zinc/70/00/68/483700068.db2.gz GOLCUJUXCACSHB-BYNSBNAKSA-N 2 2 355.483 -1.298 20 0 FAADLP C[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656039778 483700063 /nfs/dbraw/zinc/70/00/63/483700063.db2.gz GOLCUJUXCACSHB-BYNSBNAKSA-N 2 2 355.483 -1.298 20 0 FAADLP C[C@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656039779 483699810 /nfs/dbraw/zinc/69/98/10/483699810.db2.gz GOLCUJUXCACSHB-KBXIAJHMSA-N 2 2 355.483 -1.298 20 0 FAADLP C[C@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656039779 483699807 /nfs/dbraw/zinc/69/98/07/483699807.db2.gz GOLCUJUXCACSHB-KBXIAJHMSA-N 2 2 355.483 -1.298 20 0 FAADLP C[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656039780 483700147 /nfs/dbraw/zinc/70/01/47/483700147.db2.gz GOLCUJUXCACSHB-XQLPTFJDSA-N 2 2 355.483 -1.298 20 0 FAADLP C[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656039780 483700143 /nfs/dbraw/zinc/70/01/43/483700143.db2.gz GOLCUJUXCACSHB-XQLPTFJDSA-N 2 2 355.483 -1.298 20 0 FAADLP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000656060392 483700303 /nfs/dbraw/zinc/70/03/03/483700303.db2.gz WQGBERCERNEBFL-ARFHVFGLSA-N 2 2 366.462 -1.413 20 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WDEYNVIVTUWMSV-HNNXBMFYSA-N 2 2 356.467 -1.044 20 0 FAADLP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658542578 483733132 /nfs/dbraw/zinc/73/31/32/483733132.db2.gz WDEYNVIVTUWMSV-OAHLLOKOSA-N 2 2 356.467 -1.044 20 0 FAADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N(C)CC2C[NH+](C)C2)CC1 ZINC000658649886 483734075 /nfs/dbraw/zinc/73/40/75/483734075.db2.gz WRIGOBQASAKRLO-UHFFFAOYSA-N 2 2 353.467 -1.371 20 0 FAADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N(C)CC2C[NH+](C)C2)CC1 ZINC000658754725 483735250 /nfs/dbraw/zinc/73/52/50/483735250.db2.gz RVOPGKWNVRTPSZ-UHFFFAOYSA-N 2 2 356.467 -1.188 20 0 FAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N(C)CC2C[NH+](C)C2)CC1 ZINC000658783980 483735232 /nfs/dbraw/zinc/73/52/32/483735232.db2.gz UGZOXRAGBTUACA-UHFFFAOYSA-N 2 2 356.467 -1.186 20 0 FAADLP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658784154 483735014 /nfs/dbraw/zinc/73/50/14/483735014.db2.gz BYUVWEXPECQMRR-QLFBSQMISA-N 2 2 352.435 -1.803 20 0 FAADLP O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658784154 483735012 /nfs/dbraw/zinc/73/50/12/483735012.db2.gz BYUVWEXPECQMRR-QLFBSQMISA-N 2 2 352.435 -1.803 20 0 FAADLP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658784156 483734950 /nfs/dbraw/zinc/73/49/50/483734950.db2.gz BYUVWEXPECQMRR-SOUVJXGZSA-N 2 2 352.435 -1.803 20 0 FAADLP O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658784156 483734946 /nfs/dbraw/zinc/73/49/46/483734946.db2.gz BYUVWEXPECQMRR-SOUVJXGZSA-N 2 2 352.435 -1.803 20 0 FAADLP CCN(C(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)[C@@H]1CC[N@@H+](C)C1 ZINC000658803965 483695516 /nfs/dbraw/zinc/69/55/16/483695516.db2.gz UOHVWKYTOYBGKD-CABCVRRESA-N 2 2 356.467 -1.310 20 0 FAADLP CCN(C(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)[C@@H]1CC[N@H+](C)C1 ZINC000658803965 483695513 /nfs/dbraw/zinc/69/55/13/483695513.db2.gz UOHVWKYTOYBGKD-CABCVRRESA-N 2 2 356.467 -1.310 20 0 FAADLP CCN(C(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)[C@H]1CC[N@@H+](C)C1 ZINC000658803966 483695626 /nfs/dbraw/zinc/69/56/26/483695626.db2.gz UOHVWKYTOYBGKD-GJZGRUSLSA-N 2 2 356.467 -1.310 20 0 FAADLP CCN(C(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)[C@H]1CC[N@H+](C)C1 ZINC000658803966 483695624 /nfs/dbraw/zinc/69/56/24/483695624.db2.gz UOHVWKYTOYBGKD-GJZGRUSLSA-N 2 2 356.467 -1.310 20 0 FAADLP CCN(C(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)[C@@H]1CC[N@@H+](C)C1 ZINC000658803967 483695631 /nfs/dbraw/zinc/69/56/31/483695631.db2.gz UOHVWKYTOYBGKD-HUUCEWRRSA-N 2 2 356.467 -1.310 20 0 FAADLP CCN(C(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)[C@@H]1CC[N@H+](C)C1 ZINC000658803967 483695630 /nfs/dbraw/zinc/69/56/30/483695630.db2.gz UOHVWKYTOYBGKD-HUUCEWRRSA-N 2 2 356.467 -1.310 20 0 FAADLP CCN(C(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)[C@H]1CC[N@@H+](C)C1 ZINC000658803968 483695750 /nfs/dbraw/zinc/69/57/50/483695750.db2.gz UOHVWKYTOYBGKD-LSDHHAIUSA-N 2 2 356.467 -1.310 20 0 FAADLP CCN(C(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)[C@H]1CC[N@H+](C)C1 ZINC000658803968 483695746 /nfs/dbraw/zinc/69/57/46/483695746.db2.gz UOHVWKYTOYBGKD-LSDHHAIUSA-N 2 2 356.467 -1.310 20 0 FAADLP CC1(C)CN(C(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC[N@H+]1CCO ZINC000658849753 483735687 /nfs/dbraw/zinc/73/56/87/483735687.db2.gz NPOUVABXCGEQBW-HNNXBMFYSA-N 2 2 368.478 -1.165 20 0 FAADLP CC1(C)CN(C(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC[N@@H+]1CCO ZINC000658849753 483735684 /nfs/dbraw/zinc/73/56/84/483735684.db2.gz NPOUVABXCGEQBW-HNNXBMFYSA-N 2 2 368.478 -1.165 20 0 FAADLP CC1(C)CN(C(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC[N@H+]1CCO ZINC000658849755 483735889 /nfs/dbraw/zinc/73/58/89/483735889.db2.gz NPOUVABXCGEQBW-OAHLLOKOSA-N 2 2 368.478 -1.165 20 0 FAADLP CC1(C)CN(C(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC[N@@H+]1CCO ZINC000658849755 483735888 /nfs/dbraw/zinc/73/58/88/483735888.db2.gz NPOUVABXCGEQBW-OAHLLOKOSA-N 2 2 368.478 -1.165 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C[C@H](C)[N@@H+]1CCO ZINC000658849757 483735575 /nfs/dbraw/zinc/73/55/75/483735575.db2.gz NQTAUUXPDRACGO-OWCLPIDISA-N 2 2 368.478 -1.167 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C[C@H](C)[N@H+]1CCO ZINC000658849757 483735573 /nfs/dbraw/zinc/73/55/73/483735573.db2.gz NQTAUUXPDRACGO-OWCLPIDISA-N 2 2 368.478 -1.167 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C[C@H](C)[N@@H+]1CCO ZINC000658849758 483735529 /nfs/dbraw/zinc/73/55/29/483735529.db2.gz NQTAUUXPDRACGO-XHSDSOJGSA-N 2 2 368.478 -1.167 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C[C@H](C)[N@H+]1CCO ZINC000658849758 483735526 /nfs/dbraw/zinc/73/55/26/483735526.db2.gz NQTAUUXPDRACGO-XHSDSOJGSA-N 2 2 368.478 -1.167 20 0 FAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000658903972 483736123 /nfs/dbraw/zinc/73/61/23/483736123.db2.gz PSIFBBLTTILCOS-GOEBONIOSA-N 2 2 368.478 -1.431 20 0 FAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000658903972 483736119 /nfs/dbraw/zinc/73/61/19/483736119.db2.gz PSIFBBLTTILCOS-GOEBONIOSA-N 2 2 368.478 -1.431 20 0 FAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000658903973 483736281 /nfs/dbraw/zinc/73/62/81/483736281.db2.gz PSIFBBLTTILCOS-HOCLYGCPSA-N 2 2 368.478 -1.431 20 0 FAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000658903973 483736279 /nfs/dbraw/zinc/73/62/79/483736279.db2.gz PSIFBBLTTILCOS-HOCLYGCPSA-N 2 2 368.478 -1.431 20 0 FAADLP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N2CCn3cc[nH+]c3C2)CC1 ZINC000659226978 483736461 /nfs/dbraw/zinc/73/64/61/483736461.db2.gz CBSLLFWIMPWHOY-UHFFFAOYSA-N 2 2 374.445 -1.008 20 0 FAADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCn3cc[nH+]c3C2)CC1 ZINC000659227099 483736268 /nfs/dbraw/zinc/73/62/68/483736268.db2.gz DKZAFCGDXKFISN-AWEZNQCLSA-N 2 2 374.445 -1.010 20 0 FAADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCn3cc[nH+]c3C2)CC1 ZINC000659227099 483736264 /nfs/dbraw/zinc/73/62/64/483736264.db2.gz DKZAFCGDXKFISN-AWEZNQCLSA-N 2 2 374.445 -1.010 20 0 FAADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCn3cc[nH+]c3C2)CC1 ZINC000659227101 483736380 /nfs/dbraw/zinc/73/63/80/483736380.db2.gz DKZAFCGDXKFISN-CQSZACIVSA-N 2 2 374.445 -1.010 20 0 FAADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCn3cc[nH+]c3C2)CC1 ZINC000659227101 483736376 /nfs/dbraw/zinc/73/63/76/483736376.db2.gz DKZAFCGDXKFISN-CQSZACIVSA-N 2 2 374.445 -1.010 20 0 FAADLP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CC1 ZINC000659244281 483736238 /nfs/dbraw/zinc/73/62/38/483736238.db2.gz SGSVDRWQDQCFJB-UHFFFAOYSA-N 2 2 370.494 -1.183 20 0 FAADLP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC1 ZINC000659244281 483736236 /nfs/dbraw/zinc/73/62/36/483736236.db2.gz SGSVDRWQDQCFJB-UHFFFAOYSA-N 2 2 370.494 -1.183 20 0 FAADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000659318423 483736148 /nfs/dbraw/zinc/73/61/48/483736148.db2.gz AMPRCTPDBGDYOK-UHFFFAOYSA-N 3 2 371.526 -1.147 20 0 FAADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000659318423 483736145 /nfs/dbraw/zinc/73/61/45/483736145.db2.gz AMPRCTPDBGDYOK-UHFFFAOYSA-N 3 2 371.526 -1.147 20 0 FAADLP C[C@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC(=O)N1 ZINC000659345020 483736183 /nfs/dbraw/zinc/73/61/83/483736183.db2.gz QGOZWMKJOGCEFS-DZGCQCFKSA-N 2 2 365.478 -1.040 20 0 FAADLP C[C@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC(=O)N1 ZINC000659345020 483736181 /nfs/dbraw/zinc/73/61/81/483736181.db2.gz QGOZWMKJOGCEFS-DZGCQCFKSA-N 2 2 365.478 -1.040 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC(=O)N1 ZINC000659345021 483736305 /nfs/dbraw/zinc/73/63/05/483736305.db2.gz QGOZWMKJOGCEFS-HIFRSBDPSA-N 2 2 365.478 -1.040 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC(=O)N1 ZINC000659345021 483736302 /nfs/dbraw/zinc/73/63/02/483736302.db2.gz QGOZWMKJOGCEFS-HIFRSBDPSA-N 2 2 365.478 -1.040 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC(=O)N1 ZINC000659345022 483736873 /nfs/dbraw/zinc/73/68/73/483736873.db2.gz QGOZWMKJOGCEFS-UKRRQHHQSA-N 2 2 365.478 -1.040 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC(=O)N1 ZINC000659345022 483736870 /nfs/dbraw/zinc/73/68/70/483736870.db2.gz QGOZWMKJOGCEFS-UKRRQHHQSA-N 2 2 365.478 -1.040 20 0 FAADLP C[C@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC(=O)N1 ZINC000659345023 483736771 /nfs/dbraw/zinc/73/67/71/483736771.db2.gz QGOZWMKJOGCEFS-ZFWWWQNUSA-N 2 2 365.478 -1.040 20 0 FAADLP C[C@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC(=O)N1 ZINC000659345023 483736768 /nfs/dbraw/zinc/73/67/68/483736768.db2.gz QGOZWMKJOGCEFS-ZFWWWQNUSA-N 2 2 365.478 -1.040 20 0 FAADLP CN(C(=O)C(=O)N1CCN(C)C(=O)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659345070 483736731 /nfs/dbraw/zinc/73/67/31/483736731.db2.gz WSQREJCDEFADQZ-HNNXBMFYSA-N 2 2 365.478 -1.086 20 0 FAADLP CN(C(=O)C(=O)N1CCN(C)C(=O)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659345070 483736728 /nfs/dbraw/zinc/73/67/28/483736728.db2.gz WSQREJCDEFADQZ-HNNXBMFYSA-N 2 2 365.478 -1.086 20 0 FAADLP CN(C(=O)C(=O)N1CCN(C)C(=O)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659345071 483737401 /nfs/dbraw/zinc/73/74/01/483737401.db2.gz WSQREJCDEFADQZ-OAHLLOKOSA-N 2 2 365.478 -1.086 20 0 FAADLP CN(C(=O)C(=O)N1CCN(C)C(=O)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659345071 483737398 /nfs/dbraw/zinc/73/73/98/483737398.db2.gz WSQREJCDEFADQZ-OAHLLOKOSA-N 2 2 365.478 -1.086 20 0 FAADLP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000659376369 483736782 /nfs/dbraw/zinc/73/67/82/483736782.db2.gz BLZXJONEKQIHEH-UHFFFAOYSA-N 2 2 358.483 -1.062 20 0 FAADLP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000659376369 483736780 /nfs/dbraw/zinc/73/67/80/483736780.db2.gz BLZXJONEKQIHEH-UHFFFAOYSA-N 2 2 358.483 -1.062 20 0 FAADLP C[NH2+]C[C@@H](C)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000659640724 483737740 /nfs/dbraw/zinc/73/77/40/483737740.db2.gz XWZIPWQSFFAABI-CYBMUJFWSA-N 2 2 362.500 -1.586 20 0 FAADLP C[NH2+]C[C@H](C)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000659640726 483738101 /nfs/dbraw/zinc/73/81/01/483738101.db2.gz XWZIPWQSFFAABI-ZDUSSCGKSA-N 2 2 362.500 -1.586 20 0 FAADLP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1=O ZINC000659676597 483738961 /nfs/dbraw/zinc/73/89/61/483738961.db2.gz DEZKCEFKWVVNKI-XYEKJYRLSA-N 2 2 374.445 -1.105 20 0 FAADLP Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1=O ZINC000659676598 483739009 /nfs/dbraw/zinc/73/90/09/483739009.db2.gz DEZKCEFKWVVNKI-YNAXMUEKSA-N 2 2 374.445 -1.105 20 0 FAADLP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)C1=O ZINC000659676999 483738769 /nfs/dbraw/zinc/73/87/69/483738769.db2.gz JGACQEQOBCDRPK-XYEKJYRLSA-N 2 2 374.445 -1.023 20 0 FAADLP Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)C1=O ZINC000659677000 483738801 /nfs/dbraw/zinc/73/88/01/483738801.db2.gz JGACQEQOBCDRPK-YNAXMUEKSA-N 2 2 374.445 -1.023 20 0 FAADLP [NH3+][C@@H]1CN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC[C@H]1F ZINC000659681220 483738781 /nfs/dbraw/zinc/73/87/81/483738781.db2.gz DGVILHPYRNFVOB-ZIAGYGMSSA-N 2 2 372.441 -1.118 20 0 FAADLP O=C(NCC12CC(C1)C[NH2+]2)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000659681339 483738984 /nfs/dbraw/zinc/73/89/84/483738984.db2.gz FWRVYGYMSWRXQI-UHFFFAOYSA-N 2 2 366.462 -1.148 20 0 FAADLP [NH3+]CC12CC(C1)CN2C(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000659681661 483738815 /nfs/dbraw/zinc/73/88/15/483738815.db2.gz LQXWIQHXIFGGJB-UHFFFAOYSA-N 2 2 366.462 -1.066 20 0 FAADLP O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659710932 483739261 /nfs/dbraw/zinc/73/92/61/483739261.db2.gz UAXUQBLSGVLHMA-HNNXBMFYSA-N 2 2 353.467 -1.669 20 0 FAADLP O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659710934 483739300 /nfs/dbraw/zinc/73/93/00/483739300.db2.gz UAXUQBLSGVLHMA-OAHLLOKOSA-N 2 2 353.467 -1.669 20 0 FAADLP O=C(CNC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)N1CC[NH2+]CC1 ZINC000659715175 483739924 /nfs/dbraw/zinc/73/99/24/483739924.db2.gz OSUVGXVPODMVFG-CYBMUJFWSA-N 2 2 353.423 -2.533 20 0 FAADLP O=C(CNC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)N1CC[NH2+]CC1 ZINC000659715176 483739847 /nfs/dbraw/zinc/73/98/47/483739847.db2.gz OSUVGXVPODMVFG-ZDUSSCGKSA-N 2 2 353.423 -2.533 20 0 FAADLP O=C(CNC(=O)C(=O)NCc1ccc[nH+]c1N1CCCC1)N1CC[NH2+]CC1 ZINC000659716325 483739954 /nfs/dbraw/zinc/73/99/54/483739954.db2.gz YXMVXJBCISENPL-UHFFFAOYSA-N 2 2 374.445 -1.154 20 0 FAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659740375 483740499 /nfs/dbraw/zinc/74/04/99/483740499.db2.gz MKQIVOMDFQOLSQ-UHFFFAOYSA-N 2 2 354.451 -1.338 20 0 FAADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659742048 483741076 /nfs/dbraw/zinc/74/10/76/483741076.db2.gz OMNASDQREIWFTA-UHFFFAOYSA-N 2 2 354.451 -1.340 20 0 FAADLP CCOCC[NH+]1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659747390 483740989 /nfs/dbraw/zinc/74/09/89/483740989.db2.gz DGDCASONSUTEQF-UHFFFAOYSA-N 2 2 366.422 -1.562 20 0 FAADLP COCC[NH+]1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659748080 483741287 /nfs/dbraw/zinc/74/12/87/483741287.db2.gz OLROEEDAUDOPCU-UHFFFAOYSA-N 2 2 352.395 -1.952 20 0 FAADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000659749337 483740971 /nfs/dbraw/zinc/74/09/71/483740971.db2.gz GWKYLTZJCGQSMG-LLVKDONJSA-N 2 2 360.422 -1.264 20 0 FAADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000659749342 483741301 /nfs/dbraw/zinc/74/13/01/483741301.db2.gz GWKYLTZJCGQSMG-NSHDSACASA-N 2 2 360.422 -1.264 20 0 FAADLP COC[C@H](C[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)OC ZINC000659839512 483387474 /nfs/dbraw/zinc/38/74/74/483387474.db2.gz WRVCWBUFKMZKKV-AWEZNQCLSA-N 2 2 350.485 -1.242 20 0 FAADLP COC[C@@H](C[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)OC ZINC000659839513 483387822 /nfs/dbraw/zinc/38/78/22/483387822.db2.gz WRVCWBUFKMZKKV-CQSZACIVSA-N 2 2 350.485 -1.242 20 0 FAADLP O=C(C(=O)N1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1)N1CCOCC1 ZINC000662248493 483745766 /nfs/dbraw/zinc/74/57/66/483745766.db2.gz DFWZQGUVTYJYFO-AWEZNQCLSA-N 2 2 352.435 -1.490 20 0 FAADLP O=C(C(=O)N1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1)N1CCOCC1 ZINC000662248494 483745157 /nfs/dbraw/zinc/74/51/57/483745157.db2.gz DFWZQGUVTYJYFO-CQSZACIVSA-N 2 2 352.435 -1.490 20 0 FAADLP C[NH+]1CCN(S(=O)(=O)N2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)CC1 ZINC000662252487 483745584 /nfs/dbraw/zinc/74/55/84/483745584.db2.gz OSPFSKIYNDASAK-HNNXBMFYSA-N 3 2 373.523 -1.383 20 0 FAADLP CN1CCN(S(=O)(=O)N2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)CC1 ZINC000662252487 483745579 /nfs/dbraw/zinc/74/55/79/483745579.db2.gz OSPFSKIYNDASAK-HNNXBMFYSA-N 2 2 373.523 -1.383 20 0 FAADLP C[NH+]1CCN(S(=O)(=O)N2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)CC1 ZINC000662252492 483745810 /nfs/dbraw/zinc/74/58/10/483745810.db2.gz OSPFSKIYNDASAK-OAHLLOKOSA-N 3 2 373.523 -1.383 20 0 FAADLP CN1CCN(S(=O)(=O)N2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)CC1 ZINC000662252492 483745806 /nfs/dbraw/zinc/74/58/06/483745806.db2.gz OSPFSKIYNDASAK-OAHLLOKOSA-N 2 2 373.523 -1.383 20 0 FAADLP O=C(CN1C(=O)CCC1=O)N1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662276804 483745822 /nfs/dbraw/zinc/74/58/22/483745822.db2.gz MOLBPCLMSJHSQF-CYBMUJFWSA-N 2 2 350.419 -1.199 20 0 FAADLP O=C(CN1C(=O)CCC1=O)N1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662276805 483745302 /nfs/dbraw/zinc/74/53/02/483745302.db2.gz MOLBPCLMSJHSQF-ZDUSSCGKSA-N 2 2 350.419 -1.199 20 0 FAADLP CC(C)(C)NC(=O)CN1CCN(C(=O)C[NH2+]C2(CO)CC[NH2+]CC2)CC1 ZINC000662285962 483745257 /nfs/dbraw/zinc/74/52/57/483745257.db2.gz CECAUYUTGBQUNJ-UHFFFAOYSA-N 2 2 369.510 -1.251 20 0 FAADLP CC(C)N(CCCNC(=O)C[NH2+]C1(CO)CC[NH2+]CC1)S(C)(=O)=O ZINC000662287238 483745364 /nfs/dbraw/zinc/74/53/64/483745364.db2.gz WDVHMEGELLLCSM-UHFFFAOYSA-N 2 2 364.512 -1.133 20 0 FAADLP Cn1cnc2c1c(=O)n(CCC[N@@H+](CC[NH3+])C[C@@H](O)CO)c(=O)n2C ZINC000662287513 483745488 /nfs/dbraw/zinc/74/54/88/483745488.db2.gz BMPWKOOQIZGIDD-LLVKDONJSA-N 2 2 354.411 -2.562 20 0 FAADLP Cn1cnc2c1c(=O)n(CCC[N@H+](CC[NH3+])C[C@@H](O)CO)c(=O)n2C ZINC000662287513 483745484 /nfs/dbraw/zinc/74/54/84/483745484.db2.gz BMPWKOOQIZGIDD-LLVKDONJSA-N 2 2 354.411 -2.562 20 0 FAADLP Cn1cnc2c1c(=O)n(CCC[N@@H+](CC[NH3+])C[C@H](O)CO)c(=O)n2C ZINC000662287514 483745790 /nfs/dbraw/zinc/74/57/90/483745790.db2.gz BMPWKOOQIZGIDD-NSHDSACASA-N 2 2 354.411 -2.562 20 0 FAADLP Cn1cnc2c1c(=O)n(CCC[N@H+](CC[NH3+])C[C@H](O)CO)c(=O)n2C ZINC000662287514 483745787 /nfs/dbraw/zinc/74/57/87/483745787.db2.gz BMPWKOOQIZGIDD-NSHDSACASA-N 2 2 354.411 -2.562 20 0 FAADLP [NH3+]CC[N@@H+](CCC(=O)N1CCN(c2ncccn2)CC1)C[C@H](O)CO ZINC000662287559 483745613 /nfs/dbraw/zinc/74/56/13/483745613.db2.gz CPGMBTZMJMALFX-AWEZNQCLSA-N 2 2 352.439 -1.871 20 0 FAADLP [NH3+]CC[N@H+](CCC(=O)N1CCN(c2ncccn2)CC1)C[C@H](O)CO ZINC000662287559 483745610 /nfs/dbraw/zinc/74/56/10/483745610.db2.gz CPGMBTZMJMALFX-AWEZNQCLSA-N 2 2 352.439 -1.871 20 0 FAADLP [NH3+]CC[N@@H+](CCC(=O)N1CCN(c2ncccn2)CC1)C[C@@H](O)CO ZINC000662287560 483745655 /nfs/dbraw/zinc/74/56/55/483745655.db2.gz CPGMBTZMJMALFX-CQSZACIVSA-N 2 2 352.439 -1.871 20 0 FAADLP [NH3+]CC[N@H+](CCC(=O)N1CCN(c2ncccn2)CC1)C[C@@H](O)CO ZINC000662287560 483745649 /nfs/dbraw/zinc/74/56/49/483745649.db2.gz CPGMBTZMJMALFX-CQSZACIVSA-N 2 2 352.439 -1.871 20 0 FAADLP [NH3+]CCN(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C[C@H](O)CO ZINC000662288627 483745330 /nfs/dbraw/zinc/74/53/30/483745330.db2.gz RXHVOFUQCYZKIF-HNNXBMFYSA-N 2 2 351.451 -1.266 20 0 FAADLP [NH3+]CCN(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C[C@@H](O)CO ZINC000662288628 483745273 /nfs/dbraw/zinc/74/52/73/483745273.db2.gz RXHVOFUQCYZKIF-OAHLLOKOSA-N 2 2 351.451 -1.266 20 0 FAADLP NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+](CC[NH3+])C[C@@H](O)CO)c1 ZINC000662289121 483745747 /nfs/dbraw/zinc/74/57/47/483745747.db2.gz ORKUZNFCZKAERL-GFCCVEGCSA-N 2 2 360.436 -1.724 20 0 FAADLP NS(=O)(=O)c1cccc(NC(=O)CC[N@H+](CC[NH3+])C[C@@H](O)CO)c1 ZINC000662289121 483745745 /nfs/dbraw/zinc/74/57/45/483745745.db2.gz ORKUZNFCZKAERL-GFCCVEGCSA-N 2 2 360.436 -1.724 20 0 FAADLP NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+](CC[NH3+])C[C@H](O)CO)c1 ZINC000662289122 483745317 /nfs/dbraw/zinc/74/53/17/483745317.db2.gz ORKUZNFCZKAERL-LBPRGKRZSA-N 2 2 360.436 -1.724 20 0 FAADLP NS(=O)(=O)c1cccc(NC(=O)CC[N@H+](CC[NH3+])C[C@H](O)CO)c1 ZINC000662289122 483745314 /nfs/dbraw/zinc/74/53/14/483745314.db2.gz ORKUZNFCZKAERL-LBPRGKRZSA-N 2 2 360.436 -1.724 20 0 FAADLP O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C1(O)C[NH2+]C1 ZINC000662681624 483746482 /nfs/dbraw/zinc/74/64/82/483746482.db2.gz KIMJMBATIUWARF-UHFFFAOYSA-N 2 2 369.447 -2.016 20 0 FAADLP C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)C3(O)C[NH2+]C3)c2)CC1 ZINC000662701640 483746045 /nfs/dbraw/zinc/74/60/45/483746045.db2.gz CPRJNTRNNSKTFD-UHFFFAOYSA-N 2 2 354.432 -1.105 20 0 FAADLP COc1ccc(C(=O)NCC[NH+]2CCN(C(=O)C3(O)C[NH2+]C3)CC2)cc1 ZINC000662727340 483745954 /nfs/dbraw/zinc/74/59/54/483745954.db2.gz VGGTXFYNOQTVDY-UHFFFAOYSA-N 2 2 362.430 -1.097 20 0 FAADLP C[NH+]1CCN(S(=O)(=O)c2ccccc2CNC(=O)C2(O)C[NH2+]C2)CC1 ZINC000662738668 483746001 /nfs/dbraw/zinc/74/60/01/483746001.db2.gz YFMDGDGNOQIKLU-UHFFFAOYSA-N 2 2 368.459 -1.427 20 0 FAADLP O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1(O)C[NH2+]C1 ZINC000662789713 483746653 /nfs/dbraw/zinc/74/66/53/483746653.db2.gz CQFVIRKFVLUJFD-CYBMUJFWSA-N 2 2 362.434 -1.268 20 0 FAADLP O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C1(O)C[NH2+]C1 ZINC000662789713 483746652 /nfs/dbraw/zinc/74/66/52/483746652.db2.gz CQFVIRKFVLUJFD-CYBMUJFWSA-N 2 2 362.434 -1.268 20 0 FAADLP O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1(O)C[NH2+]C1 ZINC000662789714 483746516 /nfs/dbraw/zinc/74/65/16/483746516.db2.gz CQFVIRKFVLUJFD-ZDUSSCGKSA-N 2 2 362.434 -1.268 20 0 FAADLP O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C1(O)C[NH2+]C1 ZINC000662789714 483746512 /nfs/dbraw/zinc/74/65/12/483746512.db2.gz CQFVIRKFVLUJFD-ZDUSSCGKSA-N 2 2 362.434 -1.268 20 0 FAADLP CN(C(=O)C1(O)C[NH2+]C1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000662792500 483746615 /nfs/dbraw/zinc/74/66/15/483746615.db2.gz WARYNAZRAPQZJT-UHFFFAOYSA-N 2 2 353.467 -1.983 20 0 FAADLP CN(C(=O)C1(O)C[NH2+]C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000662792500 483746612 /nfs/dbraw/zinc/74/66/12/483746612.db2.gz WARYNAZRAPQZJT-UHFFFAOYSA-N 3 2 353.467 -1.983 20 0 FAADLP CN(CCC[NH3+])C(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000662921746 483747999 /nfs/dbraw/zinc/74/79/99/483747999.db2.gz NVBMTGGAVZTDGO-UHFFFAOYSA-N 2 2 360.422 -1.181 20 0 FAADLP Cn1cc[nH+]c1CN1CCN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000662931189 483747935 /nfs/dbraw/zinc/74/79/35/483747935.db2.gz AKAKNYUXLCXQLF-CHWSQXEVSA-N 2 2 352.414 -1.038 20 0 FAADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000662938879 483748181 /nfs/dbraw/zinc/74/81/81/483748181.db2.gz JJBUBPNFDGWKAR-CHWSQXEVSA-N 2 2 357.430 -1.493 20 0 FAADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000662946077 483748560 /nfs/dbraw/zinc/74/85/60/483748560.db2.gz NGIAYPJQLHKVRF-UHFFFAOYSA-N 2 2 354.451 -1.258 20 0 FAADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000662946170 483748680 /nfs/dbraw/zinc/74/86/80/483748680.db2.gz OSANHOFAUOHWLQ-ZIAGYGMSSA-N 2 2 360.430 -1.310 20 0 FAADLP CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000662947194 483748579 /nfs/dbraw/zinc/74/85/79/483748579.db2.gz JEQXUFVBIVWLNZ-UHFFFAOYSA-N 2 2 370.435 -2.186 20 0 FAADLP CCO[C@@H]1CN(C(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C[C@H]1C[NH3+] ZINC000662962777 483749092 /nfs/dbraw/zinc/74/90/92/483749092.db2.gz JBHRKTLEDBCQBG-QLFBSQMISA-N 2 2 354.451 -1.258 20 0 FAADLP CCO[C@@H]1CN(C(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C[C@H]1C[NH3+] ZINC000662962778 483749217 /nfs/dbraw/zinc/74/92/17/483749217.db2.gz JBHRKTLEDBCQBG-RBSFLKMASA-N 2 2 354.451 -1.258 20 0 FAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000662964921 483749515 /nfs/dbraw/zinc/74/95/15/483749515.db2.gz GPDNKVJWOVHPLL-ZIAGYGMSSA-N 2 2 360.430 -1.309 20 0 FAADLP COCCOCC[NH+]1CCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000662966657 483749340 /nfs/dbraw/zinc/74/93/40/483749340.db2.gz UDDQSEZCCRXWNY-UHFFFAOYSA-N 2 2 354.451 -1.257 20 0 FAADLP O=C(C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000662973237 483749136 /nfs/dbraw/zinc/74/91/36/483749136.db2.gz QKHUHPDGPANXCP-CVEARBPZSA-N 2 2 365.478 -1.574 20 0 FAADLP O=C(C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000662973238 483749400 /nfs/dbraw/zinc/74/94/00/483749400.db2.gz QKHUHPDGPANXCP-HOTGVXAUSA-N 2 2 365.478 -1.574 20 0 FAADLP O=C(C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000662973239 483749165 /nfs/dbraw/zinc/74/91/65/483749165.db2.gz QKHUHPDGPANXCP-HZPDHXFCSA-N 2 2 365.478 -1.574 20 0 FAADLP O=C(C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000662973444 483749294 /nfs/dbraw/zinc/74/92/94/483749294.db2.gz QKHUHPDGPANXCP-JKSUJKDBSA-N 2 2 365.478 -1.574 20 0 FAADLP O=C(C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000662973880 483749406 /nfs/dbraw/zinc/74/94/06/483749406.db2.gz XPNAQDJRDUZUOR-CVEARBPZSA-N 2 2 365.478 -1.574 20 0 FAADLP O=C(C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000662973881 483749097 /nfs/dbraw/zinc/74/90/97/483749097.db2.gz XPNAQDJRDUZUOR-HOTGVXAUSA-N 2 2 365.478 -1.574 20 0 FAADLP O=C(C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000662973882 483749095 /nfs/dbraw/zinc/74/90/95/483749095.db2.gz XPNAQDJRDUZUOR-HZPDHXFCSA-N 2 2 365.478 -1.574 20 0 FAADLP O=C(C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000662973883 483749109 /nfs/dbraw/zinc/74/91/09/483749109.db2.gz XPNAQDJRDUZUOR-JKSUJKDBSA-N 2 2 365.478 -1.574 20 0 FAADLP C[C@@H]1CCN(C(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)[C@H](C[NH3+])C1 ZINC000662983984 483749272 /nfs/dbraw/zinc/74/92/72/483749272.db2.gz HLZMFVBPZGMGAR-ILXRZTDVSA-N 2 2 356.467 -1.276 20 0 FAADLP C[C@@H]1CCN(C(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)[C@H](C[NH3+])C1 ZINC000662983985 483749089 /nfs/dbraw/zinc/74/90/89/483749089.db2.gz HLZMFVBPZGMGAR-QLFBSQMISA-N 2 2 356.467 -1.276 20 0 FAADLP O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCOC2(C[NH2+]C2)C1 ZINC000664725699 483752693 /nfs/dbraw/zinc/75/26/93/483752693.db2.gz SAMQIHSYYQWWHV-AWEZNQCLSA-N 2 2 352.435 -1.632 20 0 FAADLP O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCOC2(C[NH2+]C2)C1 ZINC000664725700 483752832 /nfs/dbraw/zinc/75/28/32/483752832.db2.gz SAMQIHSYYQWWHV-CQSZACIVSA-N 2 2 352.435 -1.632 20 0 FAADLP CC(C[NH+]1CC[C@@H]2OCC(=O)N[C@H]2C1)C[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000664779722 483752786 /nfs/dbraw/zinc/75/27/86/483752786.db2.gz VBZYLNLHMMGGQN-VGWMRTNUSA-N 2 2 366.462 -1.199 20 0 FAADLP CC(C[NH+]1CC[C@@H]2OCC(=O)N[C@H]2C1)C[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000664779722 483752785 /nfs/dbraw/zinc/75/27/85/483752785.db2.gz VBZYLNLHMMGGQN-VGWMRTNUSA-N 2 2 366.462 -1.199 20 0 FAADLP CN(C)S(=O)(=O)NCCNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000665005462 483753162 /nfs/dbraw/zinc/75/31/62/483753162.db2.gz JHSKDXHPYUXZMR-UHFFFAOYSA-N 2 2 352.505 -1.435 20 0 FAADLP CN(C)S(=O)(=O)NCCNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000665005462 483753161 /nfs/dbraw/zinc/75/31/61/483753161.db2.gz JHSKDXHPYUXZMR-UHFFFAOYSA-N 2 2 352.505 -1.435 20 0 FAADLP CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000666107559 483722746 /nfs/dbraw/zinc/72/27/46/483722746.db2.gz KNPGUXAUOWJQSN-CHWSQXEVSA-N 2 2 350.485 -1.067 20 0 FAADLP CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C 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MELLFAXEEYJCHN-HNNXBMFYSA-N 2 2 354.451 -1.242 20 0 FAADLP O=C(NCCC[NH+]1CCOCC1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668332429 482552497 /nfs/dbraw/zinc/55/24/97/482552497.db2.gz MELLFAXEEYJCHN-OAHLLOKOSA-N 2 2 354.451 -1.242 20 0 FAADLP CN(C(=O)[C@@H]1CC(=O)N1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000668370725 482554005 /nfs/dbraw/zinc/55/40/05/482554005.db2.gz BDZINIPJJZZRPA-AWEZNQCLSA-N 2 2 351.451 -1.428 20 0 FAADLP CN(C(=O)[C@H]1CC(=O)N1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000668370726 482554042 /nfs/dbraw/zinc/55/40/42/482554042.db2.gz BDZINIPJJZZRPA-CQSZACIVSA-N 2 2 351.451 -1.428 20 0 FAADLP CN(C(=O)[C@H]1CCNC1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000668371001 482554143 /nfs/dbraw/zinc/55/41/43/482554143.db2.gz HPRSLDQAAWGIBM-HNNXBMFYSA-N 2 2 365.478 -1.181 20 0 FAADLP CN(C(=O)[C@@H]1CCNC1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000668371002 482553398 /nfs/dbraw/zinc/55/33/98/482553398.db2.gz HPRSLDQAAWGIBM-OAHLLOKOSA-N 2 2 365.478 -1.181 20 0 FAADLP 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483151871 /nfs/dbraw/zinc/15/18/71/483151871.db2.gz QSKBMPHMYPCRDE-HNNXBMFYSA-N 2 2 365.478 -1.037 20 0 FAADLP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CC1 ZINC000670967737 483152506 /nfs/dbraw/zinc/15/25/06/483152506.db2.gz QSKBMPHMYPCRDE-OAHLLOKOSA-N 2 2 365.478 -1.037 20 0 FAADLP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000670967737 483152497 /nfs/dbraw/zinc/15/24/97/483152497.db2.gz QSKBMPHMYPCRDE-OAHLLOKOSA-N 2 2 365.478 -1.037 20 0 FAADLP C[C@H](NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000670967740 483152382 /nfs/dbraw/zinc/15/23/82/483152382.db2.gz RNFGDEOZSHIBLO-KBPBESRZSA-N 2 2 369.466 -1.898 20 0 FAADLP C[C@H](NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000670967740 483152376 /nfs/dbraw/zinc/15/23/76/483152376.db2.gz RNFGDEOZSHIBLO-KBPBESRZSA-N 2 2 369.466 -1.898 20 0 FAADLP C[C@@H](NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000670967741 483152027 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C[C@H](CO)N(C[C@H](C)O)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638409 483787085 /nfs/dbraw/zinc/78/70/85/483787085.db2.gz SEYHSGIBVWJUOW-QLFBSQMISA-N 2 2 370.494 -1.139 20 0 FAADLP C[C@H](CO)N(C[C@H](C)O)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638409 483787081 /nfs/dbraw/zinc/78/70/81/483787081.db2.gz SEYHSGIBVWJUOW-QLFBSQMISA-N 2 2 370.494 -1.139 20 0 FAADLP C[C@H](O)CN(C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H](C)CO ZINC000672638410 483786531 /nfs/dbraw/zinc/78/65/31/483786531.db2.gz SEYHSGIBVWJUOW-SOUVJXGZSA-N 2 2 370.494 -1.139 20 0 FAADLP C[C@H](O)CN(C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H](C)CO ZINC000672638410 483786529 /nfs/dbraw/zinc/78/65/29/483786529.db2.gz SEYHSGIBVWJUOW-SOUVJXGZSA-N 2 2 370.494 -1.139 20 0 FAADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@](C)(C(N)=O)C3)C2)CC1 ZINC000672639313 483787360 /nfs/dbraw/zinc/78/73/60/483787360.db2.gz AUWGKLKXOFCMRH-ACJLOTCBSA-N 2 2 365.478 -1.005 20 0 FAADLP 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C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@](C)(C(N)=O)C3)C2)CC1 ZINC000672639320 483787231 /nfs/dbraw/zinc/78/72/31/483787231.db2.gz AUWGKLKXOFCMRH-UGSOOPFHSA-N 2 2 365.478 -1.005 20 0 FAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@](C)(C(N)=O)C3)C2)CC1 ZINC000672639320 483787229 /nfs/dbraw/zinc/78/72/29/483787229.db2.gz AUWGKLKXOFCMRH-UGSOOPFHSA-N 2 2 365.478 -1.005 20 0 FAADLP CN(CCOCCO)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672639496 483788068 /nfs/dbraw/zinc/78/80/68/483788068.db2.gz OHQRMOCBLMHIIW-AWEZNQCLSA-N 2 2 356.467 -1.262 20 0 FAADLP CN(CCOCCO)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672639496 483788067 /nfs/dbraw/zinc/78/80/67/483788067.db2.gz OHQRMOCBLMHIIW-AWEZNQCLSA-N 2 2 356.467 -1.262 20 0 FAADLP CN(CCOCCO)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672639497 483788082 /nfs/dbraw/zinc/78/80/82/483788082.db2.gz OHQRMOCBLMHIIW-CQSZACIVSA-N 2 2 356.467 -1.262 20 0 FAADLP CN(CCOCCO)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 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C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000676098833 483792959 /nfs/dbraw/zinc/79/29/59/483792959.db2.gz WYXMXGAVYWOWOL-ZDUSSCGKSA-N 2 2 352.439 -1.092 20 0 FAADLP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000677893324 483795284 /nfs/dbraw/zinc/79/52/84/483795284.db2.gz XCHHZTXXOXBTDZ-CVEARBPZSA-N 2 2 365.478 -1.574 20 0 FAADLP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000677893324 483795281 /nfs/dbraw/zinc/79/52/81/483795281.db2.gz XCHHZTXXOXBTDZ-CVEARBPZSA-N 2 2 365.478 -1.574 20 0 FAADLP O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000677893325 483795384 /nfs/dbraw/zinc/79/53/84/483795384.db2.gz XCHHZTXXOXBTDZ-HOTGVXAUSA-N 2 2 365.478 -1.574 20 0 FAADLP O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000677893325 483795381 /nfs/dbraw/zinc/79/53/81/483795381.db2.gz XCHHZTXXOXBTDZ-HOTGVXAUSA-N 2 2 365.478 -1.574 20 0 FAADLP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000677893326 483795005 /nfs/dbraw/zinc/79/50/05/483795005.db2.gz XCHHZTXXOXBTDZ-HZPDHXFCSA-N 2 2 365.478 -1.574 20 0 FAADLP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000677893326 483795001 /nfs/dbraw/zinc/79/50/01/483795001.db2.gz XCHHZTXXOXBTDZ-HZPDHXFCSA-N 2 2 365.478 -1.574 20 0 FAADLP O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000677893327 483794950 /nfs/dbraw/zinc/79/49/50/483794950.db2.gz XCHHZTXXOXBTDZ-JKSUJKDBSA-N 2 2 365.478 -1.574 20 0 FAADLP O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000677893327 483794949 /nfs/dbraw/zinc/79/49/49/483794949.db2.gz XCHHZTXXOXBTDZ-JKSUJKDBSA-N 2 2 365.478 -1.574 20 0 FAADLP CS(=O)(=O)N1CCC([NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000678592916 483796383 /nfs/dbraw/zinc/79/63/83/483796383.db2.gz ZNCDNVVSXOWZJX-HNNXBMFYSA-N 2 2 374.507 -1.067 20 0 FAADLP CS(=O)(=O)N1CCC([NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000678592920 483796274 /nfs/dbraw/zinc/79/62/74/483796274.db2.gz ZNCDNVVSXOWZJX-OAHLLOKOSA-N 2 2 374.507 -1.067 20 0 FAADLP CN(CC(=O)NCC(C)(C)[NH+]1CCOCC1)CC(=O)N1CC[NH+](C)CC1 ZINC000679372754 483797106 /nfs/dbraw/zinc/79/71/06/483797106.db2.gz BPYDZWYEJMEPJY-UHFFFAOYSA-N 2 2 369.510 -1.081 20 0 FAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCN3CCNC(=O)C3)C2)CC1 ZINC000679713451 483797399 /nfs/dbraw/zinc/79/73/99/483797399.db2.gz ULOQRSGPXKUUHL-AWEZNQCLSA-N 2 2 352.483 -1.114 20 0 FAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCN3CCNC(=O)C3)C2)CC1 ZINC000679713451 483797398 /nfs/dbraw/zinc/79/73/98/483797398.db2.gz ULOQRSGPXKUUHL-AWEZNQCLSA-N 2 2 352.483 -1.114 20 0 FAADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCN3CCNC(=O)C3)C2)CC1 ZINC000679713454 483797433 /nfs/dbraw/zinc/79/74/33/483797433.db2.gz ULOQRSGPXKUUHL-CQSZACIVSA-N 2 2 352.483 -1.114 20 0 FAADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCN3CCNC(=O)C3)C2)CC1 ZINC000679713454 483797431 /nfs/dbraw/zinc/79/74/31/483797431.db2.gz ULOQRSGPXKUUHL-CQSZACIVSA-N 2 2 352.483 -1.114 20 0 FAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000680525303 483798555 /nfs/dbraw/zinc/79/85/55/483798555.db2.gz QOOGCVMAUADRMY-KKUMJFAQSA-N 2 2 372.466 -1.979 20 0 FAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000680525303 483798552 /nfs/dbraw/zinc/79/85/52/483798552.db2.gz QOOGCVMAUADRMY-KKUMJFAQSA-N 2 2 372.466 -1.979 20 0 FAADLP CC[NH+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000680525303 483798547 /nfs/dbraw/zinc/79/85/47/483798547.db2.gz QOOGCVMAUADRMY-KKUMJFAQSA-N 2 2 372.466 -1.979 20 0 FAADLP CC[NH+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000680525303 483798545 /nfs/dbraw/zinc/79/85/45/483798545.db2.gz QOOGCVMAUADRMY-KKUMJFAQSA-N 2 2 372.466 -1.979 20 0 FAADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000680525308 483798959 /nfs/dbraw/zinc/79/89/59/483798959.db2.gz QOOGCVMAUADRMY-RRFJBIMHSA-N 2 2 372.466 -1.979 20 0 FAADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000680525308 483798957 /nfs/dbraw/zinc/79/89/57/483798957.db2.gz QOOGCVMAUADRMY-RRFJBIMHSA-N 2 2 372.466 -1.979 20 0 FAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000680525308 483798955 /nfs/dbraw/zinc/79/89/55/483798955.db2.gz QOOGCVMAUADRMY-RRFJBIMHSA-N 2 2 372.466 -1.979 20 0 FAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000680525308 483798952 /nfs/dbraw/zinc/79/89/52/483798952.db2.gz QOOGCVMAUADRMY-RRFJBIMHSA-N 2 2 372.466 -1.979 20 0 FAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000680525309 483798576 /nfs/dbraw/zinc/79/85/76/483798576.db2.gz QOOGCVMAUADRMY-SOUVJXGZSA-N 2 2 372.466 -1.979 20 0 FAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000680525309 483798574 /nfs/dbraw/zinc/79/85/74/483798574.db2.gz QOOGCVMAUADRMY-SOUVJXGZSA-N 2 2 372.466 -1.979 20 0 FAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000680525309 483798571 /nfs/dbraw/zinc/79/85/71/483798571.db2.gz QOOGCVMAUADRMY-SOUVJXGZSA-N 2 2 372.466 -1.979 20 0 FAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000680525309 483798569 /nfs/dbraw/zinc/79/85/69/483798569.db2.gz QOOGCVMAUADRMY-SOUVJXGZSA-N 2 2 372.466 -1.979 20 0 FAADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000680525310 483798975 /nfs/dbraw/zinc/79/89/75/483798975.db2.gz QOOGCVMAUADRMY-ZNMIVQPWSA-N 2 2 372.466 -1.979 20 0 FAADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000680525310 483798972 /nfs/dbraw/zinc/79/89/72/483798972.db2.gz QOOGCVMAUADRMY-ZNMIVQPWSA-N 2 2 372.466 -1.979 20 0 FAADLP CC[NH+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000680525310 483798970 /nfs/dbraw/zinc/79/89/70/483798970.db2.gz QOOGCVMAUADRMY-ZNMIVQPWSA-N 2 2 372.466 -1.979 20 0 FAADLP CC[NH+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000680525310 483798968 /nfs/dbraw/zinc/79/89/68/483798968.db2.gz QOOGCVMAUADRMY-ZNMIVQPWSA-N 2 2 372.466 -1.979 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC[N@H+]1CCO ZINC000681733699 483799515 /nfs/dbraw/zinc/79/95/15/483799515.db2.gz DAAAXTALGWRTGY-CYBMUJFWSA-N 2 2 352.439 -1.092 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC[N@@H+]1CCO ZINC000681733699 483799511 /nfs/dbraw/zinc/79/95/11/483799511.db2.gz DAAAXTALGWRTGY-CYBMUJFWSA-N 2 2 352.439 -1.092 20 0 FAADLP C[C@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC[N@H+]1CCO ZINC000681733705 483799411 /nfs/dbraw/zinc/79/94/11/483799411.db2.gz DAAAXTALGWRTGY-ZDUSSCGKSA-N 2 2 352.439 -1.092 20 0 FAADLP C[C@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC[N@@H+]1CCO ZINC000681733705 483799409 /nfs/dbraw/zinc/79/94/09/483799409.db2.gz DAAAXTALGWRTGY-ZDUSSCGKSA-N 2 2 352.439 -1.092 20 0 FAADLP CN(C)C(=O)CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682227270 483800859 /nfs/dbraw/zinc/80/08/59/483800859.db2.gz MLTAGWUIOIXBDK-AWEZNQCLSA-N 2 2 353.467 -1.182 20 0 FAADLP CN(C)C(=O)CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682227270 483800857 /nfs/dbraw/zinc/80/08/57/483800857.db2.gz MLTAGWUIOIXBDK-AWEZNQCLSA-N 2 2 353.467 -1.182 20 0 FAADLP CN(C)C(=O)CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682227271 483800849 /nfs/dbraw/zinc/80/08/49/483800849.db2.gz MLTAGWUIOIXBDK-CQSZACIVSA-N 2 2 353.467 -1.182 20 0 FAADLP CN(C)C(=O)CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682227271 483800847 /nfs/dbraw/zinc/80/08/47/483800847.db2.gz MLTAGWUIOIXBDK-CQSZACIVSA-N 2 2 353.467 -1.182 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CCC[C@H]2NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000683370747 483801920 /nfs/dbraw/zinc/80/19/20/483801920.db2.gz XKCWIAZSUPPNLX-KBXIAJHMSA-N 2 2 354.451 -1.199 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CCC[C@H]2NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000683370747 483801918 /nfs/dbraw/zinc/80/19/18/483801918.db2.gz XKCWIAZSUPPNLX-KBXIAJHMSA-N 2 2 354.451 -1.199 20 0 FAADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CCC[C@H]2NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000683370752 483802022 /nfs/dbraw/zinc/80/20/22/483802022.db2.gz XKCWIAZSUPPNLX-PYHGIMPFSA-N 2 2 354.451 -1.199 20 0 FAADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CCC[C@H]2NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000683370752 483802021 /nfs/dbraw/zinc/80/20/21/483802021.db2.gz XKCWIAZSUPPNLX-PYHGIMPFSA-N 2 2 354.451 -1.199 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CCC[C@@H]2NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000683370752 483802020 /nfs/dbraw/zinc/80/20/20/483802020.db2.gz XKCWIAZSUPPNLX-PYHGIMPFSA-N 2 2 354.451 -1.199 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CCC[C@@H]2NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000683370752 483802018 /nfs/dbraw/zinc/80/20/18/483802018.db2.gz XKCWIAZSUPPNLX-PYHGIMPFSA-N 2 2 354.451 -1.199 20 0 FAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCC[C@H]2NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000683370756 483802014 /nfs/dbraw/zinc/80/20/14/483802014.db2.gz XKCWIAZSUPPNLX-TUVASFSCSA-N 2 2 354.451 -1.199 20 0 FAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCC[C@H]2NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000683370756 483802012 /nfs/dbraw/zinc/80/20/12/483802012.db2.gz XKCWIAZSUPPNLX-TUVASFSCSA-N 2 2 354.451 -1.199 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CCC[C@H]2NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000683370756 483802010 /nfs/dbraw/zinc/80/20/10/483802010.db2.gz XKCWIAZSUPPNLX-TUVASFSCSA-N 2 2 354.451 -1.199 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CCC[C@H]2NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000683370756 483802009 /nfs/dbraw/zinc/80/20/09/483802009.db2.gz XKCWIAZSUPPNLX-TUVASFSCSA-N 2 2 354.451 -1.199 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CCC[C@@H]2NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000683370758 483801596 /nfs/dbraw/zinc/80/15/96/483801596.db2.gz XKCWIAZSUPPNLX-XGUBFFRZSA-N 2 2 354.451 -1.199 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CCC[C@@H]2NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000683370758 483801592 /nfs/dbraw/zinc/80/15/92/483801592.db2.gz XKCWIAZSUPPNLX-XGUBFFRZSA-N 2 2 354.451 -1.199 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2CCC[C@H]2NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000683370758 483801590 /nfs/dbraw/zinc/80/15/90/483801590.db2.gz XKCWIAZSUPPNLX-XGUBFFRZSA-N 2 2 354.451 -1.199 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2CCC[C@H]2NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000683370758 483801588 /nfs/dbraw/zinc/80/15/88/483801588.db2.gz XKCWIAZSUPPNLX-XGUBFFRZSA-N 2 2 354.451 -1.199 20 0 FAADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C[N@H+]1C1CC1 ZINC000685277127 483804521 /nfs/dbraw/zinc/80/45/21/483804521.db2.gz GZSSPUXWKYWMGT-FMKPAKJESA-N 2 2 368.478 -1.121 20 0 FAADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C[N@@H+]1C1CC1 ZINC000685277127 483804518 /nfs/dbraw/zinc/80/45/18/483804518.db2.gz GZSSPUXWKYWMGT-FMKPAKJESA-N 2 2 368.478 -1.121 20 0 FAADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C[N@H+]1C1CC1 ZINC000685277128 483804190 /nfs/dbraw/zinc/80/41/90/483804190.db2.gz GZSSPUXWKYWMGT-IIAWOOMASA-N 2 2 368.478 -1.121 20 0 FAADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C[N@@H+]1C1CC1 ZINC000685277128 483804186 /nfs/dbraw/zinc/80/41/86/483804186.db2.gz GZSSPUXWKYWMGT-IIAWOOMASA-N 2 2 368.478 -1.121 20 0 FAADLP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C[N@H+]1C1CC1 ZINC000685277129 483804250 /nfs/dbraw/zinc/80/42/50/483804250.db2.gz GZSSPUXWKYWMGT-IJEWVQPXSA-N 2 2 368.478 -1.121 20 0 FAADLP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C[N@@H+]1C1CC1 ZINC000685277129 483804247 /nfs/dbraw/zinc/80/42/47/483804247.db2.gz GZSSPUXWKYWMGT-IJEWVQPXSA-N 2 2 368.478 -1.121 20 0 FAADLP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C[N@H+]1C1CC1 ZINC000685277130 483804642 /nfs/dbraw/zinc/80/46/42/483804642.db2.gz GZSSPUXWKYWMGT-YCPHGPKFSA-N 2 2 368.478 -1.121 20 0 FAADLP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C[N@@H+]1C1CC1 ZINC000685277130 483804641 /nfs/dbraw/zinc/80/46/41/483804641.db2.gz GZSSPUXWKYWMGT-YCPHGPKFSA-N 2 2 368.478 -1.121 20 0 FAADLP C[C@H](NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685338065 483805001 /nfs/dbraw/zinc/80/50/01/483805001.db2.gz YMSVYZUWQHBTJM-KBPBESRZSA-N 2 2 356.467 -1.263 20 0 FAADLP C[C@H](NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685338065 483804999 /nfs/dbraw/zinc/80/49/99/483804999.db2.gz YMSVYZUWQHBTJM-KBPBESRZSA-N 2 2 356.467 -1.263 20 0 FAADLP C[C@@H](NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685338068 483805428 /nfs/dbraw/zinc/80/54/28/483805428.db2.gz YMSVYZUWQHBTJM-KGLIPLIRSA-N 2 2 356.467 -1.263 20 0 FAADLP C[C@@H](NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685338068 483805427 /nfs/dbraw/zinc/80/54/27/483805427.db2.gz YMSVYZUWQHBTJM-KGLIPLIRSA-N 2 2 356.467 -1.263 20 0 FAADLP C[C@H](NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685338069 483805416 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HATRKZZDSHQKOB-HZPDHXFCSA-N 2 2 369.510 -1.082 20 0 FAADLP C[C@H](NC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685339090 483805373 /nfs/dbraw/zinc/80/53/73/483805373.db2.gz HATRKZZDSHQKOB-JKSUJKDBSA-N 2 2 369.510 -1.082 20 0 FAADLP C[C@H](NC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685339090 483805371 /nfs/dbraw/zinc/80/53/71/483805371.db2.gz HATRKZZDSHQKOB-JKSUJKDBSA-N 2 2 369.510 -1.082 20 0 FAADLP C[C@H](NC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685339090 483805370 /nfs/dbraw/zinc/80/53/70/483805370.db2.gz HATRKZZDSHQKOB-JKSUJKDBSA-N 2 2 369.510 -1.082 20 0 FAADLP C[C@H](NC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685339090 483805368 /nfs/dbraw/zinc/80/53/68/483805368.db2.gz HATRKZZDSHQKOB-JKSUJKDBSA-N 2 2 369.510 -1.082 20 0 FAADLP C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000685341024 483805483 /nfs/dbraw/zinc/80/54/83/483805483.db2.gz MITZXMXMHOEIHY-CABCVRRESA-N 3 2 357.499 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C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000685341050 483804729 /nfs/dbraw/zinc/80/47/29/483804729.db2.gz MITZXMXMHOEIHY-LSDHHAIUSA-N 3 2 357.499 -1.227 20 0 FAADLP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@H]1C[N@H+](C)CCO1 ZINC000685341050 483804727 /nfs/dbraw/zinc/80/47/27/483804727.db2.gz MITZXMXMHOEIHY-LSDHHAIUSA-N 3 2 357.499 -1.227 20 0 FAADLP C[C@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685343784 483805394 /nfs/dbraw/zinc/80/53/94/483805394.db2.gz OMLPXEFAXZFHNI-KKUMJFAQSA-N 2 2 372.466 -2.027 20 0 FAADLP C[C@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685343784 483805393 /nfs/dbraw/zinc/80/53/93/483805393.db2.gz OMLPXEFAXZFHNI-KKUMJFAQSA-N 2 2 372.466 -2.027 20 0 FAADLP C[C@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685343785 483804980 /nfs/dbraw/zinc/80/49/80/483804980.db2.gz OMLPXEFAXZFHNI-RRFJBIMHSA-N 2 2 372.466 -2.027 20 0 FAADLP C[C@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)[C@H]1C[N@H+](C)CCO1 ZINC000685343785 483804978 /nfs/dbraw/zinc/80/49/78/483804978.db2.gz OMLPXEFAXZFHNI-RRFJBIMHSA-N 2 2 372.466 -2.027 20 0 FAADLP C[C@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685343786 483806039 /nfs/dbraw/zinc/80/60/39/483806039.db2.gz OMLPXEFAXZFHNI-SOUVJXGZSA-N 2 2 372.466 -2.027 20 0 FAADLP C[C@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)[C@H]1C[N@H+](C)CCO1 ZINC000685343786 483806038 /nfs/dbraw/zinc/80/60/38/483806038.db2.gz OMLPXEFAXZFHNI-SOUVJXGZSA-N 2 2 372.466 -2.027 20 0 FAADLP C[C@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685343787 483806087 /nfs/dbraw/zinc/80/60/87/483806087.db2.gz OMLPXEFAXZFHNI-ZNMIVQPWSA-N 2 2 372.466 -2.027 20 0 FAADLP C[C@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685343787 483806086 /nfs/dbraw/zinc/80/60/86/483806086.db2.gz OMLPXEFAXZFHNI-ZNMIVQPWSA-N 2 2 372.466 -2.027 20 0 FAADLP C[NH+]1CCN(C(=O)C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000736856586 598526093 /nfs/dbraw/zinc/52/60/93/598526093.db2.gz KUGUOJVNNPZZJU-LLVKDONJSA-N 2 2 360.426 -1.532 20 0 FAADLP C[NH+]1CCN(C(=O)C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000736856595 598526323 /nfs/dbraw/zinc/52/63/23/598526323.db2.gz KUGUOJVNNPZZJU-NSHDSACASA-N 2 2 360.426 -1.532 20 0 FAADLP C[C@@]1(C(N)=O)CC[NH+](CCS(=O)(=O)CC[N@H+]2CC[C@](C)(C(N)=O)C2)C1 ZINC000796580844 658577661 /nfs/dbraw/zinc/57/76/61/658577661.db2.gz MBTQXYFBWYUVQR-IYBDPMFKSA-N 2 2 374.507 -1.204 20 0 FAADLP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CC[NH+]1CCOCC1 ZINC000799036047 658583041 /nfs/dbraw/zinc/58/30/41/658583041.db2.gz WZBUVQMWHAXNPJ-UHFFFAOYSA-N 2 2 356.467 -1.042 20 0 FAADLP COCC[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000804052213 658585438 /nfs/dbraw/zinc/58/54/38/658585438.db2.gz DMZBDBWAGWBWTG-CABCVRRESA-N 2 2 354.451 -1.244 20 0 FAADLP COCC[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000804052213 658585430 /nfs/dbraw/zinc/58/54/30/658585430.db2.gz DMZBDBWAGWBWTG-CABCVRRESA-N 2 2 354.451 -1.244 20 0 FAADLP COCC[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000804052214 658586321 /nfs/dbraw/zinc/58/63/21/658586321.db2.gz DMZBDBWAGWBWTG-GJZGRUSLSA-N 2 2 354.451 -1.244 20 0 FAADLP COCC[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000804052214 658586315 /nfs/dbraw/zinc/58/63/15/658586315.db2.gz DMZBDBWAGWBWTG-GJZGRUSLSA-N 2 2 354.451 -1.244 20 0 FAADLP COCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000804052215 658586883 /nfs/dbraw/zinc/58/68/83/658586883.db2.gz DMZBDBWAGWBWTG-HUUCEWRRSA-N 2 2 354.451 -1.244 20 0 FAADLP COCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000804052215 658586873 /nfs/dbraw/zinc/58/68/73/658586873.db2.gz DMZBDBWAGWBWTG-HUUCEWRRSA-N 2 2 354.451 -1.244 20 0 FAADLP COCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000804052216 658586680 /nfs/dbraw/zinc/58/66/80/658586680.db2.gz DMZBDBWAGWBWTG-LSDHHAIUSA-N 2 2 354.451 -1.244 20 0 FAADLP COCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000804052216 658586672 /nfs/dbraw/zinc/58/66/72/658586672.db2.gz DMZBDBWAGWBWTG-LSDHHAIUSA-N 2 2 354.451 -1.244 20 0 FAADLP C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)CC(=O)N1CC[NH+](C)CC1 ZINC000821624904 606701008 /nfs/dbraw/zinc/70/10/08/606701008.db2.gz AFKJOCKUBGIIDH-UHFFFAOYSA-N 2 2 362.442 -1.190 20 0 FAADLP C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)CC(=O)N1CC[NH+](C)CC1 ZINC000821624904 606701007 /nfs/dbraw/zinc/70/10/07/606701007.db2.gz AFKJOCKUBGIIDH-UHFFFAOYSA-N 2 2 362.442 -1.190 20 0 FAADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000823788779 790642938 /nfs/dbraw/zinc/64/29/38/790642938.db2.gz YGHMXAYSRQSUED-PBHICJAKSA-N 2 2 353.467 -1.047 20 0 FAADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000823788779 790642932 /nfs/dbraw/zinc/64/29/32/790642932.db2.gz YGHMXAYSRQSUED-PBHICJAKSA-N 2 2 353.467 -1.047 20 0 FAADLP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000823788784 790643355 /nfs/dbraw/zinc/64/33/55/790643355.db2.gz YGHMXAYSRQSUED-RHSMWYFYSA-N 2 2 353.467 -1.047 20 0 FAADLP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000823788784 790643346 /nfs/dbraw/zinc/64/33/46/790643346.db2.gz YGHMXAYSRQSUED-RHSMWYFYSA-N 2 2 353.467 -1.047 20 0 FAADLP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000823788786 790643035 /nfs/dbraw/zinc/64/30/35/790643035.db2.gz YGHMXAYSRQSUED-WMLDXEAASA-N 2 2 353.467 -1.047 20 0 FAADLP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000823788786 790643029 /nfs/dbraw/zinc/64/30/29/790643029.db2.gz YGHMXAYSRQSUED-WMLDXEAASA-N 2 2 353.467 -1.047 20 0 FAADLP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000823788788 790643107 /nfs/dbraw/zinc/64/31/07/790643107.db2.gz YGHMXAYSRQSUED-YOEHRIQHSA-N 2 2 353.467 -1.047 20 0 FAADLP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000823788788 790643098 /nfs/dbraw/zinc/64/30/98/790643098.db2.gz YGHMXAYSRQSUED-YOEHRIQHSA-N 2 2 353.467 -1.047 20 0 FAADLP O=C(CO[C@H]1CCC[NH2+]C1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000844186762 658676965 /nfs/dbraw/zinc/67/69/65/658676965.db2.gz TYIRLCUERUMWNI-CABCVRRESA-N 2 2 354.451 -1.196 20 0 FAADLP O=C(CO[C@H]1CCC[NH2+]C1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000844186763 658676442 /nfs/dbraw/zinc/67/64/42/658676442.db2.gz TYIRLCUERUMWNI-GJZGRUSLSA-N 2 2 354.451 -1.196 20 0 FAADLP O=C(CO[C@@H]1CCC[NH2+]C1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000844186764 658676640 /nfs/dbraw/zinc/67/66/40/658676640.db2.gz TYIRLCUERUMWNI-HUUCEWRRSA-N 2 2 354.451 -1.196 20 0 FAADLP O=C(CO[C@@H]1CCC[NH2+]C1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000844186765 658676897 /nfs/dbraw/zinc/67/68/97/658676897.db2.gz TYIRLCUERUMWNI-LSDHHAIUSA-N 2 2 354.451 -1.196 20 0 FAADLP C[C@H]([NH3+])CCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000857114029 658728750 /nfs/dbraw/zinc/72/87/50/658728750.db2.gz MNDLUAGWXLHCJB-ZDUSSCGKSA-N 2 2 362.500 -1.457 20 0 FAADLP C[NH+](CCS(=O)(=O)CC[N@H+](C)[C@H]1C[C@@H](C(N)=O)C1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000859960659 658737691 /nfs/dbraw/zinc/73/76/91/658737691.db2.gz UKTNCVDKIXCJDZ-KJGYPYNMSA-N 2 2 374.507 -1.207 20 0 FAADLP C[NH+](CCS(=O)(=O)CC[N@@H+](C)[C@H]1C[C@@H](C(N)=O)C1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000859960659 658737687 /nfs/dbraw/zinc/73/76/87/658737687.db2.gz UKTNCVDKIXCJDZ-KJGYPYNMSA-N 2 2 374.507 -1.207 20 0 FAADLP O=C(C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)N1CCNC(=O)C1 ZINC000863550218 658750820 /nfs/dbraw/zinc/75/08/20/658750820.db2.gz PZMTVQJFHDSSDN-OLZOCXBDSA-N 2 2 351.407 -1.798 20 0 FAADLP C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000868410737 658758459 /nfs/dbraw/zinc/75/84/59/658758459.db2.gz IVGJLEBAOFWNKE-UPJWGTAASA-N 2 2 351.407 -1.846 20 0 FAADLP C[NH+]1CCN(C(=O)C(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000868410743 658758542 /nfs/dbraw/zinc/75/85/42/658758542.db2.gz IVGJLEBAOFWNKE-XQQFMLRXSA-N 2 2 351.407 -1.846 20 0 FAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000868418545 658758556 /nfs/dbraw/zinc/75/85/56/658758556.db2.gz KHIFVGZDKPBQTC-KKUMJFAQSA-N 2 2 354.451 -1.509 20 0 FAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000868418549 658758405 /nfs/dbraw/zinc/75/84/05/658758405.db2.gz KHIFVGZDKPBQTC-RRFJBIMHSA-N 2 2 354.451 -1.509 20 0 FAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000868418550 658758382 /nfs/dbraw/zinc/75/83/82/658758382.db2.gz KHIFVGZDKPBQTC-SOUVJXGZSA-N 2 2 354.451 -1.509 20 0 FAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000868418552 658758434 /nfs/dbraw/zinc/75/84/34/658758434.db2.gz KHIFVGZDKPBQTC-ZNMIVQPWSA-N 2 2 354.451 -1.509 20 0 FAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872194131 658762569 /nfs/dbraw/zinc/76/25/69/658762569.db2.gz GNDNZEFHLKBNBC-GRDNDAEWSA-N 2 2 354.451 -1.794 20 0 FAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872194132 658762516 /nfs/dbraw/zinc/76/25/16/658762516.db2.gz GNDNZEFHLKBNBC-JJRVBVJISA-N 2 2 354.451 -1.794 20 0 FAADLP C[C@@H](C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)N1CC[NH2+]CC1=O ZINC000872302774 658762588 /nfs/dbraw/zinc/76/25/88/658762588.db2.gz LWMMCWJQKYZWGF-LOWDOPEQSA-N 2 2 351.407 -1.800 20 0 FAADLP C[C@H](C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)N1CC[NH2+]CC1=O ZINC000872302775 658762500 /nfs/dbraw/zinc/76/25/00/658762500.db2.gz LWMMCWJQKYZWGF-LPWJVIDDSA-N 2 2 351.407 -1.800 20 0 FAADLP C[C@@H](C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)N1CC[NH2+]CC1=O ZINC000872302776 658762443 /nfs/dbraw/zinc/76/24/43/658762443.db2.gz LWMMCWJQKYZWGF-RVMXOQNASA-N 2 2 351.407 -1.800 20 0 FAADLP C[C@H](C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)N1CC[NH2+]CC1=O ZINC000872302777 658762532 /nfs/dbraw/zinc/76/25/32/658762532.db2.gz LWMMCWJQKYZWGF-XQHKEYJVSA-N 2 2 351.407 -1.800 20 0 FAADLP C[NH+](C)C[C@H](N)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000876600544 658769829 /nfs/dbraw/zinc/76/98/29/658769829.db2.gz GPISSGDSEODXSP-ZDUSSCGKSA-N 2 2 362.500 -2.488 20 0 FAADLP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000883645791 658778962 /nfs/dbraw/zinc/77/89/62/658778962.db2.gz WQBMSFYRFALQAY-CABCVRRESA-N 2 2 356.467 -1.262 20 0 FAADLP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000883645792 658778798 /nfs/dbraw/zinc/77/87/98/658778798.db2.gz WQBMSFYRFALQAY-HUUCEWRRSA-N 2 2 356.467 -1.262 20 0 FAADLP COCC[C@@H]([NH3+])C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000884089187 658780866 /nfs/dbraw/zinc/78/08/66/658780866.db2.gz HVMVWMOGKNPHCE-CYBMUJFWSA-N 2 2 363.484 -2.013 20 0 FAADLP COCC[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000884089188 658780302 /nfs/dbraw/zinc/78/03/02/658780302.db2.gz HVMVWMOGKNPHCE-ZDUSSCGKSA-N 2 2 363.484 -2.013 20 0 FAADLP O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)C(=O)N1CC[NH2+]CC1 ZINC000885224147 658785301 /nfs/dbraw/zinc/78/53/01/658785301.db2.gz JTJNGSBLVZGWCC-HNNXBMFYSA-N 2 2 353.467 -1.669 20 0 FAADLP O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)C(=O)N1CC[NH2+]CC1 ZINC000885224147 658785295 /nfs/dbraw/zinc/78/52/95/658785295.db2.gz JTJNGSBLVZGWCC-HNNXBMFYSA-N 2 2 353.467 -1.669 20 0 FAADLP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)C(=O)N1CC[NH2+]CC1 ZINC000885224151 658785008 /nfs/dbraw/zinc/78/50/08/658785008.db2.gz JTJNGSBLVZGWCC-OAHLLOKOSA-N 2 2 353.467 -1.669 20 0 FAADLP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)C(=O)N1CC[NH2+]CC1 ZINC000885224151 658784997 /nfs/dbraw/zinc/78/49/97/658784997.db2.gz JTJNGSBLVZGWCC-OAHLLOKOSA-N 2 2 353.467 -1.669 20 0 FAADLP Cc1cc(N)nc(N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)[nH+]1 ZINC000891762328 657263393 /nfs/dbraw/zinc/26/33/93/657263393.db2.gz MEADZGLNUOCFBG-UHFFFAOYSA-N 2 2 355.468 -1.019 20 0 FAADLP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000897444593 657922380 /nfs/dbraw/zinc/92/23/80/657922380.db2.gz LVLUFYKJWYLRHI-UHFFFAOYSA-N 2 2 353.467 -1.181 20 0 FAADLP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000897444593 657922376 /nfs/dbraw/zinc/92/23/76/657922376.db2.gz LVLUFYKJWYLRHI-UHFFFAOYSA-N 2 2 353.467 -1.181 20 0 FAADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000897468644 657922099 /nfs/dbraw/zinc/92/20/99/657922099.db2.gz SPZRUZFAXPINLI-UHFFFAOYSA-N 2 2 353.467 -1.134 20 0 FAADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000897468644 657922093 /nfs/dbraw/zinc/92/20/93/657922093.db2.gz SPZRUZFAXPINLI-UHFFFAOYSA-N 2 2 353.467 -1.134 20 0 FAADLP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000897700603 657943533 /nfs/dbraw/zinc/94/35/33/657943533.db2.gz OUAZLWDTQXGMFL-AWEZNQCLSA-N 2 2 353.467 -1.134 20 0 FAADLP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000897700603 657943513 /nfs/dbraw/zinc/94/35/13/657943513.db2.gz OUAZLWDTQXGMFL-AWEZNQCLSA-N 2 2 353.467 -1.134 20 0 FAADLP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000897700604 657943554 /nfs/dbraw/zinc/94/35/54/657943554.db2.gz OUAZLWDTQXGMFL-CQSZACIVSA-N 2 2 353.467 -1.134 20 0 FAADLP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000897700604 657943551 /nfs/dbraw/zinc/94/35/51/657943551.db2.gz OUAZLWDTQXGMFL-CQSZACIVSA-N 2 2 353.467 -1.134 20 0 FAADLP CC[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)CC1 ZINC000903711107 659330713 /nfs/dbraw/zinc/33/07/13/659330713.db2.gz RCPZCCLMQVOKLB-AHIWAGSCSA-N 2 2 352.435 -1.111 20 0 FAADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000903763604 659330984 /nfs/dbraw/zinc/33/09/84/659330984.db2.gz VGSMBSGLXNOQTL-AWEZNQCLSA-N 2 2 356.467 -1.012 20 0 FAADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000903763605 659331299 /nfs/dbraw/zinc/33/12/99/659331299.db2.gz VGSMBSGLXNOQTL-CQSZACIVSA-N 2 2 356.467 -1.012 20 0 FAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CC1 ZINC000903775414 659331064 /nfs/dbraw/zinc/33/10/64/659331064.db2.gz BYTBINIUTBXCGZ-HBNTYKKESA-N 2 2 352.357 -1.141 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C[C@H]1CC[NH3+] ZINC000903778806 659331229 /nfs/dbraw/zinc/33/12/29/659331229.db2.gz SNEDCAVUINXSRK-KFWWJZLASA-N 2 2 356.467 -1.419 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C[C@H]1CC[NH3+] ZINC000903778807 659331045 /nfs/dbraw/zinc/33/10/45/659331045.db2.gz SNEDCAVUINXSRK-RBSFLKMASA-N 2 2 356.467 -1.419 20 0 FAADLP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000903786220 659331082 /nfs/dbraw/zinc/33/10/82/659331082.db2.gz WQBMSFYRFALQAY-GJZGRUSLSA-N 2 2 356.467 -1.262 20 0 FAADLP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000903786227 659331138 /nfs/dbraw/zinc/33/11/38/659331138.db2.gz WQBMSFYRFALQAY-LSDHHAIUSA-N 2 2 356.467 -1.262 20 0 FAADLP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000904993353 657973756 /nfs/dbraw/zinc/97/37/56/657973756.db2.gz DDHCVLCHNFUCCZ-QLFBSQMISA-N 2 2 356.467 -1.263 20 0 FAADLP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000904993353 657973749 /nfs/dbraw/zinc/97/37/49/657973749.db2.gz DDHCVLCHNFUCCZ-QLFBSQMISA-N 2 2 356.467 -1.263 20 0 FAADLP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000904993354 657973858 /nfs/dbraw/zinc/97/38/58/657973858.db2.gz DDHCVLCHNFUCCZ-ZNMIVQPWSA-N 2 2 356.467 -1.263 20 0 FAADLP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000904993354 657973854 /nfs/dbraw/zinc/97/38/54/657973854.db2.gz DDHCVLCHNFUCCZ-ZNMIVQPWSA-N 2 2 356.467 -1.263 20 0 FAADLP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000904994397 657973380 /nfs/dbraw/zinc/97/33/80/657973380.db2.gz GDKZJBONMFHQFM-AWEZNQCLSA-N 2 2 356.467 -1.262 20 0 FAADLP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000904994398 657973807 /nfs/dbraw/zinc/97/38/07/657973807.db2.gz GDKZJBONMFHQFM-CQSZACIVSA-N 2 2 356.467 -1.262 20 0 FAADLP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000904997595 657971622 /nfs/dbraw/zinc/97/16/22/657971622.db2.gz UPHJHTUIFUWTPW-AWEZNQCLSA-N 2 2 356.467 -1.262 20 0 FAADLP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000904997595 657971617 /nfs/dbraw/zinc/97/16/17/657971617.db2.gz UPHJHTUIFUWTPW-AWEZNQCLSA-N 2 2 356.467 -1.262 20 0 FAADLP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000904997598 657971780 /nfs/dbraw/zinc/97/17/80/657971780.db2.gz UPHJHTUIFUWTPW-CQSZACIVSA-N 2 2 356.467 -1.262 20 0 FAADLP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000904997598 657971773 /nfs/dbraw/zinc/97/17/73/657971773.db2.gz UPHJHTUIFUWTPW-CQSZACIVSA-N 2 2 356.467 -1.262 20 0 FAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000905010850 657971554 /nfs/dbraw/zinc/97/15/54/657971554.db2.gz UXVJJHVTMZWPLP-GRDNDAEWSA-N 2 2 354.451 -1.522 20 0 FAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC000905010851 657971854 /nfs/dbraw/zinc/97/18/54/657971854.db2.gz UXVJJHVTMZWPLP-JKIFEVAISA-N 2 2 354.451 -1.522 20 0 FAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC000905010852 657971717 /nfs/dbraw/zinc/97/17/17/657971717.db2.gz UXVJJHVTMZWPLP-KEYYUXOJSA-N 2 2 354.451 -1.522 20 0 FAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000905010853 657971398 /nfs/dbraw/zinc/97/13/98/657971398.db2.gz UXVJJHVTMZWPLP-ZQIUZPCESA-N 2 2 354.451 -1.522 20 0 FAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000905014053 657971309 /nfs/dbraw/zinc/97/13/09/657971309.db2.gz HVLWSLMZNDJZFD-HNNXBMFYSA-N 2 2 355.483 -1.471 20 0 FAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000905014053 657971284 /nfs/dbraw/zinc/97/12/84/657971284.db2.gz HVLWSLMZNDJZFD-HNNXBMFYSA-N 2 2 355.483 -1.471 20 0 FAADLP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000905014055 657971652 /nfs/dbraw/zinc/97/16/52/657971652.db2.gz HVLWSLMZNDJZFD-OAHLLOKOSA-N 2 2 355.483 -1.471 20 0 FAADLP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000905014055 657971646 /nfs/dbraw/zinc/97/16/46/657971646.db2.gz HVLWSLMZNDJZFD-OAHLLOKOSA-N 2 2 355.483 -1.471 20 0 FAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000905016400 657972628 /nfs/dbraw/zinc/97/26/28/657972628.db2.gz ZYPOQKKRIWJMOZ-PBHICJAKSA-N 2 2 354.451 -1.508 20 0 FAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000905016410 657972696 /nfs/dbraw/zinc/97/26/96/657972696.db2.gz ZYPOQKKRIWJMOZ-RHSMWYFYSA-N 2 2 354.451 -1.508 20 0 FAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000905016419 657972571 /nfs/dbraw/zinc/97/25/71/657972571.db2.gz ZYPOQKKRIWJMOZ-WMLDXEAASA-N 2 2 354.451 -1.508 20 0 FAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000905016438 657972579 /nfs/dbraw/zinc/97/25/79/657972579.db2.gz ZYPOQKKRIWJMOZ-YOEHRIQHSA-N 2 2 354.451 -1.508 20 0 FAADLP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000905018905 657972489 /nfs/dbraw/zinc/97/24/89/657972489.db2.gz ZRIXIXCQCIKNSB-CABCVRRESA-N 2 2 354.451 -1.244 20 0 FAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000905018907 657972498 /nfs/dbraw/zinc/97/24/98/657972498.db2.gz ZRIXIXCQCIKNSB-GJZGRUSLSA-N 2 2 354.451 -1.244 20 0 FAADLP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000905018909 657972744 /nfs/dbraw/zinc/97/27/44/657972744.db2.gz ZRIXIXCQCIKNSB-HUUCEWRRSA-N 2 2 354.451 -1.244 20 0 FAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000905018911 657972457 /nfs/dbraw/zinc/97/24/57/657972457.db2.gz ZRIXIXCQCIKNSB-LSDHHAIUSA-N 2 2 354.451 -1.244 20 0 FAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000905021034 657973357 /nfs/dbraw/zinc/97/33/57/657973357.db2.gz CRRNSZXFAGQGTA-KBPBESRZSA-N 2 2 356.467 -1.263 20 0 FAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000905021035 657973562 /nfs/dbraw/zinc/97/35/62/657973562.db2.gz CRRNSZXFAGQGTA-KGLIPLIRSA-N 2 2 356.467 -1.263 20 0 FAADLP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000905021036 657973721 /nfs/dbraw/zinc/97/37/21/657973721.db2.gz CRRNSZXFAGQGTA-UONOGXRCSA-N 2 2 356.467 -1.263 20 0 FAADLP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000905021037 657973460 /nfs/dbraw/zinc/97/34/60/657973460.db2.gz CRRNSZXFAGQGTA-ZIAGYGMSSA-N 2 2 356.467 -1.263 20 0 FAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000905021166 657973494 /nfs/dbraw/zinc/97/34/94/657973494.db2.gz FXIIVKCHAIBWSV-HNNXBMFYSA-N 2 2 357.499 -1.225 20 0 FAADLP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000905021167 657973650 /nfs/dbraw/zinc/97/36/50/657973650.db2.gz FXIIVKCHAIBWSV-OAHLLOKOSA-N 2 2 357.499 -1.225 20 0 FAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000905021216 657973307 /nfs/dbraw/zinc/97/33/07/657973307.db2.gz HCVHKQSNTPNQOV-KBPBESRZSA-N 2 2 358.439 -2.415 20 0 FAADLP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000905021217 657973611 /nfs/dbraw/zinc/97/36/11/657973611.db2.gz HCVHKQSNTPNQOV-KGLIPLIRSA-N 2 2 358.439 -2.415 20 0 FAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000905021218 657973530 /nfs/dbraw/zinc/97/35/30/657973530.db2.gz HCVHKQSNTPNQOV-UONOGXRCSA-N 2 2 358.439 -2.415 20 0 FAADLP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000905021219 657973701 /nfs/dbraw/zinc/97/37/01/657973701.db2.gz HCVHKQSNTPNQOV-ZIAGYGMSSA-N 2 2 358.439 -2.415 20 0 FAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000905021465 657974356 /nfs/dbraw/zinc/97/43/56/657974356.db2.gz LQSLFYINEVLJTC-HNNXBMFYSA-N 2 2 354.451 -1.244 20 0 FAADLP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000905021466 657974733 /nfs/dbraw/zinc/97/47/33/657974733.db2.gz LQSLFYINEVLJTC-OAHLLOKOSA-N 2 2 354.451 -1.244 20 0 FAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000905025703 657974933 /nfs/dbraw/zinc/97/49/33/657974933.db2.gz ZUVSKZLLGQXTKS-CABCVRRESA-N 2 2 354.451 -1.386 20 0 FAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000905025704 657975004 /nfs/dbraw/zinc/97/50/04/657975004.db2.gz ZUVSKZLLGQXTKS-GJZGRUSLSA-N 2 2 354.451 -1.386 20 0 FAADLP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000905025705 657974774 /nfs/dbraw/zinc/97/47/74/657974774.db2.gz ZUVSKZLLGQXTKS-HUUCEWRRSA-N 2 2 354.451 -1.386 20 0 FAADLP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000905025706 657974384 /nfs/dbraw/zinc/97/43/84/657974384.db2.gz ZUVSKZLLGQXTKS-LSDHHAIUSA-N 2 2 354.451 -1.386 20 0 FAADLP C[NH+](C)C1(CS(=O)(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000905346254 657976691 /nfs/dbraw/zinc/97/66/91/657976691.db2.gz ZSTVPWCLULKJDO-UHFFFAOYSA-N 2 2 366.509 -1.670 20 0 FAADLP CN(C(=O)CCC(N)=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000906596370 657978807 /nfs/dbraw/zinc/97/88/07/657978807.db2.gz DZMCZNACALJOPM-UHFFFAOYSA-N 2 2 353.467 -1.051 20 0 FAADLP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000910976856 657998558 /nfs/dbraw/zinc/99/85/58/657998558.db2.gz JKXQSJPECQKQOZ-GFCCVEGCSA-N 2 2 352.439 -1.061 20 0 FAADLP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000910976857 657999000 /nfs/dbraw/zinc/99/90/00/657999000.db2.gz JKXQSJPECQKQOZ-LBPRGKRZSA-N 2 2 352.439 -1.061 20 0 FAADLP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000911013568 658000132 /nfs/dbraw/zinc/00/01/32/658000132.db2.gz AYOHRWAEHUSMJX-ZIAGYGMSSA-N 2 2 354.451 -1.292 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C[C@H]1[NH3+] ZINC000911014344 657999753 /nfs/dbraw/zinc/99/97/53/657999753.db2.gz IOPQALRRQSRXHZ-ZIAGYGMSSA-N 2 2 354.451 -1.210 20 0 FAADLP [NH3+][C@H]1CCCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000911014794 657999826 /nfs/dbraw/zinc/99/98/26/657999826.db2.gz LTNZUJRQOXOKHW-AWEZNQCLSA-N 2 2 354.451 -1.066 20 0 FAADLP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000911068169 658001352 /nfs/dbraw/zinc/00/13/52/658001352.db2.gz TXCFQTNHJYJZKL-CABCVRRESA-N 2 2 356.467 -1.094 20 0 FAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000911068170 658001302 /nfs/dbraw/zinc/00/13/02/658001302.db2.gz TXCFQTNHJYJZKL-GJZGRUSLSA-N 2 2 356.467 -1.094 20 0 FAADLP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000911068171 658000670 /nfs/dbraw/zinc/00/06/70/658000670.db2.gz TXCFQTNHJYJZKL-HUUCEWRRSA-N 2 2 356.467 -1.094 20 0 FAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000911068172 658000993 /nfs/dbraw/zinc/00/09/93/658000993.db2.gz TXCFQTNHJYJZKL-LSDHHAIUSA-N 2 2 356.467 -1.094 20 0 FAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000911099751 658001174 /nfs/dbraw/zinc/00/11/74/658001174.db2.gz BHVAUNFDACCTFK-HNNXBMFYSA-N 2 2 355.483 -1.425 20 0 FAADLP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000911099752 658000814 /nfs/dbraw/zinc/00/08/14/658000814.db2.gz BHVAUNFDACCTFK-OAHLLOKOSA-N 2 2 355.483 -1.425 20 0 FAADLP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCNCC[NH2+]CC2)CC1 ZINC000911148831 658002254 /nfs/dbraw/zinc/00/22/54/658002254.db2.gz ABQXPZCLEKBSDA-UHFFFAOYSA-N 2 2 354.455 -2.712 20 0 FAADLP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000911149744 658002023 /nfs/dbraw/zinc/00/20/23/658002023.db2.gz KZOLNABFPTVXET-CYBMUJFWSA-N 2 2 355.439 -2.287 20 0 FAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000911149745 658002831 /nfs/dbraw/zinc/00/28/31/658002831.db2.gz KZOLNABFPTVXET-ZDUSSCGKSA-N 2 2 355.439 -2.287 20 0 FAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000911185338 658003733 /nfs/dbraw/zinc/00/37/33/658003733.db2.gz CURYDXJKWNDVJY-HNNXBMFYSA-N 2 2 355.483 -1.423 20 0 FAADLP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000911185339 658003393 /nfs/dbraw/zinc/00/33/93/658003393.db2.gz CURYDXJKWNDVJY-OAHLLOKOSA-N 2 2 355.483 -1.423 20 0 FAADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000911378736 658008110 /nfs/dbraw/zinc/00/81/10/658008110.db2.gz IAIAWIIJQURJJC-KGLIPLIRSA-N 2 2 356.467 -1.236 20 0 FAADLP CN1CCN(C(=O)C(=O)NCc2nc(C[NH+](C)C)cs2)[C@H](C[NH3+])C1 ZINC000911404532 658010848 /nfs/dbraw/zinc/01/08/48/658010848.db2.gz PSSCSBAAVIAGIU-GFCCVEGCSA-N 2 2 354.480 -1.078 20 0 FAADLP CN1CCN(C(=O)C(=O)NCc2nc(C[NH+](C)C)cs2)[C@@H](C[NH3+])C1 ZINC000911404533 658010173 /nfs/dbraw/zinc/01/01/73/658010173.db2.gz PSSCSBAAVIAGIU-LBPRGKRZSA-N 2 2 354.480 -1.078 20 0 FAADLP O=C(N[C@H]1CCC[N@H+]2CCSC[C@@H]12)C(=O)N1CCNCC[NH2+]CC1 ZINC000911413793 658011872 /nfs/dbraw/zinc/01/18/72/658011872.db2.gz JDGDZYMZQIRLDJ-KBPBESRZSA-N 2 2 355.508 -1.296 20 0 FAADLP O=C(N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)C(=O)N1CCNCC[NH2+]CC1 ZINC000911413793 658011861 /nfs/dbraw/zinc/01/18/61/658011861.db2.gz JDGDZYMZQIRLDJ-KBPBESRZSA-N 2 2 355.508 -1.296 20 0 FAADLP O=C(N[C@@H]1CCC[N@H+]2CCSC[C@@H]12)C(=O)N1CCNCC[NH2+]CC1 ZINC000911413794 658011749 /nfs/dbraw/zinc/01/17/49/658011749.db2.gz JDGDZYMZQIRLDJ-KGLIPLIRSA-N 2 2 355.508 -1.296 20 0 FAADLP O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)C(=O)N1CCNCC[NH2+]CC1 ZINC000911413794 658011740 /nfs/dbraw/zinc/01/17/40/658011740.db2.gz JDGDZYMZQIRLDJ-KGLIPLIRSA-N 2 2 355.508 -1.296 20 0 FAADLP O=C(N[C@H]1CCC[N@H+]2CCSC[C@H]12)C(=O)N1CCNCC[NH2+]CC1 ZINC000911413796 658011557 /nfs/dbraw/zinc/01/15/57/658011557.db2.gz JDGDZYMZQIRLDJ-UONOGXRCSA-N 2 2 355.508 -1.296 20 0 FAADLP O=C(N[C@H]1CCC[N@@H+]2CCSC[C@H]12)C(=O)N1CCNCC[NH2+]CC1 ZINC000911413796 658011551 /nfs/dbraw/zinc/01/15/51/658011551.db2.gz JDGDZYMZQIRLDJ-UONOGXRCSA-N 2 2 355.508 -1.296 20 0 FAADLP O=C(N[C@@H]1CCC[N@H+]2CCSC[C@H]12)C(=O)N1CCNCC[NH2+]CC1 ZINC000911413797 658012074 /nfs/dbraw/zinc/01/20/74/658012074.db2.gz JDGDZYMZQIRLDJ-ZIAGYGMSSA-N 2 2 355.508 -1.296 20 0 FAADLP O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)C(=O)N1CCNCC[NH2+]CC1 ZINC000911413797 658012067 /nfs/dbraw/zinc/01/20/67/658012067.db2.gz JDGDZYMZQIRLDJ-ZIAGYGMSSA-N 2 2 355.508 -1.296 20 0 FAADLP CCOCC[NH+]1CCN(C(=O)C(=O)NCCN2CCC([NH3+])CC2)CC1 ZINC000911414158 658011308 /nfs/dbraw/zinc/01/13/08/658011308.db2.gz YTRPMGSUCVKHMI-UHFFFAOYSA-N 2 2 355.483 -1.294 20 0 FAADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)CC1 ZINC000911450304 658012647 /nfs/dbraw/zinc/01/26/47/658012647.db2.gz RMAWFGGUDONFSU-CYBMUJFWSA-N 2 2 352.435 -1.048 20 0 FAADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)CC1 ZINC000911450306 658012963 /nfs/dbraw/zinc/01/29/63/658012963.db2.gz RMAWFGGUDONFSU-ZDUSSCGKSA-N 2 2 352.435 -1.048 20 0 FAADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC000911505658 658013409 /nfs/dbraw/zinc/01/34/09/658013409.db2.gz GAYMJKOTMRZVRC-UHFFFAOYSA-N 2 2 353.467 -1.003 20 0 FAADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC000911505658 658013402 /nfs/dbraw/zinc/01/34/02/658013402.db2.gz GAYMJKOTMRZVRC-UHFFFAOYSA-N 2 2 353.467 -1.003 20 0 FAADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000911518939 658013969 /nfs/dbraw/zinc/01/39/69/658013969.db2.gz CRFYKMHDQOBYMW-AWEZNQCLSA-N 2 2 356.467 -1.094 20 0 FAADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000911518940 658013894 /nfs/dbraw/zinc/01/38/94/658013894.db2.gz CRFYKMHDQOBYMW-CQSZACIVSA-N 2 2 356.467 -1.094 20 0 FAADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC000911536190 658013635 /nfs/dbraw/zinc/01/36/35/658013635.db2.gz JZTGEDPBWUKHAR-NWANDNLSSA-N 2 2 354.451 -1.199 20 0 FAADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC000911545797 658014016 /nfs/dbraw/zinc/01/40/16/658014016.db2.gz JZTGEDPBWUKHAR-VHDGCEQUSA-N 2 2 354.451 -1.199 20 0 FAADLP CN(CC[N@@H+](C)CCO)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000912609146 658017767 /nfs/dbraw/zinc/01/77/67/658017767.db2.gz ZPNISCKDABUNNH-HNNXBMFYSA-N 2 2 356.467 -1.450 20 0 FAADLP CN(CC[N@H+](C)CCO)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000912609146 658017763 /nfs/dbraw/zinc/01/77/63/658017763.db2.gz ZPNISCKDABUNNH-HNNXBMFYSA-N 2 2 356.467 -1.450 20 0 FAADLP CN(CC[N@@H+](C)CCO)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000912609147 658018135 /nfs/dbraw/zinc/01/81/35/658018135.db2.gz ZPNISCKDABUNNH-OAHLLOKOSA-N 2 2 356.467 -1.450 20 0 FAADLP CN(CC[N@H+](C)CCO)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000912609147 658018124 /nfs/dbraw/zinc/01/81/24/658018124.db2.gz ZPNISCKDABUNNH-OAHLLOKOSA-N 2 2 356.467 -1.450 20 0 FAADLP C[NH+]1CCN(C(=O)CCCC(=O)N2CC[N@@H+](C)C[C@H]2CO)[C@H](CO)C1 ZINC000912744698 658019328 /nfs/dbraw/zinc/01/93/28/658019328.db2.gz ZJGSELRWSUWDCI-GJZGRUSLSA-N 2 2 356.467 -1.574 20 0 FAADLP C[NH+]1CCN(C(=O)CCCC(=O)N2CC[N@@H+](C)C[C@@H]2CO)[C@@H](CO)C1 ZINC000912744700 658018833 /nfs/dbraw/zinc/01/88/33/658018833.db2.gz ZJGSELRWSUWDCI-HUUCEWRRSA-N 2 2 356.467 -1.574 20 0 FAADLP C[NH+](C)CCN1C[C@@H](C(=O)NCC[N@H+]2CCC3(C2)OCCO3)CC1=O ZINC000912896832 658019488 /nfs/dbraw/zinc/01/94/88/658019488.db2.gz MXZNBLRNUYDDPH-AWEZNQCLSA-N 2 2 354.451 -1.039 20 0 FAADLP C[NH+](C)CCN1C[C@@H](C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CC1=O ZINC000912896832 658019476 /nfs/dbraw/zinc/01/94/76/658019476.db2.gz MXZNBLRNUYDDPH-AWEZNQCLSA-N 2 2 354.451 -1.039 20 0 FAADLP C[NH+](C)CCN1C[C@H](C(=O)NCC[N@H+]2CCC3(C2)OCCO3)CC1=O ZINC000912896833 658019112 /nfs/dbraw/zinc/01/91/12/658019112.db2.gz MXZNBLRNUYDDPH-CQSZACIVSA-N 2 2 354.451 -1.039 20 0 FAADLP C[NH+](C)CCN1C[C@H](C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CC1=O ZINC000912896833 658019103 /nfs/dbraw/zinc/01/91/03/658019103.db2.gz MXZNBLRNUYDDPH-CQSZACIVSA-N 2 2 354.451 -1.039 20 0 FAADLP Cc1cc(N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)nc(N)[nH+]1 ZINC000914786395 658048801 /nfs/dbraw/zinc/04/88/01/658048801.db2.gz UZUIZTPMFZBQAY-UHFFFAOYSA-N 2 2 355.468 -1.019 20 0 FAADLP C[NH+](CC(N)=O)C[C@H]1CN(S(=O)(=O)C[C@@]23CC[N@@H+](C2)CCC3)CCO1 ZINC000915252210 790459829 /nfs/dbraw/zinc/45/98/29/790459829.db2.gz MCQMQKONPCKPGP-HOCLYGCPSA-N 2 2 374.507 -1.080 20 0 FAADLP C[N@H+](CC(N)=O)C[C@H]1CN(S(=O)(=O)C[C@@]23CC[NH+](C2)CCC3)CCO1 ZINC000915252210 790459782 /nfs/dbraw/zinc/45/97/82/790459782.db2.gz MCQMQKONPCKPGP-HOCLYGCPSA-N 2 2 374.507 -1.080 20 0 FAADLP C[N@@H+](CC(N)=O)C[C@H]1CN(S(=O)(=O)C[C@@]23CC[NH+](C2)CCC3)CCO1 ZINC000915252210 790459776 /nfs/dbraw/zinc/45/97/76/790459776.db2.gz MCQMQKONPCKPGP-HOCLYGCPSA-N 2 2 374.507 -1.080 20 0 FAADLP C[NH+]1CCN(CCCS(=O)(=O)NC[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000917065703 658078212 /nfs/dbraw/zinc/07/82/12/658078212.db2.gz BFKDHSKGOULBJD-INIZCTEOSA-N 2 2 359.540 -1.067 20 0 FAADLP C[NH+]1CCN(CCCS(=O)(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000917065703 658078206 /nfs/dbraw/zinc/07/82/06/658078206.db2.gz BFKDHSKGOULBJD-INIZCTEOSA-N 2 2 359.540 -1.067 20 0 FAADLP C[NH+]1CCN(CCCS(=O)(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000917065715 658078393 /nfs/dbraw/zinc/07/83/93/658078393.db2.gz BFKDHSKGOULBJD-MRXNPFEDSA-N 2 2 359.540 -1.067 20 0 FAADLP C[NH+]1CCN(CCCS(=O)(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000917065715 658078387 /nfs/dbraw/zinc/07/83/87/658078387.db2.gz BFKDHSKGOULBJD-MRXNPFEDSA-N 2 2 359.540 -1.067 20 0 FAADLP C[NH+]1CCN(CCCS(=O)(=O)NCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000920527427 658086941 /nfs/dbraw/zinc/08/69/41/658086941.db2.gz OYJGXWQHCYNNEG-UHFFFAOYSA-N 2 2 361.512 -1.683 20 0 FAADLP C[NH+]1CC[C@@H]1CNS(=O)(=O)CCCS(=O)(=O)NC[C@H]1CC[N@@H+]1C ZINC000921413547 658088675 /nfs/dbraw/zinc/08/86/75/658088675.db2.gz OCMWLIKZLREEPY-CHWSQXEVSA-N 2 2 368.525 -1.377 20 0 FAADLP C[NH+]1CC[C@@H]1CNS(=O)(=O)CCCS(=O)(=O)NC[C@H]1CC[N@H+]1C ZINC000921413547 658088666 /nfs/dbraw/zinc/08/86/66/658088666.db2.gz OCMWLIKZLREEPY-CHWSQXEVSA-N 2 2 368.525 -1.377 20 0 FAADLP C[NH+]1CC[C@H]1CNS(=O)(=O)CCCS(=O)(=O)NC[C@@H]1CC[N@@H+]1C ZINC000921413548 658088198 /nfs/dbraw/zinc/08/81/98/658088198.db2.gz OCMWLIKZLREEPY-STQMWFEESA-N 2 2 368.525 -1.377 20 0 FAADLP C[NH+]1CC[C@H]1CNS(=O)(=O)CCCS(=O)(=O)NC[C@@H]1CC[N@H+]1C ZINC000921413548 658088189 /nfs/dbraw/zinc/08/81/89/658088189.db2.gz OCMWLIKZLREEPY-STQMWFEESA-N 2 2 368.525 -1.377 20 0 FAADLP O=C(C(=O)N1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1)N1CCOCC1 ZINC000923302018 658422388 /nfs/dbraw/zinc/42/23/88/658422388.db2.gz PGTNQGWTKZOGEP-AWEZNQCLSA-N 2 2 352.435 -1.632 20 0 FAADLP O=C(C(=O)N1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1)N1CCOCC1 ZINC000923302021 658422127 /nfs/dbraw/zinc/42/21/27/658422127.db2.gz PGTNQGWTKZOGEP-CQSZACIVSA-N 2 2 352.435 -1.632 20 0 FAADLP CC[NH+]1CCN(C(=O)[C@H](C)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000923434213 658422841 /nfs/dbraw/zinc/42/28/41/658422841.db2.gz SLIIVJBSKKALLQ-AWEZNQCLSA-N 2 2 373.523 -1.542 20 0 FAADLP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000923434214 658422963 /nfs/dbraw/zinc/42/29/63/658422963.db2.gz SLIIVJBSKKALLQ-CQSZACIVSA-N 2 2 373.523 -1.542 20 0 FAADLP O=S(=O)(NCCC[NH+]1CCN(c2ncccn2)CC1)N1CC[NH2+]CC1 ZINC000923581301 658425377 /nfs/dbraw/zinc/42/53/77/658425377.db2.gz CAZKPDZJUQNROQ-UHFFFAOYSA-N 2 2 369.495 -1.272 20 0 FAADLP Cn1ncc2c1nc[nH+]c2N1CCN(S(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000923586873 658425165 /nfs/dbraw/zinc/42/51/65/658425165.db2.gz SRSPDXTUPCZDGR-UHFFFAOYSA-N 2 2 366.451 -1.365 20 0 FAADLP O=S(=O)(C1C[NH2+]C1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000923617225 658760943 /nfs/dbraw/zinc/76/09/43/658760943.db2.gz NYCYABLSJLEEBB-UHFFFAOYSA-N 2 2 368.463 -1.263 20 0 FAADLP O=S(=O)(C1C[NH2+]C1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000923617225 658760937 /nfs/dbraw/zinc/76/09/37/658760937.db2.gz NYCYABLSJLEEBB-UHFFFAOYSA-N 2 2 368.463 -1.263 20 0 FAADLP [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000926287612 658794757 /nfs/dbraw/zinc/79/47/57/658794757.db2.gz WDPQZEIZCKJUAI-PBHICJAKSA-N 2 2 354.451 -1.378 20 0 FAADLP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000926287614 658794422 /nfs/dbraw/zinc/79/44/22/658794422.db2.gz WDPQZEIZCKJUAI-RHSMWYFYSA-N 2 2 354.451 -1.378 20 0 FAADLP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000926287616 658794854 /nfs/dbraw/zinc/79/48/54/658794854.db2.gz WDPQZEIZCKJUAI-WMLDXEAASA-N 2 2 354.451 -1.378 20 0 FAADLP [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000926287618 658795612 /nfs/dbraw/zinc/79/56/12/658795612.db2.gz WDPQZEIZCKJUAI-YOEHRIQHSA-N 2 2 354.451 -1.378 20 0 FAADLP CC[C@H]1CN(C(=O)C(=O)N2CCNCC[NH2+]CC2)CC[N@H+]1CCOC ZINC000926331836 657268157 /nfs/dbraw/zinc/26/81/57/657268157.db2.gz KZKONZLHAATHEC-HNNXBMFYSA-N 2 2 355.483 -1.423 20 0 FAADLP CC[C@H]1CN(C(=O)C(=O)N2CCNCC[NH2+]CC2)CC[N@@H+]1CCOC ZINC000926331836 657268156 /nfs/dbraw/zinc/26/81/56/657268156.db2.gz KZKONZLHAATHEC-HNNXBMFYSA-N 2 2 355.483 -1.423 20 0 FAADLP CC[C@@H]1CN(C(=O)C(=O)N2CCNCC[NH2+]CC2)CC[N@H+]1CCOC ZINC000926331838 657268110 /nfs/dbraw/zinc/26/81/10/657268110.db2.gz KZKONZLHAATHEC-OAHLLOKOSA-N 2 2 355.483 -1.423 20 0 FAADLP CC[C@@H]1CN(C(=O)C(=O)N2CCNCC[NH2+]CC2)CC[N@@H+]1CCOC ZINC000926331838 657268108 /nfs/dbraw/zinc/26/81/08/657268108.db2.gz KZKONZLHAATHEC-OAHLLOKOSA-N 2 2 355.483 -1.423 20 0 FAADLP CC[C@H]1CN(C(=O)C(=O)N2CCNCC[NH2+]CC2)CC[N@H+]1C[C@@H](C)O ZINC000926333365 658795545 /nfs/dbraw/zinc/79/55/45/658795545.db2.gz QZOGYPIQRCOYCM-CABCVRRESA-N 2 2 355.483 -1.689 20 0 FAADLP CC[C@H]1CN(C(=O)C(=O)N2CCNCC[NH2+]CC2)CC[N@@H+]1C[C@@H](C)O ZINC000926333365 658795542 /nfs/dbraw/zinc/79/55/42/658795542.db2.gz QZOGYPIQRCOYCM-CABCVRRESA-N 2 2 355.483 -1.689 20 0 FAADLP CC[C@H]1CN(C(=O)C(=O)N2CCNCC[NH2+]CC2)CC[N@H+]1C[C@H](C)O ZINC000926333367 658795408 /nfs/dbraw/zinc/79/54/08/658795408.db2.gz QZOGYPIQRCOYCM-GJZGRUSLSA-N 2 2 355.483 -1.689 20 0 FAADLP CC[C@H]1CN(C(=O)C(=O)N2CCNCC[NH2+]CC2)CC[N@@H+]1C[C@H](C)O ZINC000926333367 658795405 /nfs/dbraw/zinc/79/54/05/658795405.db2.gz QZOGYPIQRCOYCM-GJZGRUSLSA-N 2 2 355.483 -1.689 20 0 FAADLP CC[C@@H]1CN(C(=O)C(=O)N2CCNCC[NH2+]CC2)CC[N@H+]1C[C@@H](C)O ZINC000926333368 658796645 /nfs/dbraw/zinc/79/66/45/658796645.db2.gz QZOGYPIQRCOYCM-HUUCEWRRSA-N 2 2 355.483 -1.689 20 0 FAADLP CC[C@@H]1CN(C(=O)C(=O)N2CCNCC[NH2+]CC2)CC[N@@H+]1C[C@@H](C)O ZINC000926333368 658796642 /nfs/dbraw/zinc/79/66/42/658796642.db2.gz QZOGYPIQRCOYCM-HUUCEWRRSA-N 2 2 355.483 -1.689 20 0 FAADLP CC[C@@H]1CN(C(=O)C(=O)N2CCNCC[NH2+]CC2)CC[N@H+]1C[C@H](C)O ZINC000926333370 658796281 /nfs/dbraw/zinc/79/62/81/658796281.db2.gz QZOGYPIQRCOYCM-LSDHHAIUSA-N 2 2 355.483 -1.689 20 0 FAADLP CC[C@@H]1CN(C(=O)C(=O)N2CCNCC[NH2+]CC2)CC[N@@H+]1C[C@H](C)O ZINC000926333370 658796277 /nfs/dbraw/zinc/79/62/77/658796277.db2.gz QZOGYPIQRCOYCM-LSDHHAIUSA-N 2 2 355.483 -1.689 20 0 FAADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C[C@H](C)O1 ZINC000926341385 658796554 /nfs/dbraw/zinc/79/65/54/658796554.db2.gz NXTSAAJFAGDFPP-JKIFEVAISA-N 2 2 356.467 -1.134 20 0 FAADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C[C@H](C)O1 ZINC000926341385 658796551 /nfs/dbraw/zinc/79/65/51/658796551.db2.gz NXTSAAJFAGDFPP-JKIFEVAISA-N 2 2 356.467 -1.134 20 0 FAADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C[C@H](C)O1 ZINC000926341387 658796424 /nfs/dbraw/zinc/79/64/24/658796424.db2.gz NXTSAAJFAGDFPP-VBQJREDUSA-N 2 2 356.467 -1.134 20 0 FAADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C[C@H](C)O1 ZINC000926341387 658796418 /nfs/dbraw/zinc/79/64/18/658796418.db2.gz NXTSAAJFAGDFPP-VBQJREDUSA-N 2 2 356.467 -1.134 20 0 FAADLP O=C(C(=O)N1CCNCC[NH2+]CC1)N1CC[NH+](C2CCOCC2)CC1 ZINC000926342642 657268890 /nfs/dbraw/zinc/26/88/90/657268890.db2.gz AQMFKYZAOPLKGS-UHFFFAOYSA-N 2 2 353.467 -1.669 20 0 FAADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC000926345168 658796613 /nfs/dbraw/zinc/79/66/13/658796613.db2.gz BZIREDPPLWBTMC-KRWDZBQOSA-N 2 2 356.467 -1.132 20 0 FAADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC1 ZINC000926345170 658796461 /nfs/dbraw/zinc/79/64/61/658796461.db2.gz BZIREDPPLWBTMC-QGZVFWFLSA-N 2 2 356.467 -1.132 20 0 FAADLP C[C@H]1CN(C(=O)C(=O)N2CCNCC[NH2+]CC2)CC[N@H+]1CC(C)(C)O ZINC000926354956 658796519 /nfs/dbraw/zinc/79/65/19/658796519.db2.gz LQRJWOUBIXQERO-AWEZNQCLSA-N 2 2 355.483 -1.689 20 0 FAADLP C[C@H]1CN(C(=O)C(=O)N2CCNCC[NH2+]CC2)CC[N@@H+]1CC(C)(C)O ZINC000926354956 658796517 /nfs/dbraw/zinc/79/65/17/658796517.db2.gz LQRJWOUBIXQERO-AWEZNQCLSA-N 2 2 355.483 -1.689 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)N2CCNCC[NH2+]CC2)CC[N@H+]1CC(C)(C)O ZINC000926354957 658796604 /nfs/dbraw/zinc/79/66/04/658796604.db2.gz LQRJWOUBIXQERO-CQSZACIVSA-N 2 2 355.483 -1.689 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)N2CCNCC[NH2+]CC2)CC[N@@H+]1CC(C)(C)O ZINC000926354957 658796599 /nfs/dbraw/zinc/79/65/99/658796599.db2.gz LQRJWOUBIXQERO-CQSZACIVSA-N 2 2 355.483 -1.689 20 0 FAADLP O=C(C(=O)N1CCNCC[NH2+]CC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000926356899 658796369 /nfs/dbraw/zinc/79/63/69/658796369.db2.gz QOBBRGMHWQJXEH-HNNXBMFYSA-N 2 2 353.467 -1.812 20 0 FAADLP O=C(C(=O)N1CCNCC[NH2+]CC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000926356900 658796336 /nfs/dbraw/zinc/79/63/36/658796336.db2.gz QOBBRGMHWQJXEH-OAHLLOKOSA-N 2 2 353.467 -1.812 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C[C@H]1[NH+]1CCOCC1 ZINC000926362126 658797242 /nfs/dbraw/zinc/79/72/42/658797242.db2.gz XXDVWIPAMOTPJN-CKEIUWERSA-N 2 2 354.451 -1.522 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C[C@H]1[NH+]1CCOCC1 ZINC000926362129 658797082 /nfs/dbraw/zinc/79/70/82/658797082.db2.gz XXDVWIPAMOTPJN-CPUCHLNUSA-N 2 2 354.451 -1.522 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000926362131 658797377 /nfs/dbraw/zinc/79/73/77/658797377.db2.gz XXDVWIPAMOTPJN-JKIFEVAISA-N 2 2 354.451 -1.522 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000926362132 658797277 /nfs/dbraw/zinc/79/72/77/658797277.db2.gz XXDVWIPAMOTPJN-KEYYUXOJSA-N 2 2 354.451 -1.522 20 0 FAADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000926366089 657269429 /nfs/dbraw/zinc/26/94/29/657269429.db2.gz ZXSXVTDELPNIJU-AWEZNQCLSA-N 2 2 355.483 -1.689 20 0 FAADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000926366089 657269424 /nfs/dbraw/zinc/26/94/24/657269424.db2.gz ZXSXVTDELPNIJU-AWEZNQCLSA-N 2 2 355.483 -1.689 20 0 FAADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000926366090 657269407 /nfs/dbraw/zinc/26/94/07/657269407.db2.gz ZXSXVTDELPNIJU-CQSZACIVSA-N 2 2 355.483 -1.689 20 0 FAADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000926366090 657269405 /nfs/dbraw/zinc/26/94/05/657269405.db2.gz ZXSXVTDELPNIJU-CQSZACIVSA-N 2 2 355.483 -1.689 20 0 FAADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CC1 ZINC000926377000 657269416 /nfs/dbraw/zinc/26/94/16/657269416.db2.gz GDCAZTNVLTUJBH-AWEZNQCLSA-N 2 2 356.467 -1.011 20 0 FAADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CC1 ZINC000926377009 657269334 /nfs/dbraw/zinc/26/93/34/657269334.db2.gz GDCAZTNVLTUJBH-CQSZACIVSA-N 2 2 356.467 -1.011 20 0 FAADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCNCC[NH2+]CC2)CC1 ZINC000926386112 658797191 /nfs/dbraw/zinc/79/71/91/658797191.db2.gz LBBSECADBDUESV-UHFFFAOYSA-N 2 2 355.483 -1.423 20 0 FAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000926405675 658797140 /nfs/dbraw/zinc/79/71/40/658797140.db2.gz IACSBNSAFYZQNS-RRFJBIMHSA-N 2 2 354.451 -1.652 20 0 FAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000926405676 658796976 /nfs/dbraw/zinc/79/69/76/658796976.db2.gz IACSBNSAFYZQNS-SOUVJXGZSA-N 2 2 354.451 -1.652 20 0 FAADLP CN(CCCN(C)C(=O)C(=O)N1CCNCC[NH2+]CC1)CC[NH+](C)C ZINC000926406244 658797332 /nfs/dbraw/zinc/79/73/32/658797332.db2.gz INSRZLCFXMJWPG-UHFFFAOYSA-N 2 2 356.515 -1.650 20 0 FAADLP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000926406244 658797327 /nfs/dbraw/zinc/79/73/27/658797327.db2.gz INSRZLCFXMJWPG-UHFFFAOYSA-N 2 2 356.515 -1.650 20 0 FAADLP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000926406244 658797320 /nfs/dbraw/zinc/79/73/20/658797320.db2.gz INSRZLCFXMJWPG-UHFFFAOYSA-N 2 2 356.515 -1.650 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CC[C@H]1C[NH3+] ZINC000926415355 658798177 /nfs/dbraw/zinc/79/81/77/658798177.db2.gz IHZCMNQHBHLQPS-ILXRZTDVSA-N 2 2 356.467 -1.419 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CC[C@@H]1C[NH3+] ZINC000926415369 658798078 /nfs/dbraw/zinc/79/80/78/658798078.db2.gz IHZCMNQHBHLQPS-KFWWJZLASA-N 2 2 356.467 -1.419 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CC[C@H]1C[NH3+] ZINC000926415371 658797956 /nfs/dbraw/zinc/79/79/56/658797956.db2.gz IHZCMNQHBHLQPS-QLFBSQMISA-N 2 2 356.467 -1.419 20 0 FAADLP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CC[C@@H]1C[NH3+] ZINC000926415373 658798194 /nfs/dbraw/zinc/79/81/94/658798194.db2.gz IHZCMNQHBHLQPS-RBSFLKMASA-N 2 2 356.467 -1.419 20 0 FAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000926424497 658798115 /nfs/dbraw/zinc/79/81/15/658798115.db2.gz NSOSJHXFOOUPFM-RRFJBIMHSA-N 2 2 354.451 -1.794 20 0 FAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000926424499 658798123 /nfs/dbraw/zinc/79/81/23/658798123.db2.gz NSOSJHXFOOUPFM-ZNMIVQPWSA-N 2 2 354.451 -1.794 20 0 FAADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC000929453747 658801393 /nfs/dbraw/zinc/80/13/93/658801393.db2.gz IYXNQKIYBMHRES-AWEZNQCLSA-N 2 2 353.467 -1.087 20 0 FAADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000929453747 658801381 /nfs/dbraw/zinc/80/13/81/658801381.db2.gz IYXNQKIYBMHRES-AWEZNQCLSA-N 2 2 353.467 -1.087 20 0 FAADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC000929453750 658801592 /nfs/dbraw/zinc/80/15/92/658801592.db2.gz IYXNQKIYBMHRES-CQSZACIVSA-N 2 2 353.467 -1.087 20 0 FAADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC000929453750 658801579 /nfs/dbraw/zinc/80/15/79/658801579.db2.gz IYXNQKIYBMHRES-CQSZACIVSA-N 2 2 353.467 -1.087 20 0 FAADLP CC(=O)N[C@@H]1CC[NH+](CC(=O)NC[C@H](C)[N@H+]2CC[C@@H](NC(C)=O)C2)C1 ZINC000930748895 658805843 /nfs/dbraw/zinc/80/58/43/658805843.db2.gz PPODXUHSYUWBRI-APHBMKBZSA-N 2 2 353.467 -1.088 20 0 FAADLP CC(=O)N[C@@H]1CC[NH+](CC(=O)NC[C@H](C)[N@@H+]2CC[C@@H](NC(C)=O)C2)C1 ZINC000930748895 658805830 /nfs/dbraw/zinc/80/58/30/658805830.db2.gz PPODXUHSYUWBRI-APHBMKBZSA-N 2 2 353.467 -1.088 20 0 FAADLP CC(=O)N[C@@H]1CC[NH+]([C@@H](C)CNC(=O)C[N@H+]2CC[C@@H](NC(C)=O)C2)C1 ZINC000930748895 658805815 /nfs/dbraw/zinc/80/58/15/658805815.db2.gz PPODXUHSYUWBRI-APHBMKBZSA-N 2 2 353.467 -1.088 20 0 FAADLP CC(=O)N[C@@H]1CC[NH+]([C@@H](C)CNC(=O)C[N@@H+]2CC[C@@H](NC(C)=O)C2)C1 ZINC000930748895 658805801 /nfs/dbraw/zinc/80/58/01/658805801.db2.gz PPODXUHSYUWBRI-APHBMKBZSA-N 2 2 353.467 -1.088 20 0 FAADLP CC(=O)N[C@@H]1CC[NH+](CC(=O)NC[C@@H](C)[N@H+]2CC[C@@H](NC(C)=O)C2)C1 ZINC000930748897 658806888 /nfs/dbraw/zinc/80/68/88/658806888.db2.gz PPODXUHSYUWBRI-DAXOMENPSA-N 2 2 353.467 -1.088 20 0 FAADLP CC(=O)N[C@@H]1CC[NH+](CC(=O)NC[C@@H](C)[N@@H+]2CC[C@@H](NC(C)=O)C2)C1 ZINC000930748897 658806873 /nfs/dbraw/zinc/80/68/73/658806873.db2.gz PPODXUHSYUWBRI-DAXOMENPSA-N 2 2 353.467 -1.088 20 0 FAADLP CC(=O)N[C@@H]1CC[NH+]([C@H](C)CNC(=O)C[N@H+]2CC[C@@H](NC(C)=O)C2)C1 ZINC000930748897 658806857 /nfs/dbraw/zinc/80/68/57/658806857.db2.gz PPODXUHSYUWBRI-DAXOMENPSA-N 2 2 353.467 -1.088 20 0 FAADLP CC(=O)N[C@@H]1CC[NH+]([C@H](C)CNC(=O)C[N@@H+]2CC[C@@H](NC(C)=O)C2)C1 ZINC000930748897 658806842 /nfs/dbraw/zinc/80/68/42/658806842.db2.gz PPODXUHSYUWBRI-DAXOMENPSA-N 2 2 353.467 -1.088 20 0 FAADLP 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C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)O1 ZINC000973987792 657770754 /nfs/dbraw/zinc/77/07/54/657770754.db2.gz GGTYYVBMKFYUMX-NIFZNCRKSA-N 2 2 354.451 -1.201 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)O1 ZINC000973987792 657770748 /nfs/dbraw/zinc/77/07/48/657770748.db2.gz GGTYYVBMKFYUMX-NIFZNCRKSA-N 2 2 354.451 -1.201 20 0 FAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[NH+](C)CCO3)C2)O1 ZINC000973987792 657770739 /nfs/dbraw/zinc/77/07/39/657770739.db2.gz GGTYYVBMKFYUMX-NIFZNCRKSA-N 2 2 354.451 -1.201 20 0 FAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[NH+](C)CCO3)C2)O1 ZINC000973987792 657770731 /nfs/dbraw/zinc/77/07/31/657770731.db2.gz GGTYYVBMKFYUMX-NIFZNCRKSA-N 2 2 354.451 -1.201 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)O1 ZINC000973987795 657770851 /nfs/dbraw/zinc/77/08/51/657770851.db2.gz GGTYYVBMKFYUMX-UXXRCYHCSA-N 2 2 354.451 -1.201 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)O1 ZINC000973987795 657770847 /nfs/dbraw/zinc/77/08/47/657770847.db2.gz GGTYYVBMKFYUMX-UXXRCYHCSA-N 2 2 354.451 -1.201 20 0 FAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[NH+](C)CCO3)C2)O1 ZINC000973987795 657770840 /nfs/dbraw/zinc/77/08/40/657770840.db2.gz GGTYYVBMKFYUMX-UXXRCYHCSA-N 2 2 354.451 -1.201 20 0 FAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[NH+](C)CCO3)C2)O1 ZINC000973987795 657770835 /nfs/dbraw/zinc/77/08/35/657770835.db2.gz GGTYYVBMKFYUMX-UXXRCYHCSA-N 2 2 354.451 -1.201 20 0 FAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)O1 ZINC000984016903 657862606 /nfs/dbraw/zinc/86/26/06/657862606.db2.gz WRUFAEKLJUHWLD-FDYHWXHSSA-N 2 2 352.439 -1.188 20 0 FAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)O1 ZINC000984016903 657862592 /nfs/dbraw/zinc/86/25/92/657862592.db2.gz 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NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000999770959 658355287 /nfs/dbraw/zinc/35/52/87/658355287.db2.gz NWZQNZPOWJSRPW-ZNMIVQPWSA-N 2 2 354.451 -1.068 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC(CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)O1 ZINC001001297003 659348849 /nfs/dbraw/zinc/34/88/49/659348849.db2.gz PMYJKCDWUYFJIV-BPLDGKMQSA-N 2 2 354.451 -1.389 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC(CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)O1 ZINC001001297003 659348841 /nfs/dbraw/zinc/34/88/41/659348841.db2.gz PMYJKCDWUYFJIV-BPLDGKMQSA-N 2 2 354.451 -1.389 20 0 FAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(CNC(=O)[C@H]3C[NH+](C)CCO3)C2)O1 ZINC001001297003 659348836 /nfs/dbraw/zinc/34/88/36/659348836.db2.gz PMYJKCDWUYFJIV-BPLDGKMQSA-N 2 2 354.451 -1.389 20 0 FAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(CNC(=O)[C@H]3C[NH+](C)CCO3)C2)O1 ZINC001001297003 659348830 /nfs/dbraw/zinc/34/88/30/659348830.db2.gz PMYJKCDWUYFJIV-BPLDGKMQSA-N 2 2 354.451 -1.389 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)O1 ZINC001001297005 659348532 /nfs/dbraw/zinc/34/85/32/659348532.db2.gz PMYJKCDWUYFJIV-VHDGCEQUSA-N 2 2 354.451 -1.389 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC(CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)O1 ZINC001001297005 659348524 /nfs/dbraw/zinc/34/85/24/659348524.db2.gz PMYJKCDWUYFJIV-VHDGCEQUSA-N 2 2 354.451 -1.389 20 0 FAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(CNC(=O)[C@@H]3C[NH+](C)CCO3)C2)O1 ZINC001001297005 659348516 /nfs/dbraw/zinc/34/85/16/659348516.db2.gz PMYJKCDWUYFJIV-VHDGCEQUSA-N 2 2 354.451 -1.389 20 0 FAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(CNC(=O)[C@@H]3C[NH+](C)CCO3)C2)O1 ZINC001001297005 659348510 /nfs/dbraw/zinc/34/85/10/659348510.db2.gz PMYJKCDWUYFJIV-VHDGCEQUSA-N 2 2 354.451 -1.389 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)O1 ZINC001002884337 658377180 /nfs/dbraw/zinc/37/71/80/658377180.db2.gz OPHXJISEXIWLAY-BPLDGKMQSA-N 2 2 354.451 -1.389 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)O1 ZINC001002884337 658377169 /nfs/dbraw/zinc/37/71/69/658377169.db2.gz OPHXJISEXIWLAY-BPLDGKMQSA-N 2 2 354.451 -1.389 20 0 FAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)O1 ZINC001002884337 658377156 /nfs/dbraw/zinc/37/71/56/658377156.db2.gz OPHXJISEXIWLAY-BPLDGKMQSA-N 2 2 354.451 -1.389 20 0 FAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)O1 ZINC001002884337 658377142 /nfs/dbraw/zinc/37/71/42/658377142.db2.gz OPHXJISEXIWLAY-BPLDGKMQSA-N 2 2 354.451 -1.389 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)O1 ZINC001002884338 658377902 /nfs/dbraw/zinc/37/79/02/658377902.db2.gz OPHXJISEXIWLAY-YUELXQCFSA-N 2 2 354.451 -1.389 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)O1 ZINC001002884338 658377893 /nfs/dbraw/zinc/37/78/93/658377893.db2.gz OPHXJISEXIWLAY-YUELXQCFSA-N 2 2 354.451 -1.389 20 0 FAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)O1 ZINC001002884338 658377879 /nfs/dbraw/zinc/37/78/79/658377879.db2.gz OPHXJISEXIWLAY-YUELXQCFSA-N 2 2 354.451 -1.389 20 0 FAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)O1 ZINC001002884338 658377866 /nfs/dbraw/zinc/37/78/66/658377866.db2.gz OPHXJISEXIWLAY-YUELXQCFSA-N 2 2 354.451 -1.389 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)O1 ZINC001010878702 659211016 /nfs/dbraw/zinc/21/10/16/659211016.db2.gz QTSKBOHZLHDDOG-QLFBSQMISA-N 2 2 354.451 -1.293 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)O1 ZINC001010878702 659211010 /nfs/dbraw/zinc/21/10/10/659211010.db2.gz QTSKBOHZLHDDOG-QLFBSQMISA-N 2 2 354.451 -1.293 20 0 FAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)O1 ZINC001010878702 659211008 /nfs/dbraw/zinc/21/10/08/659211008.db2.gz QTSKBOHZLHDDOG-QLFBSQMISA-N 2 2 354.451 -1.293 20 0 FAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)O1 ZINC001010878702 659210996 /nfs/dbraw/zinc/21/09/96/659210996.db2.gz QTSKBOHZLHDDOG-QLFBSQMISA-N 2 2 354.451 -1.293 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)O1 ZINC001010878704 659211325 /nfs/dbraw/zinc/21/13/25/659211325.db2.gz QTSKBOHZLHDDOG-RBSFLKMASA-N 2 2 354.451 -1.293 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)O1 ZINC001010878704 659211318 /nfs/dbraw/zinc/21/13/18/659211318.db2.gz QTSKBOHZLHDDOG-RBSFLKMASA-N 2 2 354.451 -1.293 20 0 FAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)O1 ZINC001010878704 659211316 /nfs/dbraw/zinc/21/13/16/659211316.db2.gz QTSKBOHZLHDDOG-RBSFLKMASA-N 2 2 354.451 -1.293 20 0 FAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)O1 ZINC001010878704 659211311 /nfs/dbraw/zinc/21/13/11/659211311.db2.gz QTSKBOHZLHDDOG-RBSFLKMASA-N 2 2 354.451 -1.293 20 0 FAADLP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCNC(=O)C3)C2)CC[NH+]1C ZINC001014477035 659215997 /nfs/dbraw/zinc/21/59/97/659215997.db2.gz UYWPMKFWHCLCGB-HZSPNIEDSA-N 2 2 351.451 -1.525 20 0 FAADLP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCNC(=O)C3)C2)CC[NH+]1C ZINC001014477035 659215993 /nfs/dbraw/zinc/21/59/93/659215993.db2.gz UYWPMKFWHCLCGB-HZSPNIEDSA-N 2 2 351.451 -1.525 20 0 FAADLP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)N3CCNC(=O)C3)C2)CC[N@H+]1C ZINC001014477035 659215991 /nfs/dbraw/zinc/21/59/91/659215991.db2.gz UYWPMKFWHCLCGB-HZSPNIEDSA-N 2 2 351.451 -1.525 20 0 FAADLP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)N3CCNC(=O)C3)C2)CC[N@@H+]1C ZINC001014477035 659215987 /nfs/dbraw/zinc/21/59/87/659215987.db2.gz UYWPMKFWHCLCGB-HZSPNIEDSA-N 2 2 351.451 -1.525 20 0 FAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCNC(=O)C3)C2)CC[NH+]1C ZINC001014477037 659215780 /nfs/dbraw/zinc/21/57/80/659215780.db2.gz UYWPMKFWHCLCGB-MGPQQGTHSA-N 2 2 351.451 -1.525 20 0 FAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCNC(=O)C3)C2)CC[NH+]1C ZINC001014477037 659215777 /nfs/dbraw/zinc/21/57/77/659215777.db2.gz UYWPMKFWHCLCGB-MGPQQGTHSA-N 2 2 351.451 -1.525 20 0 FAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](CC(=O)N3CCNC(=O)C3)C2)CC[N@H+]1C ZINC001014477037 659215775 /nfs/dbraw/zinc/21/57/75/659215775.db2.gz UYWPMKFWHCLCGB-MGPQQGTHSA-N 2 2 351.451 -1.525 20 0 FAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](CC(=O)N3CCNC(=O)C3)C2)CC[N@@H+]1C ZINC001014477037 659215768 /nfs/dbraw/zinc/21/57/68/659215768.db2.gz UYWPMKFWHCLCGB-MGPQQGTHSA-N 2 2 351.451 -1.525 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C2)O1 ZINC001014922058 659216366 /nfs/dbraw/zinc/21/63/66/659216366.db2.gz YZWKQRQJTJYMNZ-FRRDWIJNSA-N 2 2 353.423 -1.552 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CC[N@H+](CCN3C(=O)CNC3=O)C2)O1 ZINC001014922058 659216364 /nfs/dbraw/zinc/21/63/64/659216364.db2.gz YZWKQRQJTJYMNZ-FRRDWIJNSA-N 2 2 353.423 -1.552 20 0 FAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[NH+](CCN3C(=O)CNC3=O)C2)O1 ZINC001014922058 659216361 /nfs/dbraw/zinc/21/63/61/659216361.db2.gz YZWKQRQJTJYMNZ-FRRDWIJNSA-N 2 2 353.423 -1.552 20 0 FAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[NH+](CCN3C(=O)CNC3=O)C2)O1 ZINC001014922058 659216357 /nfs/dbraw/zinc/21/63/57/659216357.db2.gz YZWKQRQJTJYMNZ-FRRDWIJNSA-N 2 2 353.423 -1.552 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C2)O1 ZINC001014922059 659216502 /nfs/dbraw/zinc/21/65/02/659216502.db2.gz YZWKQRQJTJYMNZ-JHJVBQTASA-N 2 2 353.423 -1.552 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CC[N@H+](CCN3C(=O)CNC3=O)C2)O1 ZINC001014922059 659216499 /nfs/dbraw/zinc/21/64/99/659216499.db2.gz YZWKQRQJTJYMNZ-JHJVBQTASA-N 2 2 353.423 -1.552 20 0 FAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CC[NH+](CCN3C(=O)CNC3=O)C2)O1 ZINC001014922059 659216497 /nfs/dbraw/zinc/21/64/97/659216497.db2.gz YZWKQRQJTJYMNZ-JHJVBQTASA-N 2 2 353.423 -1.552 20 0 FAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CC[NH+](CCN3C(=O)CNC3=O)C2)O1 ZINC001014922059 659216495 /nfs/dbraw/zinc/21/64/95/659216495.db2.gz YZWKQRQJTJYMNZ-JHJVBQTASA-N 2 2 353.423 -1.552 20 0 FAADLP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1)C(N)=O ZINC001020421088 657104731 /nfs/dbraw/zinc/10/47/31/657104731.db2.gz CGYAIRQZFGDJBP-LXFSFDBISA-N 2 2 354.451 -1.023 20 0 FAADLP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1)C(N)=O ZINC001020421089 657104898 /nfs/dbraw/zinc/10/48/98/657104898.db2.gz CGYAIRQZFGDJBP-RYPNDVFKSA-N 2 2 354.451 -1.023 20 0 FAADLP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1)C(N)=O ZINC001022472671 657266374 /nfs/dbraw/zinc/26/63/74/657266374.db2.gz CGYAIRQZFGDJBP-AHDPXTMNSA-N 2 2 354.451 -1.023 20 0 FAADLP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1)C(N)=O ZINC001022472672 657266315 /nfs/dbraw/zinc/26/63/15/657266315.db2.gz CGYAIRQZFGDJBP-QMIVOQANSA-N 2 2 354.451 -1.023 20 0 FAADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1O ZINC001023213128 657318933 /nfs/dbraw/zinc/31/89/33/657318933.db2.gz ZJXCBYBDOJVAEN-QLFBSQMISA-N 2 2 354.451 -1.509 20 0 FAADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1O ZINC001023213128 657318926 /nfs/dbraw/zinc/31/89/26/657318926.db2.gz ZJXCBYBDOJVAEN-QLFBSQMISA-N 2 2 354.451 -1.509 20 0 FAADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1O ZINC001023213129 657318397 /nfs/dbraw/zinc/31/83/97/657318397.db2.gz ZJXCBYBDOJVAEN-RBSFLKMASA-N 2 2 354.451 -1.509 20 0 FAADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1O ZINC001023213129 657318389 /nfs/dbraw/zinc/31/83/89/657318389.db2.gz ZJXCBYBDOJVAEN-RBSFLKMASA-N 2 2 354.451 -1.509 20 0 FAADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001023282340 657329485 /nfs/dbraw/zinc/32/94/85/657329485.db2.gz AVYYSYYLGVUDKS-MCIONIFRSA-N 2 2 351.407 -1.790 20 0 FAADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001023282340 657329481 /nfs/dbraw/zinc/32/94/81/657329481.db2.gz AVYYSYYLGVUDKS-MCIONIFRSA-N 2 2 351.407 -1.790 20 0 FAADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001023282341 657329170 /nfs/dbraw/zinc/32/91/70/657329170.db2.gz AVYYSYYLGVUDKS-MGPQQGTHSA-N 2 2 351.407 -1.790 20 0 FAADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001023282341 657329166 /nfs/dbraw/zinc/32/91/66/657329166.db2.gz AVYYSYYLGVUDKS-MGPQQGTHSA-N 2 2 351.407 -1.790 20 0 FAADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001023283781 657326864 /nfs/dbraw/zinc/32/68/64/657326864.db2.gz XZDMNTDRCMOLJA-MCIONIFRSA-N 2 2 351.407 -1.790 20 0 FAADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001023283781 657326856 /nfs/dbraw/zinc/32/68/56/657326856.db2.gz XZDMNTDRCMOLJA-MCIONIFRSA-N 2 2 351.407 -1.790 20 0 FAADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001023283782 657327001 /nfs/dbraw/zinc/32/70/01/657327001.db2.gz XZDMNTDRCMOLJA-MGPQQGTHSA-N 2 2 351.407 -1.790 20 0 FAADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001023283782 657326994 /nfs/dbraw/zinc/32/69/94/657326994.db2.gz XZDMNTDRCMOLJA-MGPQQGTHSA-N 2 2 351.407 -1.790 20 0 FAADLP C[NH+](C)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CCC1 ZINC001023283806 657326516 /nfs/dbraw/zinc/32/65/16/657326516.db2.gz YYEBWQNNKDKBPV-MCIONIFRSA-N 2 2 354.451 -1.511 20 0 FAADLP C[NH+](C)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)CCC1 ZINC001023283806 657326512 /nfs/dbraw/zinc/32/65/12/657326512.db2.gz YYEBWQNNKDKBPV-MCIONIFRSA-N 2 2 354.451 -1.511 20 0 FAADLP C[NH+](C)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)CCC1 ZINC001023283807 657326938 /nfs/dbraw/zinc/32/69/38/657326938.db2.gz YYEBWQNNKDKBPV-MGPQQGTHSA-N 2 2 354.451 -1.511 20 0 FAADLP C[NH+](C)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)CCC1 ZINC001023283807 657326932 /nfs/dbraw/zinc/32/69/32/657326932.db2.gz YYEBWQNNKDKBPV-MGPQQGTHSA-N 2 2 354.451 -1.511 20 0 FAADLP C[NH+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1)C1CCC1 ZINC001023285225 657330095 /nfs/dbraw/zinc/33/00/95/657330095.db2.gz WZFICEQLEIFOFD-KFWWJZLASA-N 2 2 354.451 -1.511 20 0 FAADLP C[NH+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1)C1CCC1 ZINC001023285225 657330086 /nfs/dbraw/zinc/33/00/86/657330086.db2.gz WZFICEQLEIFOFD-KFWWJZLASA-N 2 2 354.451 -1.511 20 0 FAADLP C[N@@H+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1)C1CCC1 ZINC001023285225 657330080 /nfs/dbraw/zinc/33/00/80/657330080.db2.gz WZFICEQLEIFOFD-KFWWJZLASA-N 2 2 354.451 -1.511 20 0 FAADLP C[N@H+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1)C1CCC1 ZINC001023285225 657330077 /nfs/dbraw/zinc/33/00/77/657330077.db2.gz WZFICEQLEIFOFD-KFWWJZLASA-N 2 2 354.451 -1.511 20 0 FAADLP C[NH+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1)C1CCC1 ZINC001023285226 657330258 /nfs/dbraw/zinc/33/02/58/657330258.db2.gz WZFICEQLEIFOFD-RBSFLKMASA-N 2 2 354.451 -1.511 20 0 FAADLP C[NH+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1)C1CCC1 ZINC001023285226 657330256 /nfs/dbraw/zinc/33/02/56/657330256.db2.gz WZFICEQLEIFOFD-RBSFLKMASA-N 2 2 354.451 -1.511 20 0 FAADLP C[N@@H+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1)C1CCC1 ZINC001023285226 657330255 /nfs/dbraw/zinc/33/02/55/657330255.db2.gz WZFICEQLEIFOFD-RBSFLKMASA-N 2 2 354.451 -1.511 20 0 FAADLP C[N@H+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1)C1CCC1 ZINC001023285226 657330253 /nfs/dbraw/zinc/33/02/53/657330253.db2.gz WZFICEQLEIFOFD-RBSFLKMASA-N 2 2 354.451 -1.511 20 0 FAADLP O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1O ZINC001023793678 657388618 /nfs/dbraw/zinc/38/86/18/657388618.db2.gz MBMFDTYLECIAGK-HUUCEWRRSA-N 2 2 354.451 -1.508 20 0 FAADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)C1 ZINC001023795151 657388544 /nfs/dbraw/zinc/38/85/44/657388544.db2.gz BONXVRIBKVSSPB-KFWWJZLASA-N 2 2 354.451 -1.509 20 0 FAADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)C1 ZINC001023795151 657388542 /nfs/dbraw/zinc/38/85/42/657388542.db2.gz BONXVRIBKVSSPB-KFWWJZLASA-N 2 2 354.451 -1.509 20 0 FAADLP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)C1 ZINC001023795152 657388718 /nfs/dbraw/zinc/38/87/18/657388718.db2.gz BONXVRIBKVSSPB-RBSFLKMASA-N 2 2 354.451 -1.509 20 0 FAADLP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)C1 ZINC001023795152 657388714 /nfs/dbraw/zinc/38/87/14/657388714.db2.gz BONXVRIBKVSSPB-RBSFLKMASA-N 2 2 354.451 -1.509 20 0 FAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)O1 ZINC001023798758 657390005 /nfs/dbraw/zinc/39/00/05/657390005.db2.gz XSCUFVHAYZUDAP-KBUPBQIOSA-N 2 2 354.451 -1.511 20 0 FAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)O1 ZINC001023798758 657390001 /nfs/dbraw/zinc/39/00/01/657390001.db2.gz XSCUFVHAYZUDAP-KBUPBQIOSA-N 2 2 354.451 -1.511 20 0 FAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1O ZINC001023800011 657389871 /nfs/dbraw/zinc/38/98/71/657389871.db2.gz PCRZNAMLYQBKBC-MCIONIFRSA-N 2 2 351.407 -1.790 20 0 FAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1O ZINC001023800011 657389867 /nfs/dbraw/zinc/38/98/67/657389867.db2.gz PCRZNAMLYQBKBC-MCIONIFRSA-N 2 2 351.407 -1.790 20 0 FAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1O ZINC001023800012 657390031 /nfs/dbraw/zinc/39/00/31/657390031.db2.gz PCRZNAMLYQBKBC-MGPQQGTHSA-N 2 2 351.407 -1.790 20 0 FAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1O ZINC001023800012 657390027 /nfs/dbraw/zinc/39/00/27/657390027.db2.gz PCRZNAMLYQBKBC-MGPQQGTHSA-N 2 2 351.407 -1.790 20 0 FAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2O)O1 ZINC001024390509 657470880 /nfs/dbraw/zinc/47/08/80/657470880.db2.gz NYPILAUJRABXJM-AAVRWANBSA-N 2 2 351.407 -1.710 20 0 FAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2O)O1 ZINC001024390509 657470874 /nfs/dbraw/zinc/47/08/74/657470874.db2.gz NYPILAUJRABXJM-AAVRWANBSA-N 2 2 351.407 -1.710 20 0 FAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3)C2)O1 ZINC001024419629 657474693 /nfs/dbraw/zinc/47/46/93/657474693.db2.gz SKNNGMFTEVJORA-AAVRWANBSA-N 2 2 351.407 -1.710 20 0 FAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3)C2)O1 ZINC001024419629 657474687 /nfs/dbraw/zinc/47/46/87/657474687.db2.gz SKNNGMFTEVJORA-AAVRWANBSA-N 2 2 351.407 -1.710 20 0 FAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1O ZINC001024699255 657543269 /nfs/dbraw/zinc/54/32/69/657543269.db2.gz LZIWQEIDGNKREG-MCIONIFRSA-N 2 2 351.407 -1.790 20 0 FAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1O ZINC001024699255 657543255 /nfs/dbraw/zinc/54/32/55/657543255.db2.gz LZIWQEIDGNKREG-MCIONIFRSA-N 2 2 351.407 -1.790 20 0 FAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1O ZINC001024699256 657543481 /nfs/dbraw/zinc/54/34/81/657543481.db2.gz LZIWQEIDGNKREG-MGPQQGTHSA-N 2 2 351.407 -1.790 20 0 FAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1O ZINC001024699256 657543477 /nfs/dbraw/zinc/54/34/77/657543477.db2.gz LZIWQEIDGNKREG-MGPQQGTHSA-N 2 2 351.407 -1.790 20 0 FAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)O1 ZINC001026916211 657784000 /nfs/dbraw/zinc/78/40/00/657784000.db2.gz DNRCULMEJZPPOI-FRRDWIJNSA-N 2 2 352.439 -1.234 20 0 FAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)O1 ZINC001026916211 657783995 /nfs/dbraw/zinc/78/39/95/657783995.db2.gz DNRCULMEJZPPOI-FRRDWIJNSA-N 2 2 352.439 -1.234 20 0 FAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)O1 ZINC001026916212 657783700 /nfs/dbraw/zinc/78/37/00/657783700.db2.gz DNRCULMEJZPPOI-JHJVBQTASA-N 2 2 352.439 -1.234 20 0 FAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)O1 ZINC001026916212 657783681 /nfs/dbraw/zinc/78/36/81/657783681.db2.gz DNRCULMEJZPPOI-JHJVBQTASA-N 2 2 352.439 -1.234 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3nc(=O)n(C)[nH]3)C2)O1 ZINC001028629971 657851411 /nfs/dbraw/zinc/85/14/11/657851411.db2.gz VLFSXMZNSPWHJI-FRRDWIJNSA-N 2 2 352.439 -1.234 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@H+](Cc3nc(=O)n(C)[nH]3)C2)O1 ZINC001028629971 657851402 /nfs/dbraw/zinc/85/14/02/657851402.db2.gz VLFSXMZNSPWHJI-FRRDWIJNSA-N 2 2 352.439 -1.234 20 0 FAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3nc(=O)n(C)[nH]3)C2)O1 ZINC001028629971 657851388 /nfs/dbraw/zinc/85/13/88/657851388.db2.gz VLFSXMZNSPWHJI-FRRDWIJNSA-N 2 2 352.439 -1.234 20 0 FAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3nc(=O)n(C)[nH]3)C2)O1 ZINC001028629971 657851381 /nfs/dbraw/zinc/85/13/81/657851381.db2.gz VLFSXMZNSPWHJI-FRRDWIJNSA-N 2 2 352.439 -1.234 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@@H+](Cc3nc(=O)n(C)[nH]3)C2)O1 ZINC001028629972 657851520 /nfs/dbraw/zinc/85/15/20/657851520.db2.gz VLFSXMZNSPWHJI-JHJVBQTASA-N 2 2 352.439 -1.234 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@H+](Cc3nc(=O)n(C)[nH]3)C2)O1 ZINC001028629972 657851514 /nfs/dbraw/zinc/85/15/14/657851514.db2.gz VLFSXMZNSPWHJI-JHJVBQTASA-N 2 2 352.439 -1.234 20 0 FAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC[NH+](Cc3nc(=O)n(C)[nH]3)C2)O1 ZINC001028629972 657851508 /nfs/dbraw/zinc/85/15/08/657851508.db2.gz VLFSXMZNSPWHJI-JHJVBQTASA-N 2 2 352.439 -1.234 20 0 FAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CC[NH+](Cc3nc(=O)n(C)[nH]3)C2)O1 ZINC001028629972 657851492 /nfs/dbraw/zinc/85/14/92/657851492.db2.gz VLFSXMZNSPWHJI-JHJVBQTASA-N 2 2 352.439 -1.234 20 0 FAADLP NC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001028710090 657854647 /nfs/dbraw/zinc/85/46/47/657854647.db2.gz RNCLQUYAMSSWLW-KFWWJZLASA-N 2 2 354.451 -1.210 20 0 FAADLP NC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001028710090 657854638 /nfs/dbraw/zinc/85/46/38/657854638.db2.gz RNCLQUYAMSSWLW-KFWWJZLASA-N 2 2 354.451 -1.210 20 0 FAADLP NC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001028710091 657854410 /nfs/dbraw/zinc/85/44/10/657854410.db2.gz RNCLQUYAMSSWLW-ZNMIVQPWSA-N 2 2 354.451 -1.210 20 0 FAADLP NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001028710091 657854403 /nfs/dbraw/zinc/85/44/03/657854403.db2.gz RNCLQUYAMSSWLW-ZNMIVQPWSA-N 2 2 354.451 -1.210 20 0 FAADLP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CC(=O)N3CCNC(=O)C3)C2)CC[N@H+]1C ZINC001031682881 658087445 /nfs/dbraw/zinc/08/74/45/658087445.db2.gz ZGPGGBBRNCXBNG-TZMCWYRMSA-N 2 2 351.451 -1.667 20 0 FAADLP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CC(=O)N3CCNC(=O)C3)C2)CC[N@@H+]1C ZINC001031682881 658087439 /nfs/dbraw/zinc/08/74/39/658087439.db2.gz ZGPGGBBRNCXBNG-TZMCWYRMSA-N 2 2 351.451 -1.667 20 0 FAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2C[NH+](CCN3C(=O)CCC3=O)C2)O1 ZINC001031763704 658097638 /nfs/dbraw/zinc/09/76/38/658097638.db2.gz ICQYAYSFGNIDSY-TZMCWYRMSA-N 2 2 352.435 -1.098 20 0 FAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2C[NH+](CCN3C(=O)CCC3=O)C2)O1 ZINC001031763704 658097624 /nfs/dbraw/zinc/09/76/24/658097624.db2.gz ICQYAYSFGNIDSY-TZMCWYRMSA-N 2 2 352.435 -1.098 20 0 FAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2C[NH+](CCN3C(=O)CNC3=O)C2)O1 ZINC001031765616 658097836 /nfs/dbraw/zinc/09/78/36/658097836.db2.gz JDUJHMMTLAJLIV-DGCLKSJQSA-N 2 2 353.423 -1.695 20 0 FAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2C[NH+](CCN3C(=O)CNC3=O)C2)O1 ZINC001031765616 658097809 /nfs/dbraw/zinc/09/78/09/658097809.db2.gz JDUJHMMTLAJLIV-DGCLKSJQSA-N 2 2 353.423 -1.695 20 0 FAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2C[NH+](CC(=O)N3CCOCC3)C2)O1 ZINC001031768476 658099067 /nfs/dbraw/zinc/09/90/67/658099067.db2.gz FCEBVLXOPGZAKT-UKRRQHHQSA-N 2 2 354.451 -1.388 20 0 FAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2C[NH+](CC(=O)N3CCOCC3)C2)O1 ZINC001031768476 658099060 /nfs/dbraw/zinc/09/90/60/658099060.db2.gz FCEBVLXOPGZAKT-UKRRQHHQSA-N 2 2 354.451 -1.388 20 0 FAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2nc(=O)n(C)[nH]2)O1 ZINC001034971052 658408125 /nfs/dbraw/zinc/40/81/25/658408125.db2.gz BRPJKLNQBAFCHV-JHJVBQTASA-N 2 2 352.439 -1.092 20 0 FAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2nc(=O)n(C)[nH]2)O1 ZINC001034971052 658408100 /nfs/dbraw/zinc/40/81/00/658408100.db2.gz BRPJKLNQBAFCHV-JHJVBQTASA-N 2 2 352.439 -1.092 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@H+]2CCN2C(=O)CNC2=O)O1 ZINC001038397885 657850513 /nfs/dbraw/zinc/85/05/13/657850513.db2.gz DIQFKQNUBHTFLY-FRRDWIJNSA-N 2 2 353.423 -1.552 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CCN2C(=O)CNC2=O)O1 ZINC001038397885 657850505 /nfs/dbraw/zinc/85/05/05/657850505.db2.gz DIQFKQNUBHTFLY-FRRDWIJNSA-N 2 2 353.423 -1.552 20 0 FAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+]2CCN2C(=O)CNC2=O)O1 ZINC001038397885 657850497 /nfs/dbraw/zinc/85/04/97/657850497.db2.gz DIQFKQNUBHTFLY-FRRDWIJNSA-N 2 2 353.423 -1.552 20 0 FAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+]2CCN2C(=O)CNC2=O)O1 ZINC001038397885 657850490 /nfs/dbraw/zinc/85/04/90/657850490.db2.gz DIQFKQNUBHTFLY-FRRDWIJNSA-N 2 2 353.423 -1.552 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@H+]2CCN2C(=O)CNC2=O)O1 ZINC001038397889 657850782 /nfs/dbraw/zinc/85/07/82/657850782.db2.gz DIQFKQNUBHTFLY-JHJVBQTASA-N 2 2 353.423 -1.552 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@@H+]2CCN2C(=O)CNC2=O)O1 ZINC001038397889 657850777 /nfs/dbraw/zinc/85/07/77/657850777.db2.gz DIQFKQNUBHTFLY-JHJVBQTASA-N 2 2 353.423 -1.552 20 0 FAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC[NH+]2CCN2C(=O)CNC2=O)O1 ZINC001038397889 657850770 /nfs/dbraw/zinc/85/07/70/657850770.db2.gz DIQFKQNUBHTFLY-JHJVBQTASA-N 2 2 353.423 -1.552 20 0 FAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CC[NH+]2CCN2C(=O)CNC2=O)O1 ZINC001038397889 657850761 /nfs/dbraw/zinc/85/07/61/657850761.db2.gz DIQFKQNUBHTFLY-JHJVBQTASA-N 2 2 353.423 -1.552 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3CCC[N@H+]3C)C2)O1 ZINC001042104133 659249937 /nfs/dbraw/zinc/24/99/37/659249937.db2.gz LIPXQTMEFJAHDE-HZSPNIEDSA-N 2 2 354.451 -1.511 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)O1 ZINC001042104133 659249933 /nfs/dbraw/zinc/24/99/33/659249933.db2.gz LIPXQTMEFJAHDE-HZSPNIEDSA-N 2 2 354.451 -1.511 20 0 FAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3CCC[NH+]3C)C2)O1 ZINC001042104133 659249928 /nfs/dbraw/zinc/24/99/28/659249928.db2.gz LIPXQTMEFJAHDE-HZSPNIEDSA-N 2 2 354.451 -1.511 20 0 FAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3CCC[NH+]3C)C2)O1 ZINC001042104133 659249925 /nfs/dbraw/zinc/24/99/25/659249925.db2.gz LIPXQTMEFJAHDE-HZSPNIEDSA-N 2 2 354.451 -1.511 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC(O)(CNC(=O)[C@H]3CCC[N@H+]3C)C2)O1 ZINC001042104134 659249992 /nfs/dbraw/zinc/24/99/92/659249992.db2.gz LIPXQTMEFJAHDE-MGPQQGTHSA-N 2 2 354.451 -1.511 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC(O)(CNC(=O)[C@H]3CCC[N@@H+]3C)C2)O1 ZINC001042104134 659249987 /nfs/dbraw/zinc/24/99/87/659249987.db2.gz LIPXQTMEFJAHDE-MGPQQGTHSA-N 2 2 354.451 -1.511 20 0 FAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(O)(CNC(=O)[C@H]3CCC[NH+]3C)C2)O1 ZINC001042104134 659249983 /nfs/dbraw/zinc/24/99/83/659249983.db2.gz LIPXQTMEFJAHDE-MGPQQGTHSA-N 2 2 354.451 -1.511 20 0 FAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(O)(CNC(=O)[C@H]3CCC[NH+]3C)C2)O1 ZINC001042104134 659249977 /nfs/dbraw/zinc/24/99/77/659249977.db2.gz LIPXQTMEFJAHDE-MGPQQGTHSA-N 2 2 354.451 -1.511 20 0 FAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(O)(CNC(=O)C[NH+]3CCCC3)C2)O1 ZINC001043128681 659259309 /nfs/dbraw/zinc/25/93/09/659259309.db2.gz ZFOZOMUZRJKCSA-ZIAGYGMSSA-N 2 2 354.451 -1.509 20 0 FAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(O)(CNC(=O)C[NH+]3CCCC3)C2)O1 ZINC001043128681 659259307 /nfs/dbraw/zinc/25/93/07/659259307.db2.gz ZFOZOMUZRJKCSA-ZIAGYGMSSA-N 2 2 354.451 -1.509 20 0 FAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2(O)CN(C(=O)Cn3cc[nH+]c3)C2)O1 ZINC001043680879 659274578 /nfs/dbraw/zinc/27/45/78/659274578.db2.gz RDVLVTIDFPZNEM-CHWSQXEVSA-N 2 2 351.407 -1.708 20 0 FAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2(O)CN(C(=O)Cn3cc[nH+]c3)C2)O1 ZINC001043680879 659274574 /nfs/dbraw/zinc/27/45/74/659274574.db2.gz RDVLVTIDFPZNEM-CHWSQXEVSA-N 2 2 351.407 -1.708 20 0 FAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(O)(CNC(=O)Cn3cc[nH+]c3)C2)O1 ZINC001043715645 659275435 /nfs/dbraw/zinc/27/54/35/659275435.db2.gz XGGRWJCFCFHYCN-CHWSQXEVSA-N 2 2 351.407 -1.708 20 0 FAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(O)(CNC(=O)Cn3cc[nH+]c3)C2)O1 ZINC001043715645 659275434 /nfs/dbraw/zinc/27/54/34/659275434.db2.gz XGGRWJCFCFHYCN-CHWSQXEVSA-N 2 2 351.407 -1.708 20 0 FAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2nc(=O)n(C)[nH]2)O1 ZINC001045090666 659295082 /nfs/dbraw/zinc/29/50/82/659295082.db2.gz BRPJKLNQBAFCHV-FRRDWIJNSA-N 2 2 352.439 -1.092 20 0 FAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2nc(=O)n(C)[nH]2)O1 ZINC001045090666 659295077 /nfs/dbraw/zinc/29/50/77/659295077.db2.gz BRPJKLNQBAFCHV-FRRDWIJNSA-N 2 2 352.439 -1.092 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCN([C@H]3CC[N@@H+](CC(N)=O)C3)CC2)O1 ZINC001046039130 659298855 /nfs/dbraw/zinc/29/88/55/659298855.db2.gz SMRTXMHWSLLMKD-QLFBSQMISA-N 2 2 353.467 -1.591 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCN([C@H]3CC[N@H+](CC(N)=O)C3)CC2)O1 ZINC001046039130 659298853 /nfs/dbraw/zinc/29/88/53/659298853.db2.gz SMRTXMHWSLLMKD-QLFBSQMISA-N 2 2 353.467 -1.591 20 0 FAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCN([C@H]3CC[NH+](CC(N)=O)C3)CC2)O1 ZINC001046039130 659298848 /nfs/dbraw/zinc/29/88/48/659298848.db2.gz SMRTXMHWSLLMKD-QLFBSQMISA-N 2 2 353.467 -1.591 20 0 FAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCN([C@H]3CC[NH+](CC(N)=O)C3)CC2)O1 ZINC001046039130 659298845 /nfs/dbraw/zinc/29/88/45/659298845.db2.gz SMRTXMHWSLLMKD-QLFBSQMISA-N 2 2 353.467 -1.591 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCN([C@@H]3CC[N@@H+](CC(N)=O)C3)CC2)O1 ZINC001046039131 659298997 /nfs/dbraw/zinc/29/89/97/659298997.db2.gz SMRTXMHWSLLMKD-RBSFLKMASA-N 2 2 353.467 -1.591 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCN([C@@H]3CC[N@H+](CC(N)=O)C3)CC2)O1 ZINC001046039131 659298994 /nfs/dbraw/zinc/29/89/94/659298994.db2.gz SMRTXMHWSLLMKD-RBSFLKMASA-N 2 2 353.467 -1.591 20 0 FAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCN([C@@H]3CC[NH+](CC(N)=O)C3)CC2)O1 ZINC001046039131 659298991 /nfs/dbraw/zinc/29/89/91/659298991.db2.gz SMRTXMHWSLLMKD-RBSFLKMASA-N 2 2 353.467 -1.591 20 0 FAADLP 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C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2n2ccnn2)O1 ZINC001069958935 680080061 /nfs/dbraw/zinc/08/00/61/680080061.db2.gz TZSHYNFAFXZPMK-APIJFGDWSA-N 2 2 352.439 -1.279 20 0 FAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@@H]2n2ccnn2)O1 ZINC001069958935 680080058 /nfs/dbraw/zinc/08/00/58/680080058.db2.gz TZSHYNFAFXZPMK-APIJFGDWSA-N 2 2 352.439 -1.279 20 0 FAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@@H]2n2ccnn2)O1 ZINC001069958935 680080054 /nfs/dbraw/zinc/08/00/54/680080054.db2.gz TZSHYNFAFXZPMK-APIJFGDWSA-N 2 2 352.439 -1.279 20 0 FAADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)C1 ZINC001070006483 680082181 /nfs/dbraw/zinc/08/21/81/680082181.db2.gz YHJCBLMSHSYRNL-ILXRZTDVSA-N 2 2 352.439 -1.279 20 0 FAADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)C1 ZINC001070006483 680082177 /nfs/dbraw/zinc/08/21/77/680082177.db2.gz YHJCBLMSHSYRNL-ILXRZTDVSA-N 2 2 352.439 -1.279 20 0 FAADLP 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Cn1cnc([C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070477953 680093982 /nfs/dbraw/zinc/09/39/82/680093982.db2.gz AZNUQYWNZPIVEU-IACUBPJLSA-N 2 2 350.423 -1.880 20 0 FAADLP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070477954 680094002 /nfs/dbraw/zinc/09/40/02/680094002.db2.gz AZNUQYWNZPIVEU-YUTCNCBUSA-N 2 2 350.423 -1.880 20 0 FAADLP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070477954 680094000 /nfs/dbraw/zinc/09/40/00/680094000.db2.gz AZNUQYWNZPIVEU-YUTCNCBUSA-N 2 2 350.423 -1.880 20 0 FAADLP Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CC(N)=O ZINC001070632243 680094812 /nfs/dbraw/zinc/09/48/12/680094812.db2.gz OSBVWQHQKWBCDL-BZPMIXESSA-N 2 2 350.423 -1.880 20 0 FAADLP Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CC(N)=O ZINC001070632243 680094806 /nfs/dbraw/zinc/09/48/06/680094806.db2.gz OSBVWQHQKWBCDL-BZPMIXESSA-N 2 2 350.423 -1.880 20 0 FAADLP Cn1cncc1[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CC(N)=O ZINC001070632244 680095123 /nfs/dbraw/zinc/09/51/23/680095123.db2.gz OSBVWQHQKWBCDL-YRGRVCCFSA-N 2 2 350.423 -1.880 20 0 FAADLP Cn1cncc1[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CC(N)=O ZINC001070632244 680095118 /nfs/dbraw/zinc/09/51/18/680095118.db2.gz OSBVWQHQKWBCDL-YRGRVCCFSA-N 2 2 350.423 -1.880 20 0 FAADLP C[C@@H](O)C[NH+]1CCNC(=O)CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001070972635 680097071 /nfs/dbraw/zinc/09/70/71/680097071.db2.gz CVGNEXXVBVXVHI-RBSFLKMASA-N 2 2 356.467 -1.263 20 0 FAADLP C[C@@H](O)C[NH+]1CCNC(=O)CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001070972635 680097070 /nfs/dbraw/zinc/09/70/70/680097070.db2.gz CVGNEXXVBVXVHI-RBSFLKMASA-N 2 2 356.467 -1.263 20 0 FAADLP C[C@@H](O)C[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001070972635 680097065 /nfs/dbraw/zinc/09/70/65/680097065.db2.gz CVGNEXXVBVXVHI-RBSFLKMASA-N 2 2 356.467 -1.263 20 0 FAADLP C[C@@H](O)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001070972635 680097062 /nfs/dbraw/zinc/09/70/62/680097062.db2.gz CVGNEXXVBVXVHI-RBSFLKMASA-N 2 2 356.467 -1.263 20 0 FAADLP C[C@H](O)C[NH+]1CCNC(=O)CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001070972636 680097168 /nfs/dbraw/zinc/09/71/68/680097168.db2.gz CVGNEXXVBVXVHI-RRFJBIMHSA-N 2 2 356.467 -1.263 20 0 FAADLP C[C@H](O)C[NH+]1CCNC(=O)CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001070972636 680097167 /nfs/dbraw/zinc/09/71/67/680097167.db2.gz CVGNEXXVBVXVHI-RRFJBIMHSA-N 2 2 356.467 -1.263 20 0 FAADLP C[C@H](O)C[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001070972636 680097165 /nfs/dbraw/zinc/09/71/65/680097165.db2.gz CVGNEXXVBVXVHI-RRFJBIMHSA-N 2 2 356.467 -1.263 20 0 FAADLP C[C@H](O)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001070972636 680097163 /nfs/dbraw/zinc/09/71/63/680097163.db2.gz CVGNEXXVBVXVHI-RRFJBIMHSA-N 2 2 356.467 -1.263 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(=O)NCC[N@H+](CCCO)CC2)O1 ZINC001070972996 680096787 /nfs/dbraw/zinc/09/67/87/680096787.db2.gz XOZGNVXSBPMAMF-HUUCEWRRSA-N 2 2 356.467 -1.262 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(=O)NCC[N@@H+](CCCO)CC2)O1 ZINC001070972996 680096783 /nfs/dbraw/zinc/09/67/83/680096783.db2.gz XOZGNVXSBPMAMF-HUUCEWRRSA-N 2 2 356.467 -1.262 20 0 FAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(=O)NCC[NH+](CCCO)CC2)O1 ZINC001070972996 680096780 /nfs/dbraw/zinc/09/67/80/680096780.db2.gz XOZGNVXSBPMAMF-HUUCEWRRSA-N 2 2 356.467 -1.262 20 0 FAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(=O)NCC[NH+](CCCO)CC2)O1 ZINC001070972996 680096776 /nfs/dbraw/zinc/09/67/76/680096776.db2.gz XOZGNVXSBPMAMF-HUUCEWRRSA-N 2 2 356.467 -1.262 20 0 FAADLP C[C@H]1[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001074709452 680102235 /nfs/dbraw/zinc/10/22/35/680102235.db2.gz DAHXCGPTQHYZMK-MROQNXINSA-N 2 2 352.439 -1.094 20 0 FAADLP C[C@H]1[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001074709452 680102230 /nfs/dbraw/zinc/10/22/30/680102230.db2.gz DAHXCGPTQHYZMK-MROQNXINSA-N 2 2 352.439 -1.094 20 0 FAADLP C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001074760034 680102812 /nfs/dbraw/zinc/10/28/12/680102812.db2.gz RIPYEPNUZUYMKA-XGUBFFRZSA-N 2 2 354.451 -1.070 20 0 FAADLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CCN4CCNC4=O)C[C@H]32)C1 ZINC001075643703 679520605 /nfs/dbraw/zinc/52/06/05/679520605.db2.gz IKTADTLVLNLSKF-RRFJBIMHSA-N 2 2 351.451 -1.125 20 0 FAADLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@H+](CCN4CCNC4=O)C[C@H]32)C1 ZINC001075643703 679520600 /nfs/dbraw/zinc/52/06/00/679520600.db2.gz IKTADTLVLNLSKF-RRFJBIMHSA-N 2 2 351.451 -1.125 20 0 FAADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CCN4CCNC4=O)C[C@H]32)C1 ZINC001075643703 679520596 /nfs/dbraw/zinc/52/05/96/679520596.db2.gz IKTADTLVLNLSKF-RRFJBIMHSA-N 2 2 351.451 -1.125 20 0 FAADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CCN4CCNC4=O)C[C@H]32)C1 ZINC001075643703 679520591 /nfs/dbraw/zinc/52/05/91/679520591.db2.gz IKTADTLVLNLSKF-RRFJBIMHSA-N 2 2 351.451 -1.125 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCN4CCNC4=O)C[C@H]32)C1 ZINC001075643704 679520467 /nfs/dbraw/zinc/52/04/67/679520467.db2.gz IKTADTLVLNLSKF-ZNMIVQPWSA-N 2 2 351.451 -1.125 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@H+](CCN4CCNC4=O)C[C@H]32)C1 ZINC001075643704 679520464 /nfs/dbraw/zinc/52/04/64/679520464.db2.gz IKTADTLVLNLSKF-ZNMIVQPWSA-N 2 2 351.451 -1.125 20 0 FAADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](CCN4CCNC4=O)C[C@H]32)C1 ZINC001075643704 679520462 /nfs/dbraw/zinc/52/04/62/679520462.db2.gz IKTADTLVLNLSKF-ZNMIVQPWSA-N 2 2 351.451 -1.125 20 0 FAADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](CCN4CCNC4=O)C[C@H]32)C1 ZINC001075643704 679520459 /nfs/dbraw/zinc/52/04/59/679520459.db2.gz IKTADTLVLNLSKF-ZNMIVQPWSA-N 2 2 351.451 -1.125 20 0 FAADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)C[C@H]1O ZINC001076805665 679557287 /nfs/dbraw/zinc/55/72/87/679557287.db2.gz PVINZUHOQGTFHU-FRRDWIJNSA-N 2 2 353.423 -1.816 20 0 FAADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@H]1O ZINC001076805665 679557284 /nfs/dbraw/zinc/55/72/84/679557284.db2.gz PVINZUHOQGTFHU-FRRDWIJNSA-N 2 2 353.423 -1.816 20 0 FAADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCN2C(=O)CNC2=O)C[C@H]1O ZINC001076805665 679557281 /nfs/dbraw/zinc/55/72/81/679557281.db2.gz PVINZUHOQGTFHU-FRRDWIJNSA-N 2 2 353.423 -1.816 20 0 FAADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCN2C(=O)CNC2=O)C[C@H]1O ZINC001076805665 679557277 /nfs/dbraw/zinc/55/72/77/679557277.db2.gz PVINZUHOQGTFHU-FRRDWIJNSA-N 2 2 353.423 -1.816 20 0 FAADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)C[C@H]1O ZINC001076805666 679557385 /nfs/dbraw/zinc/55/73/85/679557385.db2.gz PVINZUHOQGTFHU-JHJVBQTASA-N 2 2 353.423 -1.816 20 0 FAADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@H]1O ZINC001076805666 679557381 /nfs/dbraw/zinc/55/73/81/679557381.db2.gz PVINZUHOQGTFHU-JHJVBQTASA-N 2 2 353.423 -1.816 20 0 FAADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCN2C(=O)CNC2=O)C[C@H]1O ZINC001076805666 679557377 /nfs/dbraw/zinc/55/73/77/679557377.db2.gz PVINZUHOQGTFHU-JHJVBQTASA-N 2 2 353.423 -1.816 20 0 FAADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCN2C(=O)CNC2=O)C[C@H]1O ZINC001076805666 679557373 /nfs/dbraw/zinc/55/73/73/679557373.db2.gz PVINZUHOQGTFHU-JHJVBQTASA-N 2 2 353.423 -1.816 20 0 FAADLP Cn1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)cc1=O ZINC001076834595 679559659 /nfs/dbraw/zinc/55/96/59/679559659.db2.gz YCLYBJWHKVMHAJ-KFWWJZLASA-N 2 2 350.419 -1.623 20 0 FAADLP Cn1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)cc1=O ZINC001076834595 679559657 /nfs/dbraw/zinc/55/96/57/679559657.db2.gz YCLYBJWHKVMHAJ-KFWWJZLASA-N 2 2 350.419 -1.623 20 0 FAADLP Cn1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+](C)CCO3)C2)cc1=O ZINC001076834595 679559655 /nfs/dbraw/zinc/55/96/55/679559655.db2.gz YCLYBJWHKVMHAJ-KFWWJZLASA-N 2 2 350.419 -1.623 20 0 FAADLP Cn1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+](C)CCO3)C2)cc1=O ZINC001076834595 679559654 /nfs/dbraw/zinc/55/96/54/679559654.db2.gz YCLYBJWHKVMHAJ-KFWWJZLASA-N 2 2 350.419 -1.623 20 0 FAADLP Cn1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)cc1=O ZINC001076834596 679559392 /nfs/dbraw/zinc/55/93/92/679559392.db2.gz YCLYBJWHKVMHAJ-RBSFLKMASA-N 2 2 350.419 -1.623 20 0 FAADLP Cn1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)cc1=O ZINC001076834596 679559388 /nfs/dbraw/zinc/55/93/88/679559388.db2.gz YCLYBJWHKVMHAJ-RBSFLKMASA-N 2 2 350.419 -1.623 20 0 FAADLP Cn1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](C)CCO3)C2)cc1=O ZINC001076834596 679559384 /nfs/dbraw/zinc/55/93/84/679559384.db2.gz YCLYBJWHKVMHAJ-RBSFLKMASA-N 2 2 350.419 -1.623 20 0 FAADLP Cn1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](C)CCO3)C2)cc1=O ZINC001076834596 679559381 /nfs/dbraw/zinc/55/93/81/679559381.db2.gz YCLYBJWHKVMHAJ-RBSFLKMASA-N 2 2 350.419 -1.623 20 0 FAADLP Cc1noc(CCC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+](C)CCO3)C2)n1 ZINC001076835607 679559544 /nfs/dbraw/zinc/55/95/44/679559544.db2.gz FFBFJWTVRDEGRJ-MCIONIFRSA-N 2 2 353.423 -1.197 20 0 FAADLP Cc1noc(CCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+](C)CCO3)C2)n1 ZINC001076835607 679559540 /nfs/dbraw/zinc/55/95/40/679559540.db2.gz FFBFJWTVRDEGRJ-MCIONIFRSA-N 2 2 353.423 -1.197 20 0 FAADLP Cc1noc(CCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001076835607 679559534 /nfs/dbraw/zinc/55/95/34/679559534.db2.gz FFBFJWTVRDEGRJ-MCIONIFRSA-N 2 2 353.423 -1.197 20 0 FAADLP Cc1noc(CCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001076835607 679559531 /nfs/dbraw/zinc/55/95/31/679559531.db2.gz FFBFJWTVRDEGRJ-MCIONIFRSA-N 2 2 353.423 -1.197 20 0 FAADLP Cc1noc(CCC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](C)CCO3)C2)n1 ZINC001076835608 679559267 /nfs/dbraw/zinc/55/92/67/679559267.db2.gz FFBFJWTVRDEGRJ-MGPQQGTHSA-N 2 2 353.423 -1.197 20 0 FAADLP Cc1noc(CCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](C)CCO3)C2)n1 ZINC001076835608 679559263 /nfs/dbraw/zinc/55/92/63/679559263.db2.gz FFBFJWTVRDEGRJ-MGPQQGTHSA-N 2 2 353.423 -1.197 20 0 FAADLP Cc1noc(CCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001076835608 679559261 /nfs/dbraw/zinc/55/92/61/679559261.db2.gz FFBFJWTVRDEGRJ-MGPQQGTHSA-N 2 2 353.423 -1.197 20 0 FAADLP Cc1noc(CCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001076835608 679559258 /nfs/dbraw/zinc/55/92/58/679559258.db2.gz FFBFJWTVRDEGRJ-MGPQQGTHSA-N 2 2 353.423 -1.197 20 0 FAADLP CCn1cc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)cn1 ZINC001076837040 679559359 /nfs/dbraw/zinc/55/93/59/679559359.db2.gz LOWDSLXQIPHWSW-BZUAXINKSA-N 2 2 351.451 -1.063 20 0 FAADLP CCn1cc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)cn1 ZINC001076837040 679559353 /nfs/dbraw/zinc/55/93/53/679559353.db2.gz LOWDSLXQIPHWSW-BZUAXINKSA-N 2 2 351.451 -1.063 20 0 FAADLP CCn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](C)CCO3)C2)cn1 ZINC001076837040 679559351 /nfs/dbraw/zinc/55/93/51/679559351.db2.gz LOWDSLXQIPHWSW-BZUAXINKSA-N 2 2 351.451 -1.063 20 0 FAADLP CCn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](C)CCO3)C2)cn1 ZINC001076837040 679559344 /nfs/dbraw/zinc/55/93/44/679559344.db2.gz LOWDSLXQIPHWSW-BZUAXINKSA-N 2 2 351.451 -1.063 20 0 FAADLP CCn1cc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)cn1 ZINC001076837041 679559615 /nfs/dbraw/zinc/55/96/15/679559615.db2.gz LOWDSLXQIPHWSW-OAGGEKHMSA-N 2 2 351.451 -1.063 20 0 FAADLP CCn1cc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)cn1 ZINC001076837041 679559613 /nfs/dbraw/zinc/55/96/13/679559613.db2.gz LOWDSLXQIPHWSW-OAGGEKHMSA-N 2 2 351.451 -1.063 20 0 FAADLP CCn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+](C)CCO3)C2)cn1 ZINC001076837041 679559610 /nfs/dbraw/zinc/55/96/10/679559610.db2.gz LOWDSLXQIPHWSW-OAGGEKHMSA-N 2 2 351.451 -1.063 20 0 FAADLP CCn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+](C)CCO3)C2)cn1 ZINC001076837041 679559608 /nfs/dbraw/zinc/55/96/08/679559608.db2.gz LOWDSLXQIPHWSW-OAGGEKHMSA-N 2 2 351.451 -1.063 20 0 FAADLP Cc1cc(C)n(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](C)CCO3)C2)n1 ZINC001076838740 679560365 /nfs/dbraw/zinc/56/03/65/679560365.db2.gz KOISHKYDXDGBFT-BZUAXINKSA-N 2 2 351.451 -1.008 20 0 FAADLP Cc1cc(C)n(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](C)CCO3)C2)n1 ZINC001076838740 679560363 /nfs/dbraw/zinc/56/03/63/679560363.db2.gz KOISHKYDXDGBFT-BZUAXINKSA-N 2 2 351.451 -1.008 20 0 FAADLP Cc1cc(C)n(CC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001076838740 679560359 /nfs/dbraw/zinc/56/03/59/679560359.db2.gz KOISHKYDXDGBFT-BZUAXINKSA-N 2 2 351.451 -1.008 20 0 FAADLP Cc1cc(C)n(CC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001076838740 679560355 /nfs/dbraw/zinc/56/03/55/679560355.db2.gz KOISHKYDXDGBFT-BZUAXINKSA-N 2 2 351.451 -1.008 20 0 FAADLP Cc1cc(C)n(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+](C)CCO3)C2)n1 ZINC001076838741 679560280 /nfs/dbraw/zinc/56/02/80/679560280.db2.gz KOISHKYDXDGBFT-OAGGEKHMSA-N 2 2 351.451 -1.008 20 0 FAADLP Cc1cc(C)n(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+](C)CCO3)C2)n1 ZINC001076838741 679560277 /nfs/dbraw/zinc/56/02/77/679560277.db2.gz KOISHKYDXDGBFT-OAGGEKHMSA-N 2 2 351.451 -1.008 20 0 FAADLP Cc1cc(C)n(CC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001076838741 679560275 /nfs/dbraw/zinc/56/02/75/679560275.db2.gz KOISHKYDXDGBFT-OAGGEKHMSA-N 2 2 351.451 -1.008 20 0 FAADLP Cc1cc(C)n(CC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001076838741 679560273 /nfs/dbraw/zinc/56/02/73/679560273.db2.gz KOISHKYDXDGBFT-OAGGEKHMSA-N 2 2 351.451 -1.008 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCCN3CCCC3=O)C[C@H]2O)C1 ZINC001076838950 679560200 /nfs/dbraw/zinc/56/02/00/679560200.db2.gz UHGAXLBKHPVHNL-KFWWJZLASA-N 2 2 354.451 -1.509 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCCN3CCCC3=O)C[C@H]2O)C1 ZINC001076838950 679560199 /nfs/dbraw/zinc/56/01/99/679560199.db2.gz UHGAXLBKHPVHNL-KFWWJZLASA-N 2 2 354.451 -1.509 20 0 FAADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCN3CCCC3=O)C[C@H]2O)C1 ZINC001076838950 679560197 /nfs/dbraw/zinc/56/01/97/679560197.db2.gz UHGAXLBKHPVHNL-KFWWJZLASA-N 2 2 354.451 -1.509 20 0 FAADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCN3CCCC3=O)C[C@H]2O)C1 ZINC001076838950 679560195 /nfs/dbraw/zinc/56/01/95/679560195.db2.gz UHGAXLBKHPVHNL-KFWWJZLASA-N 2 2 354.451 -1.509 20 0 FAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCN3CCCC3=O)C[C@H]2O)C1 ZINC001076838951 679560214 /nfs/dbraw/zinc/56/02/14/679560214.db2.gz UHGAXLBKHPVHNL-RBSFLKMASA-N 2 2 354.451 -1.509 20 0 FAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCCN3CCCC3=O)C[C@H]2O)C1 ZINC001076838951 679560211 /nfs/dbraw/zinc/56/02/11/679560211.db2.gz UHGAXLBKHPVHNL-RBSFLKMASA-N 2 2 354.451 -1.509 20 0 FAADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCN3CCCC3=O)C[C@H]2O)C1 ZINC001076838951 679560209 /nfs/dbraw/zinc/56/02/09/679560209.db2.gz UHGAXLBKHPVHNL-RBSFLKMASA-N 2 2 354.451 -1.509 20 0 FAADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCN3CCCC3=O)C[C@H]2O)C1 ZINC001076838951 679560208 /nfs/dbraw/zinc/56/02/08/679560208.db2.gz UHGAXLBKHPVHNL-RBSFLKMASA-N 2 2 354.451 -1.509 20 0 FAADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001077014147 679570973 /nfs/dbraw/zinc/57/09/73/679570973.db2.gz FWVQDQOUVRWVGN-HZSPNIEDSA-N 2 2 352.439 -1.517 20 0 FAADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001077014147 679570970 /nfs/dbraw/zinc/57/09/70/679570970.db2.gz FWVQDQOUVRWVGN-HZSPNIEDSA-N 2 2 352.439 -1.517 20 0 FAADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001077014148 679570694 /nfs/dbraw/zinc/57/06/94/679570694.db2.gz FWVQDQOUVRWVGN-MGPQQGTHSA-N 2 2 352.439 -1.517 20 0 FAADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001077014148 679570691 /nfs/dbraw/zinc/57/06/91/679570691.db2.gz FWVQDQOUVRWVGN-MGPQQGTHSA-N 2 2 352.439 -1.517 20 0 FAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CCN3CCCS3(=O)=O)C[C@H]2O)CC[NH+]1C ZINC001077023535 679571732 /nfs/dbraw/zinc/57/17/32/679571732.db2.gz FQIREWBOEGHDKY-KBUPBQIOSA-N 2 2 374.507 -1.477 20 0 FAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CCN3CCCS3(=O)=O)C[C@H]2O)CC[NH+]1C ZINC001077023535 679571729 /nfs/dbraw/zinc/57/17/29/679571729.db2.gz FQIREWBOEGHDKY-KBUPBQIOSA-N 2 2 374.507 -1.477 20 0 FAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCN3CCCS3(=O)=O)C[C@H]2O)CC[N@H+]1C ZINC001077023535 679571725 /nfs/dbraw/zinc/57/17/25/679571725.db2.gz FQIREWBOEGHDKY-KBUPBQIOSA-N 2 2 374.507 -1.477 20 0 FAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCN3CCCS3(=O)=O)C[C@H]2O)CC[N@@H+]1C ZINC001077023535 679571721 /nfs/dbraw/zinc/57/17/21/679571721.db2.gz FQIREWBOEGHDKY-KBUPBQIOSA-N 2 2 374.507 -1.477 20 0 FAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@H]2O)CC[NH+]1C ZINC001077023869 679571853 /nfs/dbraw/zinc/57/18/53/679571853.db2.gz XIJWPYRMDLCUQW-KBUPBQIOSA-N 2 2 354.451 -1.653 20 0 FAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@H]2O)CC[NH+]1C ZINC001077023869 679571852 /nfs/dbraw/zinc/57/18/52/679571852.db2.gz XIJWPYRMDLCUQW-KBUPBQIOSA-N 2 2 354.451 -1.653 20 0 FAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCOCC3)C[C@H]2O)CC[N@H+]1C ZINC001077023869 679571849 /nfs/dbraw/zinc/57/18/49/679571849.db2.gz XIJWPYRMDLCUQW-KBUPBQIOSA-N 2 2 354.451 -1.653 20 0 FAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCOCC3)C[C@H]2O)CC[N@@H+]1C ZINC001077023869 679571847 /nfs/dbraw/zinc/57/18/47/679571847.db2.gz XIJWPYRMDLCUQW-KBUPBQIOSA-N 2 2 354.451 -1.653 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]2O)O1 ZINC001077220576 679582480 /nfs/dbraw/zinc/58/24/80/679582480.db2.gz OMWLTDJNLVONES-AAVRWANBSA-N 2 2 355.439 -2.108 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@H]2O)O1 ZINC001077220576 679582479 /nfs/dbraw/zinc/58/24/79/679582479.db2.gz OMWLTDJNLVONES-AAVRWANBSA-N 2 2 355.439 -2.108 20 0 FAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)C[C@H]2O)O1 ZINC001077220576 679582477 /nfs/dbraw/zinc/58/24/77/679582477.db2.gz OMWLTDJNLVONES-AAVRWANBSA-N 2 2 355.439 -2.108 20 0 FAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)C[C@H]2O)O1 ZINC001077220576 679582475 /nfs/dbraw/zinc/58/24/75/679582475.db2.gz OMWLTDJNLVONES-AAVRWANBSA-N 2 2 355.439 -2.108 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CCc3cnn(C)c3)C[C@H]2O)O1 ZINC001077220604 679582440 /nfs/dbraw/zinc/58/24/40/679582440.db2.gz PYTZBGQSHFVIMR-DTZQCDIJSA-N 2 2 351.451 -1.157 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CCc3cnn(C)c3)C[C@H]2O)O1 ZINC001077220604 679582436 /nfs/dbraw/zinc/58/24/36/679582436.db2.gz PYTZBGQSHFVIMR-DTZQCDIJSA-N 2 2 351.451 -1.157 20 0 FAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCc3cnn(C)c3)C[C@H]2O)O1 ZINC001077220604 679582432 /nfs/dbraw/zinc/58/24/32/679582432.db2.gz PYTZBGQSHFVIMR-DTZQCDIJSA-N 2 2 351.451 -1.157 20 0 FAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCc3cnn(C)c3)C[C@H]2O)O1 ZINC001077220604 679582431 /nfs/dbraw/zinc/58/24/31/679582431.db2.gz PYTZBGQSHFVIMR-DTZQCDIJSA-N 2 2 351.451 -1.157 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccnn3C)C[C@H]2O)O1 ZINC001077220914 679582340 /nfs/dbraw/zinc/58/23/40/679582340.db2.gz VZANNHCUMXPHPP-DTZQCDIJSA-N 2 2 351.451 -1.157 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CCc3ccnn3C)C[C@H]2O)O1 ZINC001077220914 679582336 /nfs/dbraw/zinc/58/23/36/679582336.db2.gz VZANNHCUMXPHPP-DTZQCDIJSA-N 2 2 351.451 -1.157 20 0 FAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccnn3C)C[C@H]2O)O1 ZINC001077220914 679582332 /nfs/dbraw/zinc/58/23/32/679582332.db2.gz VZANNHCUMXPHPP-DTZQCDIJSA-N 2 2 351.451 -1.157 20 0 FAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccnn3C)C[C@H]2O)O1 ZINC001077220914 679582327 /nfs/dbraw/zinc/58/23/27/679582327.db2.gz VZANNHCUMXPHPP-DTZQCDIJSA-N 2 2 351.451 -1.157 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]2O)O1 ZINC001077221127 679582581 /nfs/dbraw/zinc/58/25/81/679582581.db2.gz BXDWGGRPJUMZAL-KBUPBQIOSA-N 2 2 354.451 -1.511 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@H]2O)O1 ZINC001077221127 679582579 /nfs/dbraw/zinc/58/25/79/679582579.db2.gz BXDWGGRPJUMZAL-KBUPBQIOSA-N 2 2 354.451 -1.511 20 0 FAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCN3CCCC3=O)C[C@H]2O)O1 ZINC001077221127 679582577 /nfs/dbraw/zinc/58/25/77/679582577.db2.gz BXDWGGRPJUMZAL-KBUPBQIOSA-N 2 2 354.451 -1.511 20 0 FAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCN3CCCC3=O)C[C@H]2O)O1 ZINC001077221127 679582574 /nfs/dbraw/zinc/58/25/74/679582574.db2.gz BXDWGGRPJUMZAL-KBUPBQIOSA-N 2 2 354.451 -1.511 20 0 FAADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001077236484 679582956 /nfs/dbraw/zinc/58/29/56/679582956.db2.gz LWQONWAXYGQVQI-HZSPNIEDSA-N 2 2 352.435 -1.219 20 0 FAADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001077236484 679582954 /nfs/dbraw/zinc/58/29/54/679582954.db2.gz LWQONWAXYGQVQI-HZSPNIEDSA-N 2 2 352.435 -1.219 20 0 FAADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001077236484 679582951 /nfs/dbraw/zinc/58/29/51/679582951.db2.gz LWQONWAXYGQVQI-HZSPNIEDSA-N 2 2 352.435 -1.219 20 0 FAADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001077236484 679582948 /nfs/dbraw/zinc/58/29/48/679582948.db2.gz LWQONWAXYGQVQI-HZSPNIEDSA-N 2 2 352.435 -1.219 20 0 FAADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001077236485 679582874 /nfs/dbraw/zinc/58/28/74/679582874.db2.gz LWQONWAXYGQVQI-MGPQQGTHSA-N 2 2 352.435 -1.219 20 0 FAADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001077236485 679582873 /nfs/dbraw/zinc/58/28/73/679582873.db2.gz LWQONWAXYGQVQI-MGPQQGTHSA-N 2 2 352.435 -1.219 20 0 FAADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001077236485 679582871 /nfs/dbraw/zinc/58/28/71/679582871.db2.gz LWQONWAXYGQVQI-MGPQQGTHSA-N 2 2 352.435 -1.219 20 0 FAADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001077236485 679582870 /nfs/dbraw/zinc/58/28/70/679582870.db2.gz LWQONWAXYGQVQI-MGPQQGTHSA-N 2 2 352.435 -1.219 20 0 FAADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001077236720 679582830 /nfs/dbraw/zinc/58/28/30/679582830.db2.gz QINBZADEIGQSNP-FRRDWIJNSA-N 2 2 353.423 -1.816 20 0 FAADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001077236720 679582827 /nfs/dbraw/zinc/58/28/27/679582827.db2.gz QINBZADEIGQSNP-FRRDWIJNSA-N 2 2 353.423 -1.816 20 0 FAADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001077236720 679582825 /nfs/dbraw/zinc/58/28/25/679582825.db2.gz QINBZADEIGQSNP-FRRDWIJNSA-N 2 2 353.423 -1.816 20 0 FAADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001077236720 679582823 /nfs/dbraw/zinc/58/28/23/679582823.db2.gz QINBZADEIGQSNP-FRRDWIJNSA-N 2 2 353.423 -1.816 20 0 FAADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001077236722 679582921 /nfs/dbraw/zinc/58/29/21/679582921.db2.gz QINBZADEIGQSNP-JHJVBQTASA-N 2 2 353.423 -1.816 20 0 FAADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001077236722 679582917 /nfs/dbraw/zinc/58/29/17/679582917.db2.gz QINBZADEIGQSNP-JHJVBQTASA-N 2 2 353.423 -1.816 20 0 FAADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001077236722 679582916 /nfs/dbraw/zinc/58/29/16/679582916.db2.gz QINBZADEIGQSNP-JHJVBQTASA-N 2 2 353.423 -1.816 20 0 FAADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001077236722 679582913 /nfs/dbraw/zinc/58/29/13/679582913.db2.gz QINBZADEIGQSNP-JHJVBQTASA-N 2 2 353.423 -1.816 20 0 FAADLP O=C(N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001077299696 679588443 /nfs/dbraw/zinc/58/84/43/679588443.db2.gz NOCOYISHJWKINX-ZIAGYGMSSA-N 2 2 351.451 -1.199 20 0 FAADLP O=C(N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001077299696 679588441 /nfs/dbraw/zinc/58/84/41/679588441.db2.gz NOCOYISHJWKINX-ZIAGYGMSSA-N 2 2 351.451 -1.199 20 0 FAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001077392478 679593037 /nfs/dbraw/zinc/59/30/37/679593037.db2.gz CYLHLXRLDDSLTB-VXGBXAGGSA-N 2 2 350.379 -2.095 20 0 FAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001077392478 679593033 /nfs/dbraw/zinc/59/30/33/679593033.db2.gz CYLHLXRLDDSLTB-VXGBXAGGSA-N 2 2 350.379 -2.095 20 0 FAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001077394768 679593585 /nfs/dbraw/zinc/59/35/85/679593585.db2.gz CLFPGLPATPLTBR-ZIAGYGMSSA-N 2 2 371.463 -1.612 20 0 FAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001077394768 679593583 /nfs/dbraw/zinc/59/35/83/679593583.db2.gz CLFPGLPATPLTBR-ZIAGYGMSSA-N 2 2 371.463 -1.612 20 0 FAADLP O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001077430502 679603135 /nfs/dbraw/zinc/60/31/35/679603135.db2.gz OAZONFSWNKQNEN-FPCVCCKLSA-N 2 2 357.451 -1.590 20 0 FAADLP O=C(N[C@@H]1C[N@H+](CCCO)C[C@H]1O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001077430502 679603132 /nfs/dbraw/zinc/60/31/32/679603132.db2.gz OAZONFSWNKQNEN-FPCVCCKLSA-N 2 2 357.451 -1.590 20 0 FAADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1O ZINC001077514642 679614281 /nfs/dbraw/zinc/61/42/81/679614281.db2.gz OJNWZMUFUMITLH-GBJTYRQASA-N 2 2 354.451 -1.775 20 0 FAADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1O ZINC001077514642 679614279 /nfs/dbraw/zinc/61/42/79/679614279.db2.gz OJNWZMUFUMITLH-GBJTYRQASA-N 2 2 354.451 -1.775 20 0 FAADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](C[C@H](O)CN2CCCC2=O)C[C@H]1O ZINC001077514642 679614278 /nfs/dbraw/zinc/61/42/78/679614278.db2.gz OJNWZMUFUMITLH-GBJTYRQASA-N 2 2 354.451 -1.775 20 0 FAADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](C[C@H](O)CN2CCCC2=O)C[C@H]1O ZINC001077514642 679614276 /nfs/dbraw/zinc/61/42/76/679614276.db2.gz OJNWZMUFUMITLH-GBJTYRQASA-N 2 2 354.451 -1.775 20 0 FAADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)C1 ZINC001077566436 679627528 /nfs/dbraw/zinc/62/75/28/679627528.db2.gz AQUBLAGSNJZCRC-KFWWJZLASA-N 2 2 352.439 -1.451 20 0 FAADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)C1 ZINC001077566436 679627525 /nfs/dbraw/zinc/62/75/25/679627525.db2.gz AQUBLAGSNJZCRC-KFWWJZLASA-N 2 2 352.439 -1.451 20 0 FAADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@H]2O)C1 ZINC001077566436 679627524 /nfs/dbraw/zinc/62/75/24/679627524.db2.gz AQUBLAGSNJZCRC-KFWWJZLASA-N 2 2 352.439 -1.451 20 0 FAADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@H]2O)C1 ZINC001077566436 679627521 /nfs/dbraw/zinc/62/75/21/679627521.db2.gz AQUBLAGSNJZCRC-KFWWJZLASA-N 2 2 352.439 -1.451 20 0 FAADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)C1 ZINC001077566437 679627450 /nfs/dbraw/zinc/62/74/50/679627450.db2.gz AQUBLAGSNJZCRC-RBSFLKMASA-N 2 2 352.439 -1.451 20 0 FAADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)C1 ZINC001077566437 679627449 /nfs/dbraw/zinc/62/74/49/679627449.db2.gz AQUBLAGSNJZCRC-RBSFLKMASA-N 2 2 352.439 -1.451 20 0 FAADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@H]2O)C1 ZINC001077566437 679627448 /nfs/dbraw/zinc/62/74/48/679627448.db2.gz AQUBLAGSNJZCRC-RBSFLKMASA-N 2 2 352.439 -1.451 20 0 FAADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@H]2O)C1 ZINC001077566437 679627446 /nfs/dbraw/zinc/62/74/46/679627446.db2.gz AQUBLAGSNJZCRC-RBSFLKMASA-N 2 2 352.439 -1.451 20 0 FAADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@H]2O)CC1 ZINC001077612369 679897313 /nfs/dbraw/zinc/89/73/13/679897313.db2.gz FEDWTZOLLOKNLP-HUUCEWRRSA-N 2 2 354.451 -1.652 20 0 FAADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@H]2O)CC1 ZINC001077612369 679897308 /nfs/dbraw/zinc/89/73/08/679897308.db2.gz FEDWTZOLLOKNLP-HUUCEWRRSA-N 2 2 354.451 -1.652 20 0 FAADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]2O)CC1 ZINC001077618283 679897476 /nfs/dbraw/zinc/89/74/76/679897476.db2.gz FGXCCSWVYNRZNT-BPLDGKMQSA-N 2 2 359.492 -1.076 20 0 FAADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]2O)CC1 ZINC001077618283 679897472 /nfs/dbraw/zinc/89/74/72/679897472.db2.gz FGXCCSWVYNRZNT-BPLDGKMQSA-N 2 2 359.492 -1.076 20 0 FAADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]2O)CC1 ZINC001077618284 679897568 /nfs/dbraw/zinc/89/75/68/679897568.db2.gz FGXCCSWVYNRZNT-NWANDNLSSA-N 2 2 359.492 -1.076 20 0 FAADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]2O)CC1 ZINC001077618284 679897564 /nfs/dbraw/zinc/89/75/64/679897564.db2.gz FGXCCSWVYNRZNT-NWANDNLSSA-N 2 2 359.492 -1.076 20 0 FAADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001077675154 679900328 /nfs/dbraw/zinc/90/03/28/679900328.db2.gz CPGWMZAKHAMPNC-BFHYXJOUSA-N 2 2 352.435 -1.219 20 0 FAADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001077675154 679900326 /nfs/dbraw/zinc/90/03/26/679900326.db2.gz CPGWMZAKHAMPNC-BFHYXJOUSA-N 2 2 352.435 -1.219 20 0 FAADLP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001077675154 679900325 /nfs/dbraw/zinc/90/03/25/679900325.db2.gz CPGWMZAKHAMPNC-BFHYXJOUSA-N 2 2 352.435 -1.219 20 0 FAADLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001077675154 679900324 /nfs/dbraw/zinc/90/03/24/679900324.db2.gz CPGWMZAKHAMPNC-BFHYXJOUSA-N 2 2 352.435 -1.219 20 0 FAADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001077675155 679900262 /nfs/dbraw/zinc/90/02/62/679900262.db2.gz CPGWMZAKHAMPNC-MGPQQGTHSA-N 2 2 352.435 -1.219 20 0 FAADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001077675155 679900260 /nfs/dbraw/zinc/90/02/60/679900260.db2.gz CPGWMZAKHAMPNC-MGPQQGTHSA-N 2 2 352.435 -1.219 20 0 FAADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001077675155 679900258 /nfs/dbraw/zinc/90/02/58/679900258.db2.gz CPGWMZAKHAMPNC-MGPQQGTHSA-N 2 2 352.435 -1.219 20 0 FAADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001077675155 679900256 /nfs/dbraw/zinc/90/02/56/679900256.db2.gz CPGWMZAKHAMPNC-MGPQQGTHSA-N 2 2 352.435 -1.219 20 0 FAADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001077675764 679900124 /nfs/dbraw/zinc/90/01/24/679900124.db2.gz YCAAAAUMDZDHJN-JHJVBQTASA-N 2 2 353.423 -1.816 20 0 FAADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001077675764 679900120 /nfs/dbraw/zinc/90/01/20/679900120.db2.gz YCAAAAUMDZDHJN-JHJVBQTASA-N 2 2 353.423 -1.816 20 0 FAADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001077675764 679900116 /nfs/dbraw/zinc/90/01/16/679900116.db2.gz YCAAAAUMDZDHJN-JHJVBQTASA-N 2 2 353.423 -1.816 20 0 FAADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001077675764 679900114 /nfs/dbraw/zinc/90/01/14/679900114.db2.gz YCAAAAUMDZDHJN-JHJVBQTASA-N 2 2 353.423 -1.816 20 0 FAADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001077675765 679900443 /nfs/dbraw/zinc/90/04/43/679900443.db2.gz YCAAAAUMDZDHJN-YNEHKIRRSA-N 2 2 353.423 -1.816 20 0 FAADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001077675765 679900441 /nfs/dbraw/zinc/90/04/41/679900441.db2.gz YCAAAAUMDZDHJN-YNEHKIRRSA-N 2 2 353.423 -1.816 20 0 FAADLP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001077675765 679900439 /nfs/dbraw/zinc/90/04/39/679900439.db2.gz YCAAAAUMDZDHJN-YNEHKIRRSA-N 2 2 353.423 -1.816 20 0 FAADLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001077675765 679900437 /nfs/dbraw/zinc/90/04/37/679900437.db2.gz YCAAAAUMDZDHJN-YNEHKIRRSA-N 2 2 353.423 -1.816 20 0 FAADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]2O)C1 ZINC001077678977 679900150 /nfs/dbraw/zinc/90/01/50/679900150.db2.gz DFJCKIPBMHAYPL-JHJVBQTASA-N 2 2 353.423 -1.959 20 0 FAADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]2O)C1 ZINC001077678977 679900148 /nfs/dbraw/zinc/90/01/48/679900148.db2.gz DFJCKIPBMHAYPL-JHJVBQTASA-N 2 2 353.423 -1.959 20 0 FAADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@H]2O)C1 ZINC001077678977 679900145 /nfs/dbraw/zinc/90/01/45/679900145.db2.gz DFJCKIPBMHAYPL-JHJVBQTASA-N 2 2 353.423 -1.959 20 0 FAADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@H]2O)C1 ZINC001077678977 679900141 /nfs/dbraw/zinc/90/01/41/679900141.db2.gz DFJCKIPBMHAYPL-JHJVBQTASA-N 2 2 353.423 -1.959 20 0 FAADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]2O)C1 ZINC001077678978 679900384 /nfs/dbraw/zinc/90/03/84/679900384.db2.gz DFJCKIPBMHAYPL-YNEHKIRRSA-N 2 2 353.423 -1.959 20 0 FAADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]2O)C1 ZINC001077678978 679900381 /nfs/dbraw/zinc/90/03/81/679900381.db2.gz DFJCKIPBMHAYPL-YNEHKIRRSA-N 2 2 353.423 -1.959 20 0 FAADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@H]2O)C1 ZINC001077678978 679900379 /nfs/dbraw/zinc/90/03/79/679900379.db2.gz DFJCKIPBMHAYPL-YNEHKIRRSA-N 2 2 353.423 -1.959 20 0 FAADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@H]2O)C1 ZINC001077678978 679900376 /nfs/dbraw/zinc/90/03/76/679900376.db2.gz DFJCKIPBMHAYPL-YNEHKIRRSA-N 2 2 353.423 -1.959 20 0 FAADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@H]2O)C1 ZINC001077680520 679900236 /nfs/dbraw/zinc/90/02/36/679900236.db2.gz LDERALWJPJDBMK-BFHYXJOUSA-N 2 2 352.435 -1.362 20 0 FAADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@H]2O)C1 ZINC001077680520 679900234 /nfs/dbraw/zinc/90/02/34/679900234.db2.gz LDERALWJPJDBMK-BFHYXJOUSA-N 2 2 352.435 -1.362 20 0 FAADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@H]2O)C1 ZINC001077680520 679900232 /nfs/dbraw/zinc/90/02/32/679900232.db2.gz LDERALWJPJDBMK-BFHYXJOUSA-N 2 2 352.435 -1.362 20 0 FAADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@H]2O)C1 ZINC001077680520 679900229 /nfs/dbraw/zinc/90/02/29/679900229.db2.gz LDERALWJPJDBMK-BFHYXJOUSA-N 2 2 352.435 -1.362 20 0 FAADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@H]2O)C1 ZINC001077680521 679900178 /nfs/dbraw/zinc/90/01/78/679900178.db2.gz LDERALWJPJDBMK-MGPQQGTHSA-N 2 2 352.435 -1.362 20 0 FAADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@H]2O)C1 ZINC001077680521 679900174 /nfs/dbraw/zinc/90/01/74/679900174.db2.gz LDERALWJPJDBMK-MGPQQGTHSA-N 2 2 352.435 -1.362 20 0 FAADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@H]2O)C1 ZINC001077680521 679900170 /nfs/dbraw/zinc/90/01/70/679900170.db2.gz LDERALWJPJDBMK-MGPQQGTHSA-N 2 2 352.435 -1.362 20 0 FAADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@H]2O)C1 ZINC001077680521 679900167 /nfs/dbraw/zinc/90/01/67/679900167.db2.gz LDERALWJPJDBMK-MGPQQGTHSA-N 2 2 352.435 -1.362 20 0 FAADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]2O)C1 ZINC001077685498 679900414 /nfs/dbraw/zinc/90/04/14/679900414.db2.gz VHIGDADQMARSMY-ZIAGYGMSSA-N 2 2 353.467 -1.095 20 0 FAADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@H]2O)C1 ZINC001077685498 679900412 /nfs/dbraw/zinc/90/04/12/679900412.db2.gz VHIGDADQMARSMY-ZIAGYGMSSA-N 2 2 353.467 -1.095 20 0 FAADLP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)C[C@H]2O)C1 ZINC001077685498 679900410 /nfs/dbraw/zinc/90/04/10/679900410.db2.gz VHIGDADQMARSMY-ZIAGYGMSSA-N 2 2 353.467 -1.095 20 0 FAADLP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)C[C@H]2O)C1 ZINC001077685498 679900405 /nfs/dbraw/zinc/90/04/05/679900405.db2.gz VHIGDADQMARSMY-ZIAGYGMSSA-N 2 2 353.467 -1.095 20 0 FAADLP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]2O)CC1 ZINC001077778739 679904917 /nfs/dbraw/zinc/90/49/17/679904917.db2.gz ZCINELWFYHHGFZ-HZSPNIEDSA-N 2 2 352.435 -1.315 20 0 FAADLP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]2O)CC1 ZINC001077778739 679904913 /nfs/dbraw/zinc/90/49/13/679904913.db2.gz ZCINELWFYHHGFZ-HZSPNIEDSA-N 2 2 352.435 -1.315 20 0 FAADLP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]2O)CC1 ZINC001077778740 679904972 /nfs/dbraw/zinc/90/49/72/679904972.db2.gz ZCINELWFYHHGFZ-MGPQQGTHSA-N 2 2 352.435 -1.315 20 0 FAADLP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]2O)CC1 ZINC001077778740 679904969 /nfs/dbraw/zinc/90/49/69/679904969.db2.gz ZCINELWFYHHGFZ-MGPQQGTHSA-N 2 2 352.435 -1.315 20 0 FAADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001077817892 679906365 /nfs/dbraw/zinc/90/63/65/679906365.db2.gz AGAZGJRWQZZHGT-HZSPNIEDSA-N 2 2 352.439 -1.517 20 0 FAADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001077817892 679906361 /nfs/dbraw/zinc/90/63/61/679906361.db2.gz AGAZGJRWQZZHGT-HZSPNIEDSA-N 2 2 352.439 -1.517 20 0 FAADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001077817895 679906219 /nfs/dbraw/zinc/90/62/19/679906219.db2.gz AGAZGJRWQZZHGT-MGPQQGTHSA-N 2 2 352.439 -1.517 20 0 FAADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001077817895 679906217 /nfs/dbraw/zinc/90/62/17/679906217.db2.gz AGAZGJRWQZZHGT-MGPQQGTHSA-N 2 2 352.439 -1.517 20 0 FAADLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]2O)CC1 ZINC001077892798 679911260 /nfs/dbraw/zinc/91/12/60/679911260.db2.gz KGVRGJGVBGDLTG-HUUCEWRRSA-N 2 2 353.467 -1.095 20 0 FAADLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@H]2O)CC1 ZINC001077892798 679911256 /nfs/dbraw/zinc/91/12/56/679911256.db2.gz KGVRGJGVBGDLTG-HUUCEWRRSA-N 2 2 353.467 -1.095 20 0 FAADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@H]2O)C1 ZINC001078005826 679920139 /nfs/dbraw/zinc/92/01/39/679920139.db2.gz KBVXPEVIQICBOB-RBSFLKMASA-N 2 2 354.451 -1.652 20 0 FAADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@H]2O)C1 ZINC001078005826 679920134 /nfs/dbraw/zinc/92/01/34/679920134.db2.gz KBVXPEVIQICBOB-RBSFLKMASA-N 2 2 354.451 -1.652 20 0 FAADLP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CC(=O)N3CCOCC3)C[C@H]2O)C1 ZINC001078005826 679920129 /nfs/dbraw/zinc/92/01/29/679920129.db2.gz KBVXPEVIQICBOB-RBSFLKMASA-N 2 2 354.451 -1.652 20 0 FAADLP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CC(=O)N3CCOCC3)C[C@H]2O)C1 ZINC001078005826 679920123 /nfs/dbraw/zinc/92/01/23/679920123.db2.gz KBVXPEVIQICBOB-RBSFLKMASA-N 2 2 354.451 -1.652 20 0 FAADLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@H]2O)C1 ZINC001078005827 679919865 /nfs/dbraw/zinc/91/98/65/679919865.db2.gz KBVXPEVIQICBOB-RRFJBIMHSA-N 2 2 354.451 -1.652 20 0 FAADLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@H]2O)C1 ZINC001078005827 679919857 /nfs/dbraw/zinc/91/98/57/679919857.db2.gz KBVXPEVIQICBOB-RRFJBIMHSA-N 2 2 354.451 -1.652 20 0 FAADLP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CC(=O)N3CCOCC3)C[C@H]2O)C1 ZINC001078005827 679919851 /nfs/dbraw/zinc/91/98/51/679919851.db2.gz KBVXPEVIQICBOB-RRFJBIMHSA-N 2 2 354.451 -1.652 20 0 FAADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CC(=O)N3CCOCC3)C[C@H]2O)C1 ZINC001078005827 679919844 /nfs/dbraw/zinc/91/98/44/679919844.db2.gz KBVXPEVIQICBOB-RRFJBIMHSA-N 2 2 354.451 -1.652 20 0 FAADLP O=C(N[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078010667 679919801 /nfs/dbraw/zinc/91/98/01/679919801.db2.gz FNTBLLRXMZMXSD-BFHYXJOUSA-N 2 2 357.476 -1.322 20 0 FAADLP O=C(N[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078010667 679919792 /nfs/dbraw/zinc/91/97/92/679919792.db2.gz FNTBLLRXMZMXSD-BFHYXJOUSA-N 2 2 357.476 -1.322 20 0 FAADLP O=C(N[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078010668 679919678 /nfs/dbraw/zinc/91/96/78/679919678.db2.gz FNTBLLRXMZMXSD-MGPQQGTHSA-N 2 2 357.476 -1.322 20 0 FAADLP O=C(N[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078010668 679919673 /nfs/dbraw/zinc/91/96/73/679919673.db2.gz FNTBLLRXMZMXSD-MGPQQGTHSA-N 2 2 357.476 -1.322 20 0 FAADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC3CCS(=O)(=O)CC3)C[C@H]2O)C1 ZINC001078174376 679933523 /nfs/dbraw/zinc/93/35/23/679933523.db2.gz JQSUGRJCDHGBHZ-RBSFLKMASA-N 2 2 359.492 -1.076 20 0 FAADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CC3CCS(=O)(=O)CC3)C[C@H]2O)C1 ZINC001078174376 679933520 /nfs/dbraw/zinc/93/35/20/679933520.db2.gz JQSUGRJCDHGBHZ-RBSFLKMASA-N 2 2 359.492 -1.076 20 0 FAADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCS(=O)(=O)CC3)C[C@H]2O)C1 ZINC001078174376 679933513 /nfs/dbraw/zinc/93/35/13/679933513.db2.gz JQSUGRJCDHGBHZ-RBSFLKMASA-N 2 2 359.492 -1.076 20 0 FAADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCS(=O)(=O)CC3)C[C@H]2O)C1 ZINC001078174376 679933507 /nfs/dbraw/zinc/93/35/07/679933507.db2.gz JQSUGRJCDHGBHZ-RBSFLKMASA-N 2 2 359.492 -1.076 20 0 FAADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CCS(=O)(=O)CC3)C[C@H]2O)C1 ZINC001078174377 679933985 /nfs/dbraw/zinc/93/39/85/679933985.db2.gz JQSUGRJCDHGBHZ-RRFJBIMHSA-N 2 2 359.492 -1.076 20 0 FAADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CC3CCS(=O)(=O)CC3)C[C@H]2O)C1 ZINC001078174377 679933982 /nfs/dbraw/zinc/93/39/82/679933982.db2.gz JQSUGRJCDHGBHZ-RRFJBIMHSA-N 2 2 359.492 -1.076 20 0 FAADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC3CCS(=O)(=O)CC3)C[C@H]2O)C1 ZINC001078174377 679933978 /nfs/dbraw/zinc/93/39/78/679933978.db2.gz JQSUGRJCDHGBHZ-RRFJBIMHSA-N 2 2 359.492 -1.076 20 0 FAADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC3CCS(=O)(=O)CC3)C[C@H]2O)C1 ZINC001078174377 679933975 /nfs/dbraw/zinc/93/39/75/679933975.db2.gz JQSUGRJCDHGBHZ-RRFJBIMHSA-N 2 2 359.492 -1.076 20 0 FAADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCN3CCCS3(=O)=O)C[C@H]2O)C1 ZINC001078174591 679933677 /nfs/dbraw/zinc/93/36/77/679933677.db2.gz PYGHNFJVKYQRSQ-BFHYXJOUSA-N 2 2 360.480 -1.865 20 0 FAADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCN3CCCS3(=O)=O)C[C@H]2O)C1 ZINC001078174591 679933672 /nfs/dbraw/zinc/93/36/72/679933672.db2.gz PYGHNFJVKYQRSQ-BFHYXJOUSA-N 2 2 360.480 -1.865 20 0 FAADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCN3CCCS3(=O)=O)C[C@H]2O)C1 ZINC001078174591 679933670 /nfs/dbraw/zinc/93/36/70/679933670.db2.gz PYGHNFJVKYQRSQ-BFHYXJOUSA-N 2 2 360.480 -1.865 20 0 FAADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCN3CCCS3(=O)=O)C[C@H]2O)C1 ZINC001078174591 679933665 /nfs/dbraw/zinc/93/36/65/679933665.db2.gz PYGHNFJVKYQRSQ-BFHYXJOUSA-N 2 2 360.480 -1.865 20 0 FAADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCN3CCCS3(=O)=O)C[C@H]2O)C1 ZINC001078174592 679933584 /nfs/dbraw/zinc/93/35/84/679933584.db2.gz PYGHNFJVKYQRSQ-MGPQQGTHSA-N 2 2 360.480 -1.865 20 0 FAADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCN3CCCS3(=O)=O)C[C@H]2O)C1 ZINC001078174592 679933577 /nfs/dbraw/zinc/93/35/77/679933577.db2.gz PYGHNFJVKYQRSQ-MGPQQGTHSA-N 2 2 360.480 -1.865 20 0 FAADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCN3CCCS3(=O)=O)C[C@H]2O)C1 ZINC001078174592 679933568 /nfs/dbraw/zinc/93/35/68/679933568.db2.gz PYGHNFJVKYQRSQ-MGPQQGTHSA-N 2 2 360.480 -1.865 20 0 FAADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCN3CCCS3(=O)=O)C[C@H]2O)C1 ZINC001078174592 679933561 /nfs/dbraw/zinc/93/35/61/679933561.db2.gz PYGHNFJVKYQRSQ-MGPQQGTHSA-N 2 2 360.480 -1.865 20 0 FAADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1O ZINC001078179155 679932412 /nfs/dbraw/zinc/93/24/12/679932412.db2.gz VLKHHHIIMFADKE-RRFJBIMHSA-N 2 2 354.451 -1.773 20 0 FAADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1O ZINC001078179155 679932408 /nfs/dbraw/zinc/93/24/08/679932408.db2.gz VLKHHHIIMFADKE-RRFJBIMHSA-N 2 2 354.451 -1.773 20 0 FAADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@H]1O ZINC001078179872 679932172 /nfs/dbraw/zinc/93/21/72/679932172.db2.gz BNZBVXZASWICFU-CHWSQXEVSA-N 2 2 353.423 -1.815 20 0 FAADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)C[C@H]1O ZINC001078179872 679932167 /nfs/dbraw/zinc/93/21/67/679932167.db2.gz BNZBVXZASWICFU-CHWSQXEVSA-N 2 2 353.423 -1.815 20 0 FAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001078182175 679937411 /nfs/dbraw/zinc/93/74/11/679937411.db2.gz JDHKNYJMTJTPJV-VXGBXAGGSA-N 2 2 350.379 -2.095 20 0 FAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001078182175 679937409 /nfs/dbraw/zinc/93/74/09/679937409.db2.gz JDHKNYJMTJTPJV-VXGBXAGGSA-N 2 2 350.379 -2.095 20 0 FAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001078183191 679933904 /nfs/dbraw/zinc/93/39/04/679933904.db2.gz FEKSKZZEYBFNLE-ZIAGYGMSSA-N 2 2 371.463 -1.612 20 0 FAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001078183191 679933902 /nfs/dbraw/zinc/93/39/02/679933902.db2.gz FEKSKZZEYBFNLE-ZIAGYGMSSA-N 2 2 371.463 -1.612 20 0 FAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]2O)C1 ZINC001078205909 679939624 /nfs/dbraw/zinc/93/96/24/679939624.db2.gz JADCTVMBRPDPLP-KFWWJZLASA-N 2 2 354.451 -1.509 20 0 FAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@H]2O)C1 ZINC001078205909 679939621 /nfs/dbraw/zinc/93/96/21/679939621.db2.gz JADCTVMBRPDPLP-KFWWJZLASA-N 2 2 354.451 -1.509 20 0 FAADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCN3CCCC3=O)C[C@H]2O)C1 ZINC001078205909 679939618 /nfs/dbraw/zinc/93/96/18/679939618.db2.gz JADCTVMBRPDPLP-KFWWJZLASA-N 2 2 354.451 -1.509 20 0 FAADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCN3CCCC3=O)C[C@H]2O)C1 ZINC001078205909 679939615 /nfs/dbraw/zinc/93/96/15/679939615.db2.gz JADCTVMBRPDPLP-KFWWJZLASA-N 2 2 354.451 -1.509 20 0 FAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]2O)C1 ZINC001078205910 679939552 /nfs/dbraw/zinc/93/95/52/679939552.db2.gz JADCTVMBRPDPLP-RBSFLKMASA-N 2 2 354.451 -1.509 20 0 FAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@H]2O)C1 ZINC001078205910 679939550 /nfs/dbraw/zinc/93/95/50/679939550.db2.gz JADCTVMBRPDPLP-RBSFLKMASA-N 2 2 354.451 -1.509 20 0 FAADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCN3CCCC3=O)C[C@H]2O)C1 ZINC001078205910 679939548 /nfs/dbraw/zinc/93/95/48/679939548.db2.gz JADCTVMBRPDPLP-RBSFLKMASA-N 2 2 354.451 -1.509 20 0 FAADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCN3CCCC3=O)C[C@H]2O)C1 ZINC001078205910 679939544 /nfs/dbraw/zinc/93/95/44/679939544.db2.gz JADCTVMBRPDPLP-RBSFLKMASA-N 2 2 354.451 -1.509 20 0 FAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccnn3C)C[C@H]2O)C1 ZINC001078206191 679939757 /nfs/dbraw/zinc/93/97/57/679939757.db2.gz SKFUHKVGIACVPE-BZUAXINKSA-N 2 2 351.451 -1.155 20 0 FAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCc3ccnn3C)C[C@H]2O)C1 ZINC001078206191 679939753 /nfs/dbraw/zinc/93/97/53/679939753.db2.gz SKFUHKVGIACVPE-BZUAXINKSA-N 2 2 351.451 -1.155 20 0 FAADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccnn3C)C[C@H]2O)C1 ZINC001078206191 679939749 /nfs/dbraw/zinc/93/97/49/679939749.db2.gz SKFUHKVGIACVPE-BZUAXINKSA-N 2 2 351.451 -1.155 20 0 FAADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccnn3C)C[C@H]2O)C1 ZINC001078206191 679939745 /nfs/dbraw/zinc/93/97/45/679939745.db2.gz SKFUHKVGIACVPE-BZUAXINKSA-N 2 2 351.451 -1.155 20 0 FAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccnn3C)C[C@H]2O)C1 ZINC001078206192 679939468 /nfs/dbraw/zinc/93/94/68/679939468.db2.gz SKFUHKVGIACVPE-OAGGEKHMSA-N 2 2 351.451 -1.155 20 0 FAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCc3ccnn3C)C[C@H]2O)C1 ZINC001078206192 679939465 /nfs/dbraw/zinc/93/94/65/679939465.db2.gz SKFUHKVGIACVPE-OAGGEKHMSA-N 2 2 351.451 -1.155 20 0 FAADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccnn3C)C[C@H]2O)C1 ZINC001078206192 679939461 /nfs/dbraw/zinc/93/94/61/679939461.db2.gz SKFUHKVGIACVPE-OAGGEKHMSA-N 2 2 351.451 -1.155 20 0 FAADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccnn3C)C[C@H]2O)C1 ZINC001078206192 679939456 /nfs/dbraw/zinc/93/94/56/679939456.db2.gz SKFUHKVGIACVPE-OAGGEKHMSA-N 2 2 351.451 -1.155 20 0 FAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCc3cnn(C)c3)C[C@H]2O)C1 ZINC001078206202 679939568 /nfs/dbraw/zinc/93/95/68/679939568.db2.gz SRBZBPCAQDURNO-BZUAXINKSA-N 2 2 351.451 -1.155 20 0 FAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCc3cnn(C)c3)C[C@H]2O)C1 ZINC001078206202 679939566 /nfs/dbraw/zinc/93/95/66/679939566.db2.gz SRBZBPCAQDURNO-BZUAXINKSA-N 2 2 351.451 -1.155 20 0 FAADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCc3cnn(C)c3)C[C@H]2O)C1 ZINC001078206202 679939563 /nfs/dbraw/zinc/93/95/63/679939563.db2.gz SRBZBPCAQDURNO-BZUAXINKSA-N 2 2 351.451 -1.155 20 0 FAADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCc3cnn(C)c3)C[C@H]2O)C1 ZINC001078206202 679939561 /nfs/dbraw/zinc/93/95/61/679939561.db2.gz SRBZBPCAQDURNO-BZUAXINKSA-N 2 2 351.451 -1.155 20 0 FAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCc3cnn(C)c3)C[C@H]2O)C1 ZINC001078206203 679939602 /nfs/dbraw/zinc/93/96/02/679939602.db2.gz SRBZBPCAQDURNO-OAGGEKHMSA-N 2 2 351.451 -1.155 20 0 FAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCc3cnn(C)c3)C[C@H]2O)C1 ZINC001078206203 679939599 /nfs/dbraw/zinc/93/95/99/679939599.db2.gz SRBZBPCAQDURNO-OAGGEKHMSA-N 2 2 351.451 -1.155 20 0 FAADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCc3cnn(C)c3)C[C@H]2O)C1 ZINC001078206203 679939598 /nfs/dbraw/zinc/93/95/98/679939598.db2.gz SRBZBPCAQDURNO-OAGGEKHMSA-N 2 2 351.451 -1.155 20 0 FAADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCc3cnn(C)c3)C[C@H]2O)C1 ZINC001078206203 679939595 /nfs/dbraw/zinc/93/95/95/679939595.db2.gz SRBZBPCAQDURNO-OAGGEKHMSA-N 2 2 351.451 -1.155 20 0 FAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]2O)C1 ZINC001078209585 679938013 /nfs/dbraw/zinc/93/80/13/679938013.db2.gz JMWXAQDRDCAQGW-MCIONIFRSA-N 2 2 355.439 -2.106 20 0 FAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@H]2O)C1 ZINC001078209585 679938008 /nfs/dbraw/zinc/93/80/08/679938008.db2.gz JMWXAQDRDCAQGW-MCIONIFRSA-N 2 2 355.439 -2.106 20 0 FAADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)C[C@H]2O)C1 ZINC001078209585 679938002 /nfs/dbraw/zinc/93/80/02/679938002.db2.gz JMWXAQDRDCAQGW-MCIONIFRSA-N 2 2 355.439 -2.106 20 0 FAADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)C[C@H]2O)C1 ZINC001078209585 679937999 /nfs/dbraw/zinc/93/79/99/679937999.db2.gz JMWXAQDRDCAQGW-MCIONIFRSA-N 2 2 355.439 -2.106 20 0 FAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]2O)C1 ZINC001078209594 679938234 /nfs/dbraw/zinc/93/82/34/679938234.db2.gz JMWXAQDRDCAQGW-MGPQQGTHSA-N 2 2 355.439 -2.106 20 0 FAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@H]2O)C1 ZINC001078209594 679938232 /nfs/dbraw/zinc/93/82/32/679938232.db2.gz JMWXAQDRDCAQGW-MGPQQGTHSA-N 2 2 355.439 -2.106 20 0 FAADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)C[C@H]2O)C1 ZINC001078209594 679938227 /nfs/dbraw/zinc/93/82/27/679938227.db2.gz JMWXAQDRDCAQGW-MGPQQGTHSA-N 2 2 355.439 -2.106 20 0 FAADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)C[C@H]2O)C1 ZINC001078209594 679938223 /nfs/dbraw/zinc/93/82/23/679938223.db2.gz JMWXAQDRDCAQGW-MGPQQGTHSA-N 2 2 355.439 -2.106 20 0 FAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1O ZINC001078270745 679942776 /nfs/dbraw/zinc/94/27/76/679942776.db2.gz LWLQKMKGJXMANF-BFHYXJOUSA-N 2 2 351.407 -1.972 20 0 FAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1O ZINC001078270745 679942768 /nfs/dbraw/zinc/94/27/68/679942768.db2.gz LWLQKMKGJXMANF-BFHYXJOUSA-N 2 2 351.407 -1.972 20 0 FAADLP CS(=O)(=O)N1CC[C@@H](C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3)C2)C1 ZINC001078270778 679942597 /nfs/dbraw/zinc/94/25/97/679942597.db2.gz NVYYTWHORFASJQ-BFHYXJOUSA-N 2 2 371.463 -1.674 20 0 FAADLP CS(=O)(=O)N1CC[C@@H](C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3)C2)C1 ZINC001078270778 679942591 /nfs/dbraw/zinc/94/25/91/679942591.db2.gz NVYYTWHORFASJQ-BFHYXJOUSA-N 2 2 371.463 -1.674 20 0 FAADLP CS(=O)(=O)N1CC[C@H](C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3)C2)C1 ZINC001078270779 679942926 /nfs/dbraw/zinc/94/29/26/679942926.db2.gz NVYYTWHORFASJQ-MGPQQGTHSA-N 2 2 371.463 -1.674 20 0 FAADLP CS(=O)(=O)N1CC[C@H](C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3)C2)C1 ZINC001078270779 679942921 /nfs/dbraw/zinc/94/29/21/679942921.db2.gz NVYYTWHORFASJQ-MGPQQGTHSA-N 2 2 371.463 -1.674 20 0 FAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@H]1O ZINC001078272195 679943013 /nfs/dbraw/zinc/94/30/13/679943013.db2.gz LYJKUVADEKNNIS-VXGBXAGGSA-N 2 2 350.379 -2.014 20 0 FAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)C[C@H]1O ZINC001078272195 679943010 /nfs/dbraw/zinc/94/30/10/679943010.db2.gz LYJKUVADEKNNIS-VXGBXAGGSA-N 2 2 350.379 -2.014 20 0 FAADLP C[C@@H]1C[NH+](CC(=O)N2CCNC(=O)C2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001079495005 679980337 /nfs/dbraw/zinc/98/03/37/679980337.db2.gz VOPPZFVXNWFFNL-MCIONIFRSA-N 2 2 351.451 -1.525 20 0 FAADLP C[C@@H]1C[NH+](CC(=O)N2CCNC(=O)C2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001079495005 679980332 /nfs/dbraw/zinc/98/03/32/679980332.db2.gz VOPPZFVXNWFFNL-MCIONIFRSA-N 2 2 351.451 -1.525 20 0 FAADLP C[C@@H]1C[N@@H+](CC(=O)N2CCNC(=O)C2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001079495005 679980327 /nfs/dbraw/zinc/98/03/27/679980327.db2.gz VOPPZFVXNWFFNL-MCIONIFRSA-N 2 2 351.451 -1.525 20 0 FAADLP C[C@@H]1C[N@H+](CC(=O)N2CCNC(=O)C2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001079495005 679980322 /nfs/dbraw/zinc/98/03/22/679980322.db2.gz VOPPZFVXNWFFNL-MCIONIFRSA-N 2 2 351.451 -1.525 20 0 FAADLP C[C@@H]1C[NH+](CC(=O)N2CCNC(=O)C2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001079495006 679980308 /nfs/dbraw/zinc/98/03/08/679980308.db2.gz VOPPZFVXNWFFNL-MGPQQGTHSA-N 2 2 351.451 -1.525 20 0 FAADLP C[C@@H]1C[NH+](CC(=O)N2CCNC(=O)C2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001079495006 679980304 /nfs/dbraw/zinc/98/03/04/679980304.db2.gz VOPPZFVXNWFFNL-MGPQQGTHSA-N 2 2 351.451 -1.525 20 0 FAADLP C[C@@H]1C[N@@H+](CC(=O)N2CCNC(=O)C2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001079495006 679980298 /nfs/dbraw/zinc/98/02/98/679980298.db2.gz VOPPZFVXNWFFNL-MGPQQGTHSA-N 2 2 351.451 -1.525 20 0 FAADLP C[C@@H]1C[N@H+](CC(=O)N2CCNC(=O)C2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001079495006 679980296 /nfs/dbraw/zinc/98/02/96/679980296.db2.gz VOPPZFVXNWFFNL-MGPQQGTHSA-N 2 2 351.451 -1.525 20 0 FAADLP C[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001079528175 679980163 /nfs/dbraw/zinc/98/01/63/679980163.db2.gz YCKWAINVTHQIBT-MCIONIFRSA-N 2 2 352.435 -1.098 20 0 FAADLP C[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001079528175 679980160 /nfs/dbraw/zinc/98/01/60/679980160.db2.gz YCKWAINVTHQIBT-MCIONIFRSA-N 2 2 352.435 -1.098 20 0 FAADLP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001079528175 679980155 /nfs/dbraw/zinc/98/01/55/679980155.db2.gz YCKWAINVTHQIBT-MCIONIFRSA-N 2 2 352.435 -1.098 20 0 FAADLP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001079528175 679980152 /nfs/dbraw/zinc/98/01/52/679980152.db2.gz YCKWAINVTHQIBT-MCIONIFRSA-N 2 2 352.435 -1.098 20 0 FAADLP C[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001079528176 679980908 /nfs/dbraw/zinc/98/09/08/679980908.db2.gz YCKWAINVTHQIBT-MGPQQGTHSA-N 2 2 352.435 -1.098 20 0 FAADLP C[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001079528176 679980906 /nfs/dbraw/zinc/98/09/06/679980906.db2.gz YCKWAINVTHQIBT-MGPQQGTHSA-N 2 2 352.435 -1.098 20 0 FAADLP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001079528176 679980905 /nfs/dbraw/zinc/98/09/05/679980905.db2.gz YCKWAINVTHQIBT-MGPQQGTHSA-N 2 2 352.435 -1.098 20 0 FAADLP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001079528176 679980903 /nfs/dbraw/zinc/98/09/03/679980903.db2.gz YCKWAINVTHQIBT-MGPQQGTHSA-N 2 2 352.435 -1.098 20 0 FAADLP C[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001079528200 679980801 /nfs/dbraw/zinc/98/08/01/679980801.db2.gz ZCXDNDXHPNQZPU-JHJVBQTASA-N 2 2 353.423 -1.695 20 0 FAADLP C[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001079528200 679980795 /nfs/dbraw/zinc/98/07/95/679980795.db2.gz ZCXDNDXHPNQZPU-JHJVBQTASA-N 2 2 353.423 -1.695 20 0 FAADLP C[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001079528200 679980789 /nfs/dbraw/zinc/98/07/89/679980789.db2.gz ZCXDNDXHPNQZPU-JHJVBQTASA-N 2 2 353.423 -1.695 20 0 FAADLP C[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001079528200 679980785 /nfs/dbraw/zinc/98/07/85/679980785.db2.gz ZCXDNDXHPNQZPU-JHJVBQTASA-N 2 2 353.423 -1.695 20 0 FAADLP C[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001079528201 679980664 /nfs/dbraw/zinc/98/06/64/679980664.db2.gz ZCXDNDXHPNQZPU-UPJWGTAASA-N 2 2 353.423 -1.695 20 0 FAADLP C[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001079528201 679980659 /nfs/dbraw/zinc/98/06/59/679980659.db2.gz ZCXDNDXHPNQZPU-UPJWGTAASA-N 2 2 353.423 -1.695 20 0 FAADLP C[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001079528201 679980653 /nfs/dbraw/zinc/98/06/53/679980653.db2.gz ZCXDNDXHPNQZPU-UPJWGTAASA-N 2 2 353.423 -1.695 20 0 FAADLP C[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001079528201 679980651 /nfs/dbraw/zinc/98/06/51/679980651.db2.gz ZCXDNDXHPNQZPU-UPJWGTAASA-N 2 2 353.423 -1.695 20 0 FAADLP C[C@@H]1C[NH+](CC(=O)N2CCNC(=O)C2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001080935419 679997500 /nfs/dbraw/zinc/99/75/00/679997500.db2.gz UJYOKWPLENIHRP-HZSPNIEDSA-N 2 2 351.451 -1.667 20 0 FAADLP C[C@@H]1C[NH+](CC(=O)N2CCNC(=O)C2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001080935419 679997494 /nfs/dbraw/zinc/99/74/94/679997494.db2.gz UJYOKWPLENIHRP-HZSPNIEDSA-N 2 2 351.451 -1.667 20 0 FAADLP C[C@@H]1C[N@@H+](CC(=O)N2CCNC(=O)C2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001080935419 679997490 /nfs/dbraw/zinc/99/74/90/679997490.db2.gz UJYOKWPLENIHRP-HZSPNIEDSA-N 2 2 351.451 -1.667 20 0 FAADLP C[C@@H]1C[N@H+](CC(=O)N2CCNC(=O)C2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001080935419 679997482 /nfs/dbraw/zinc/99/74/82/679997482.db2.gz UJYOKWPLENIHRP-HZSPNIEDSA-N 2 2 351.451 -1.667 20 0 FAADLP C[C@@H]1C[NH+](CC(=O)N2CCNC(=O)C2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001080935420 679997590 /nfs/dbraw/zinc/99/75/90/679997590.db2.gz UJYOKWPLENIHRP-MGPQQGTHSA-N 2 2 351.451 -1.667 20 0 FAADLP C[C@@H]1C[NH+](CC(=O)N2CCNC(=O)C2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001080935420 679997585 /nfs/dbraw/zinc/99/75/85/679997585.db2.gz UJYOKWPLENIHRP-MGPQQGTHSA-N 2 2 351.451 -1.667 20 0 FAADLP C[C@@H]1C[N@@H+](CC(=O)N2CCNC(=O)C2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001080935420 679997578 /nfs/dbraw/zinc/99/75/78/679997578.db2.gz UJYOKWPLENIHRP-MGPQQGTHSA-N 2 2 351.451 -1.667 20 0 FAADLP C[C@@H]1C[N@H+](CC(=O)N2CCNC(=O)C2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001080935420 679997573 /nfs/dbraw/zinc/99/75/73/679997573.db2.gz UJYOKWPLENIHRP-MGPQQGTHSA-N 2 2 351.451 -1.667 20 0 FAADLP C[C@@H]1C[N@@H+](CC(=O)N2CCNC(=O)C2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001080943296 679997751 /nfs/dbraw/zinc/99/77/51/679997751.db2.gz ZYDGTWIGJMRLJS-ZIAGYGMSSA-N 2 2 351.451 -1.523 20 0 FAADLP C[C@@H]1C[N@H+](CC(=O)N2CCNC(=O)C2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001080943296 679997748 /nfs/dbraw/zinc/99/77/48/679997748.db2.gz ZYDGTWIGJMRLJS-ZIAGYGMSSA-N 2 2 351.451 -1.523 20 0 FAADLP CO[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001081445787 680004285 /nfs/dbraw/zinc/00/42/85/680004285.db2.gz ANGGNDZQWUKIFQ-FRRDWIJNSA-N 2 2 353.423 -1.552 20 0 FAADLP CO[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001081445787 680004275 /nfs/dbraw/zinc/00/42/75/680004275.db2.gz ANGGNDZQWUKIFQ-FRRDWIJNSA-N 2 2 353.423 -1.552 20 0 FAADLP CO[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001081445787 680004269 /nfs/dbraw/zinc/00/42/69/680004269.db2.gz ANGGNDZQWUKIFQ-FRRDWIJNSA-N 2 2 353.423 -1.552 20 0 FAADLP CO[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001081445787 680004263 /nfs/dbraw/zinc/00/42/63/680004263.db2.gz ANGGNDZQWUKIFQ-FRRDWIJNSA-N 2 2 353.423 -1.552 20 0 FAADLP CO[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001081445788 680004410 /nfs/dbraw/zinc/00/44/10/680004410.db2.gz ANGGNDZQWUKIFQ-JHJVBQTASA-N 2 2 353.423 -1.552 20 0 FAADLP CO[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001081445788 680004405 /nfs/dbraw/zinc/00/44/05/680004405.db2.gz ANGGNDZQWUKIFQ-JHJVBQTASA-N 2 2 353.423 -1.552 20 0 FAADLP CO[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001081445788 680004396 /nfs/dbraw/zinc/00/43/96/680004396.db2.gz ANGGNDZQWUKIFQ-JHJVBQTASA-N 2 2 353.423 -1.552 20 0 FAADLP CO[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001081445788 680004390 /nfs/dbraw/zinc/00/43/90/680004390.db2.gz ANGGNDZQWUKIFQ-JHJVBQTASA-N 2 2 353.423 -1.552 20 0 FAADLP CO[C@@H]1C[NH+](CCn2cncn2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001081848080 680016056 /nfs/dbraw/zinc/01/60/56/680016056.db2.gz LGDJPFFSMJPBSJ-KBUPBQIOSA-N 2 2 352.439 -1.187 20 0 FAADLP CO[C@@H]1C[NH+](CCn2cncn2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001081848080 680016049 /nfs/dbraw/zinc/01/60/49/680016049.db2.gz LGDJPFFSMJPBSJ-KBUPBQIOSA-N 2 2 352.439 -1.187 20 0 FAADLP CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081848080 680016046 /nfs/dbraw/zinc/01/60/46/680016046.db2.gz LGDJPFFSMJPBSJ-KBUPBQIOSA-N 2 2 352.439 -1.187 20 0 FAADLP CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081848080 680016037 /nfs/dbraw/zinc/01/60/37/680016037.db2.gz LGDJPFFSMJPBSJ-KBUPBQIOSA-N 2 2 352.439 -1.187 20 0 FAADLP CO[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082095838 680022702 /nfs/dbraw/zinc/02/27/02/680022702.db2.gz LIJFOBAYAKYSEE-HZSPNIEDSA-N 2 2 352.435 -1.051 20 0 FAADLP CO[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082095838 680022696 /nfs/dbraw/zinc/02/26/96/680022696.db2.gz LIJFOBAYAKYSEE-HZSPNIEDSA-N 2 2 352.435 -1.051 20 0 FAADLP CO[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082095839 680022490 /nfs/dbraw/zinc/02/24/90/680022490.db2.gz LIJFOBAYAKYSEE-MGPQQGTHSA-N 2 2 352.435 -1.051 20 0 FAADLP CO[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082095839 680022485 /nfs/dbraw/zinc/02/24/85/680022485.db2.gz LIJFOBAYAKYSEE-MGPQQGTHSA-N 2 2 352.435 -1.051 20 0 FAADLP CO[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328413 680031640 /nfs/dbraw/zinc/03/16/40/680031640.db2.gz SNCUGTAITHGNPH-FRRDWIJNSA-N 2 2 350.419 -1.297 20 0 FAADLP 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CO[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082368901 680035939 /nfs/dbraw/zinc/03/59/39/680035939.db2.gz QLAVUJPRHSNGQF-RBSFLKMASA-N 2 2 354.451 -1.388 20 0 FAADLP CO[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082368901 680035933 /nfs/dbraw/zinc/03/59/33/680035933.db2.gz QLAVUJPRHSNGQF-RBSFLKMASA-N 2 2 354.451 -1.388 20 0 FAADLP CO[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001082368902 680035437 /nfs/dbraw/zinc/03/54/37/680035437.db2.gz QLAVUJPRHSNGQF-RRFJBIMHSA-N 2 2 354.451 -1.388 20 0 FAADLP CO[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001082368902 680035434 /nfs/dbraw/zinc/03/54/34/680035434.db2.gz QLAVUJPRHSNGQF-RRFJBIMHSA-N 2 2 354.451 -1.388 20 0 FAADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082368902 680035430 /nfs/dbraw/zinc/03/54/30/680035430.db2.gz QLAVUJPRHSNGQF-RRFJBIMHSA-N 2 2 354.451 -1.388 20 0 FAADLP CO[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082368902 680035425 /nfs/dbraw/zinc/03/54/25/680035425.db2.gz QLAVUJPRHSNGQF-RRFJBIMHSA-N 2 2 354.451 -1.388 20 0 FAADLP CO[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001082370897 680035381 /nfs/dbraw/zinc/03/53/81/680035381.db2.gz HWHYVQVCSVURMI-CHWSQXEVSA-N 2 2 353.423 -1.551 20 0 FAADLP CO[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001082370897 680035378 /nfs/dbraw/zinc/03/53/78/680035378.db2.gz HWHYVQVCSVURMI-CHWSQXEVSA-N 2 2 353.423 -1.551 20 0 FAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2OC)C1 ZINC001082377086 680036947 /nfs/dbraw/zinc/03/69/47/680036947.db2.gz CEJRGILVFHMQSD-KFWWJZLASA-N 2 2 352.439 -1.186 20 0 FAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2OC)C1 ZINC001082377086 680036944 /nfs/dbraw/zinc/03/69/44/680036944.db2.gz CEJRGILVFHMQSD-KFWWJZLASA-N 2 2 352.439 -1.186 20 0 FAADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@H]2OC)C1 ZINC001082377086 680036941 /nfs/dbraw/zinc/03/69/41/680036941.db2.gz CEJRGILVFHMQSD-KFWWJZLASA-N 2 2 352.439 -1.186 20 0 FAADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@H]2OC)C1 ZINC001082377086 680036938 /nfs/dbraw/zinc/03/69/38/680036938.db2.gz CEJRGILVFHMQSD-KFWWJZLASA-N 2 2 352.439 -1.186 20 0 FAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2OC)C1 ZINC001082377087 680037014 /nfs/dbraw/zinc/03/70/14/680037014.db2.gz CEJRGILVFHMQSD-RBSFLKMASA-N 2 2 352.439 -1.186 20 0 FAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2OC)C1 ZINC001082377087 680037012 /nfs/dbraw/zinc/03/70/12/680037012.db2.gz CEJRGILVFHMQSD-RBSFLKMASA-N 2 2 352.439 -1.186 20 0 FAADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@H]2OC)C1 ZINC001082377087 680037006 /nfs/dbraw/zinc/03/70/06/680037006.db2.gz CEJRGILVFHMQSD-RBSFLKMASA-N 2 2 352.439 -1.186 20 0 FAADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@H]2OC)C1 ZINC001082377087 680037000 /nfs/dbraw/zinc/03/70/00/680037000.db2.gz CEJRGILVFHMQSD-RBSFLKMASA-N 2 2 352.439 -1.186 20 0 FAADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001082590259 680042427 /nfs/dbraw/zinc/04/24/27/680042427.db2.gz LVPGLJVTDDOSLS-FDYHWXHSSA-N 2 2 352.439 -1.236 20 0 FAADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001082590259 680042419 /nfs/dbraw/zinc/04/24/19/680042419.db2.gz LVPGLJVTDDOSLS-FDYHWXHSSA-N 2 2 352.439 -1.236 20 0 FAADLP C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H]1[NH2+]CC(N)=O ZINC001082657379 680043808 /nfs/dbraw/zinc/04/38/08/680043808.db2.gz VHVZTQPBPOKANP-TUVASFSCSA-N 2 2 354.451 -1.212 20 0 FAADLP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001082807986 680046579 /nfs/dbraw/zinc/04/65/79/680046579.db2.gz OPHMHMUJCKENMX-CHWSQXEVSA-N 2 2 352.439 -1.233 20 0 FAADLP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001082933898 680049506 /nfs/dbraw/zinc/04/95/06/680049506.db2.gz OAIQVLOXXOHTIX-JHJVBQTASA-N 2 2 352.439 -1.234 20 0 FAADLP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001082933898 680049503 /nfs/dbraw/zinc/04/95/03/680049503.db2.gz OAIQVLOXXOHTIX-JHJVBQTASA-N 2 2 352.439 -1.234 20 0 FAADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001082933899 680049189 /nfs/dbraw/zinc/04/91/89/680049189.db2.gz OAIQVLOXXOHTIX-UPJWGTAASA-N 2 2 352.439 -1.234 20 0 FAADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001082933899 680049185 /nfs/dbraw/zinc/04/91/85/680049185.db2.gz OAIQVLOXXOHTIX-UPJWGTAASA-N 2 2 352.439 -1.234 20 0 FAADLP O=C(CC[NH+]1CCOCC1)N1CCO[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001083224467 679505959 /nfs/dbraw/zinc/50/59/59/679505959.db2.gz AAUUZEUVWAYGAD-QLFBSQMISA-N 2 2 352.435 -1.491 20 0 FAADLP O=C(CC[NH+]1CCOCC1)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001083224467 679505956 /nfs/dbraw/zinc/50/59/56/679505956.db2.gz AAUUZEUVWAYGAD-QLFBSQMISA-N 2 2 352.435 -1.491 20 0 FAADLP O=C(CC[NH+]1CCOCC1)N1CCO[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001083224468 679506012 /nfs/dbraw/zinc/50/60/12/679506012.db2.gz AAUUZEUVWAYGAD-SOUVJXGZSA-N 2 2 352.435 -1.491 20 0 FAADLP O=C(CC[NH+]1CCOCC1)N1CCO[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001083224468 679506009 /nfs/dbraw/zinc/50/60/09/679506009.db2.gz AAUUZEUVWAYGAD-SOUVJXGZSA-N 2 2 352.435 -1.491 20 0 FAADLP O=C(C[NH+]1CCCC1)N1CCO[C@@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]21 ZINC001083275657 679508944 /nfs/dbraw/zinc/50/89/44/679508944.db2.gz PWJBKMZOHVDELE-HZSPNIEDSA-N 2 2 350.419 -1.201 20 0 FAADLP O=C(C[NH+]1CCCC1)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]21 ZINC001083275657 679508942 /nfs/dbraw/zinc/50/89/42/679508942.db2.gz PWJBKMZOHVDELE-HZSPNIEDSA-N 2 2 350.419 -1.201 20 0 FAADLP O=C(C[NH+]1CCCC1)N1CCO[C@@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@@H]21 ZINC001083275658 679508954 /nfs/dbraw/zinc/50/89/54/679508954.db2.gz PWJBKMZOHVDELE-MELADBBJSA-N 2 2 350.419 -1.201 20 0 FAADLP O=C(C[NH+]1CCCC1)N1CCO[C@@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@@H]21 ZINC001083275658 679508952 /nfs/dbraw/zinc/50/89/52/679508952.db2.gz PWJBKMZOHVDELE-MELADBBJSA-N 2 2 350.419 -1.201 20 0 FAADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)C[C@@H]1O ZINC001083373046 679525120 /nfs/dbraw/zinc/52/51/20/679525120.db2.gz PVINZUHOQGTFHU-AGIUHOORSA-N 2 2 353.423 -1.816 20 0 FAADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@@H]1O ZINC001083373046 679525118 /nfs/dbraw/zinc/52/51/18/679525118.db2.gz PVINZUHOQGTFHU-AGIUHOORSA-N 2 2 353.423 -1.816 20 0 FAADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCN2C(=O)CNC2=O)C[C@@H]1O ZINC001083373046 679525114 /nfs/dbraw/zinc/52/51/14/679525114.db2.gz PVINZUHOQGTFHU-AGIUHOORSA-N 2 2 353.423 -1.816 20 0 FAADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCN2C(=O)CNC2=O)C[C@@H]1O ZINC001083373046 679525112 /nfs/dbraw/zinc/52/51/12/679525112.db2.gz PVINZUHOQGTFHU-AGIUHOORSA-N 2 2 353.423 -1.816 20 0 FAADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)C[C@@H]1O ZINC001083373047 679525131 /nfs/dbraw/zinc/52/51/31/679525131.db2.gz PVINZUHOQGTFHU-UPJWGTAASA-N 2 2 353.423 -1.816 20 0 FAADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@@H]1O ZINC001083373047 679525129 /nfs/dbraw/zinc/52/51/29/679525129.db2.gz PVINZUHOQGTFHU-UPJWGTAASA-N 2 2 353.423 -1.816 20 0 FAADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCN2C(=O)CNC2=O)C[C@@H]1O ZINC001083373047 679525127 /nfs/dbraw/zinc/52/51/27/679525127.db2.gz PVINZUHOQGTFHU-UPJWGTAASA-N 2 2 353.423 -1.816 20 0 FAADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCN2C(=O)CNC2=O)C[C@@H]1O ZINC001083373047 679525125 /nfs/dbraw/zinc/52/51/25/679525125.db2.gz PVINZUHOQGTFHU-UPJWGTAASA-N 2 2 353.423 -1.816 20 0 FAADLP Cc1noc(CCC[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)CCO3)[C@@H](O)C2)n1 ZINC001083385136 679526065 /nfs/dbraw/zinc/52/60/65/679526065.db2.gz FFBFJWTVRDEGRJ-HZSPNIEDSA-N 2 2 353.423 -1.197 20 0 FAADLP Cc1noc(CCC[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)CCO3)[C@@H](O)C2)n1 ZINC001083385136 679526063 /nfs/dbraw/zinc/52/60/63/679526063.db2.gz FFBFJWTVRDEGRJ-HZSPNIEDSA-N 2 2 353.423 -1.197 20 0 FAADLP Cc1noc(CCC[NH+]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H](O)C2)n1 ZINC001083385136 679526062 /nfs/dbraw/zinc/52/60/62/679526062.db2.gz FFBFJWTVRDEGRJ-HZSPNIEDSA-N 2 2 353.423 -1.197 20 0 FAADLP Cc1noc(CCC[NH+]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)[C@@H](O)C2)n1 ZINC001083385136 679526060 /nfs/dbraw/zinc/52/60/60/679526060.db2.gz FFBFJWTVRDEGRJ-HZSPNIEDSA-N 2 2 353.423 -1.197 20 0 FAADLP Cc1noc(CCC[N@@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+](C)CCO3)[C@@H](O)C2)n1 ZINC001083385137 679526109 /nfs/dbraw/zinc/52/61/09/679526109.db2.gz FFBFJWTVRDEGRJ-RDBSUJKOSA-N 2 2 353.423 -1.197 20 0 FAADLP Cc1noc(CCC[N@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+](C)CCO3)[C@@H](O)C2)n1 ZINC001083385137 679526108 /nfs/dbraw/zinc/52/61/08/679526108.db2.gz FFBFJWTVRDEGRJ-RDBSUJKOSA-N 2 2 353.423 -1.197 20 0 FAADLP Cc1noc(CCC[NH+]2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H](O)C2)n1 ZINC001083385137 679526106 /nfs/dbraw/zinc/52/61/06/679526106.db2.gz FFBFJWTVRDEGRJ-RDBSUJKOSA-N 2 2 353.423 -1.197 20 0 FAADLP Cc1noc(CCC[NH+]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H](O)C2)n1 ZINC001083385137 679526105 /nfs/dbraw/zinc/52/61/05/679526105.db2.gz FFBFJWTVRDEGRJ-RDBSUJKOSA-N 2 2 353.423 -1.197 20 0 FAADLP Cc1cc(C)n(CC[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)CCO3)[C@@H](O)C2)n1 ZINC001083385314 679526335 /nfs/dbraw/zinc/52/63/35/679526335.db2.gz KOISHKYDXDGBFT-OWCLPIDISA-N 2 2 351.451 -1.008 20 0 FAADLP Cc1cc(C)n(CC[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)CCO3)[C@@H](O)C2)n1 ZINC001083385314 679526332 /nfs/dbraw/zinc/52/63/32/679526332.db2.gz KOISHKYDXDGBFT-OWCLPIDISA-N 2 2 351.451 -1.008 20 0 FAADLP Cc1cc(C)n(CC[NH+]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H](O)C2)n1 ZINC001083385314 679526330 /nfs/dbraw/zinc/52/63/30/679526330.db2.gz KOISHKYDXDGBFT-OWCLPIDISA-N 2 2 351.451 -1.008 20 0 FAADLP Cc1cc(C)n(CC[NH+]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)[C@@H](O)C2)n1 ZINC001083385314 679526329 /nfs/dbraw/zinc/52/63/29/679526329.db2.gz KOISHKYDXDGBFT-OWCLPIDISA-N 2 2 351.451 -1.008 20 0 FAADLP Cc1cc(C)n(CC[N@@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+](C)CCO3)[C@@H](O)C2)n1 ZINC001083385315 679525978 /nfs/dbraw/zinc/52/59/78/679525978.db2.gz KOISHKYDXDGBFT-PMPSAXMXSA-N 2 2 351.451 -1.008 20 0 FAADLP Cc1cc(C)n(CC[N@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+](C)CCO3)[C@@H](O)C2)n1 ZINC001083385315 679525974 /nfs/dbraw/zinc/52/59/74/679525974.db2.gz KOISHKYDXDGBFT-PMPSAXMXSA-N 2 2 351.451 -1.008 20 0 FAADLP Cc1cc(C)n(CC[NH+]2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H](O)C2)n1 ZINC001083385315 679525969 /nfs/dbraw/zinc/52/59/69/679525969.db2.gz KOISHKYDXDGBFT-PMPSAXMXSA-N 2 2 351.451 -1.008 20 0 FAADLP Cc1cc(C)n(CC[NH+]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H](O)C2)n1 ZINC001083385315 679525967 /nfs/dbraw/zinc/52/59/67/679525967.db2.gz KOISHKYDXDGBFT-PMPSAXMXSA-N 2 2 351.451 -1.008 20 0 FAADLP CCn1cc(CC[NH+]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H](O)C2)cn1 ZINC001083385349 679526085 /nfs/dbraw/zinc/52/60/85/679526085.db2.gz LOWDSLXQIPHWSW-OWCLPIDISA-N 2 2 351.451 -1.063 20 0 FAADLP CCn1cc(CC[NH+]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)[C@@H](O)C2)cn1 ZINC001083385349 679526083 /nfs/dbraw/zinc/52/60/83/679526083.db2.gz LOWDSLXQIPHWSW-OWCLPIDISA-N 2 2 351.451 -1.063 20 0 FAADLP CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)CCO3)[C@@H](O)C2)cn1 ZINC001083385349 679526081 /nfs/dbraw/zinc/52/60/81/679526081.db2.gz LOWDSLXQIPHWSW-OWCLPIDISA-N 2 2 351.451 -1.063 20 0 FAADLP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)CCO3)[C@@H](O)C2)cn1 ZINC001083385349 679526079 /nfs/dbraw/zinc/52/60/79/679526079.db2.gz LOWDSLXQIPHWSW-OWCLPIDISA-N 2 2 351.451 -1.063 20 0 FAADLP CCn1cc(CC[NH+]2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H](O)C2)cn1 ZINC001083385350 679525947 /nfs/dbraw/zinc/52/59/47/679525947.db2.gz LOWDSLXQIPHWSW-PMPSAXMXSA-N 2 2 351.451 -1.063 20 0 FAADLP CCn1cc(CC[NH+]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H](O)C2)cn1 ZINC001083385350 679525943 /nfs/dbraw/zinc/52/59/43/679525943.db2.gz LOWDSLXQIPHWSW-PMPSAXMXSA-N 2 2 351.451 -1.063 20 0 FAADLP CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+](C)CCO3)[C@@H](O)C2)cn1 ZINC001083385350 679525938 /nfs/dbraw/zinc/52/59/38/679525938.db2.gz LOWDSLXQIPHWSW-PMPSAXMXSA-N 2 2 351.451 -1.063 20 0 FAADLP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+](C)CCO3)[C@@H](O)C2)cn1 ZINC001083385350 679525937 /nfs/dbraw/zinc/52/59/37/679525937.db2.gz LOWDSLXQIPHWSW-PMPSAXMXSA-N 2 2 351.451 -1.063 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCCN3CCCC3=O)C[C@@H]2O)C1 ZINC001083385637 679526766 /nfs/dbraw/zinc/52/67/66/679526766.db2.gz UHGAXLBKHPVHNL-ILXRZTDVSA-N 2 2 354.451 -1.509 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCCN3CCCC3=O)C[C@@H]2O)C1 ZINC001083385637 679526763 /nfs/dbraw/zinc/52/67/63/679526763.db2.gz UHGAXLBKHPVHNL-ILXRZTDVSA-N 2 2 354.451 -1.509 20 0 FAADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCN3CCCC3=O)C[C@@H]2O)C1 ZINC001083385637 679526761 /nfs/dbraw/zinc/52/67/61/679526761.db2.gz UHGAXLBKHPVHNL-ILXRZTDVSA-N 2 2 354.451 -1.509 20 0 FAADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCN3CCCC3=O)C[C@@H]2O)C1 ZINC001083385637 679526754 /nfs/dbraw/zinc/52/67/54/679526754.db2.gz UHGAXLBKHPVHNL-ILXRZTDVSA-N 2 2 354.451 -1.509 20 0 FAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCN3CCCC3=O)C[C@@H]2O)C1 ZINC001083385638 679526699 /nfs/dbraw/zinc/52/66/99/679526699.db2.gz UHGAXLBKHPVHNL-QLFBSQMISA-N 2 2 354.451 -1.509 20 0 FAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCCN3CCCC3=O)C[C@@H]2O)C1 ZINC001083385638 679526698 /nfs/dbraw/zinc/52/66/98/679526698.db2.gz UHGAXLBKHPVHNL-QLFBSQMISA-N 2 2 354.451 -1.509 20 0 FAADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCN3CCCC3=O)C[C@@H]2O)C1 ZINC001083385638 679526696 /nfs/dbraw/zinc/52/66/96/679526696.db2.gz UHGAXLBKHPVHNL-QLFBSQMISA-N 2 2 354.451 -1.509 20 0 FAADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCN3CCCC3=O)C[C@@H]2O)C1 ZINC001083385638 679526695 /nfs/dbraw/zinc/52/66/95/679526695.db2.gz UHGAXLBKHPVHNL-QLFBSQMISA-N 2 2 354.451 -1.509 20 0 FAADLP Cn1ccc(C[NH+]2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H](O)C2)cc1=O ZINC001083385758 679526099 /nfs/dbraw/zinc/52/60/99/679526099.db2.gz YCLYBJWHKVMHAJ-ILXRZTDVSA-N 2 2 350.419 -1.623 20 0 FAADLP Cn1ccc(C[NH+]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H](O)C2)cc1=O ZINC001083385758 679526098 /nfs/dbraw/zinc/52/60/98/679526098.db2.gz YCLYBJWHKVMHAJ-ILXRZTDVSA-N 2 2 350.419 -1.623 20 0 FAADLP Cn1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+](C)CCO3)[C@@H](O)C2)cc1=O ZINC001083385758 679526097 /nfs/dbraw/zinc/52/60/97/679526097.db2.gz YCLYBJWHKVMHAJ-ILXRZTDVSA-N 2 2 350.419 -1.623 20 0 FAADLP Cn1ccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+](C)CCO3)[C@@H](O)C2)cc1=O ZINC001083385758 679526095 /nfs/dbraw/zinc/52/60/95/679526095.db2.gz YCLYBJWHKVMHAJ-ILXRZTDVSA-N 2 2 350.419 -1.623 20 0 FAADLP Cn1ccc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H](O)C2)cc1=O ZINC001083385759 679526045 /nfs/dbraw/zinc/52/60/45/679526045.db2.gz YCLYBJWHKVMHAJ-QLFBSQMISA-N 2 2 350.419 -1.623 20 0 FAADLP Cn1ccc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)[C@@H](O)C2)cc1=O ZINC001083385759 679526043 /nfs/dbraw/zinc/52/60/43/679526043.db2.gz YCLYBJWHKVMHAJ-QLFBSQMISA-N 2 2 350.419 -1.623 20 0 FAADLP Cn1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)CCO3)[C@@H](O)C2)cc1=O ZINC001083385759 679526041 /nfs/dbraw/zinc/52/60/41/679526041.db2.gz YCLYBJWHKVMHAJ-QLFBSQMISA-N 2 2 350.419 -1.623 20 0 FAADLP Cn1ccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)CCO3)[C@@H](O)C2)cc1=O ZINC001083385759 679526040 /nfs/dbraw/zinc/52/60/40/679526040.db2.gz YCLYBJWHKVMHAJ-QLFBSQMISA-N 2 2 350.419 -1.623 20 0 FAADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001083470217 679538459 /nfs/dbraw/zinc/53/84/59/679538459.db2.gz FWVQDQOUVRWVGN-MCIONIFRSA-N 2 2 352.439 -1.517 20 0 FAADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001083470217 679538456 /nfs/dbraw/zinc/53/84/56/679538456.db2.gz FWVQDQOUVRWVGN-MCIONIFRSA-N 2 2 352.439 -1.517 20 0 FAADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001083470218 679538668 /nfs/dbraw/zinc/53/86/68/679538668.db2.gz FWVQDQOUVRWVGN-RDBSUJKOSA-N 2 2 352.439 -1.517 20 0 FAADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001083470218 679538665 /nfs/dbraw/zinc/53/86/65/679538665.db2.gz FWVQDQOUVRWVGN-RDBSUJKOSA-N 2 2 352.439 -1.517 20 0 FAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CCN3CCCS3(=O)=O)C[C@@H]2O)CC[NH+]1C ZINC001083472572 679539198 /nfs/dbraw/zinc/53/91/98/679539198.db2.gz FQIREWBOEGHDKY-TUVASFSCSA-N 2 2 374.507 -1.477 20 0 FAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CCN3CCCS3(=O)=O)C[C@@H]2O)CC[NH+]1C ZINC001083472572 679539195 /nfs/dbraw/zinc/53/91/95/679539195.db2.gz FQIREWBOEGHDKY-TUVASFSCSA-N 2 2 374.507 -1.477 20 0 FAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCN3CCCS3(=O)=O)C[C@@H]2O)CC[N@H+]1C ZINC001083472572 679539193 /nfs/dbraw/zinc/53/91/93/679539193.db2.gz FQIREWBOEGHDKY-TUVASFSCSA-N 2 2 374.507 -1.477 20 0 FAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCN3CCCS3(=O)=O)C[C@@H]2O)CC[N@@H+]1C ZINC001083472572 679539190 /nfs/dbraw/zinc/53/91/90/679539190.db2.gz FQIREWBOEGHDKY-TUVASFSCSA-N 2 2 374.507 -1.477 20 0 FAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@@H]2O)CC[NH+]1C ZINC001083472923 679539649 /nfs/dbraw/zinc/53/96/49/679539649.db2.gz XIJWPYRMDLCUQW-TUVASFSCSA-N 2 2 354.451 -1.653 20 0 FAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@@H]2O)CC[NH+]1C ZINC001083472923 679539648 /nfs/dbraw/zinc/53/96/48/679539648.db2.gz XIJWPYRMDLCUQW-TUVASFSCSA-N 2 2 354.451 -1.653 20 0 FAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCOCC3)C[C@@H]2O)CC[N@H+]1C ZINC001083472923 679539647 /nfs/dbraw/zinc/53/96/47/679539647.db2.gz XIJWPYRMDLCUQW-TUVASFSCSA-N 2 2 354.451 -1.653 20 0 FAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCOCC3)C[C@@H]2O)CC[N@@H+]1C ZINC001083472923 679539645 /nfs/dbraw/zinc/53/96/45/679539645.db2.gz XIJWPYRMDLCUQW-TUVASFSCSA-N 2 2 354.451 -1.653 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@@H]2O)O1 ZINC001083565119 679577270 /nfs/dbraw/zinc/57/72/70/679577270.db2.gz BXDWGGRPJUMZAL-APIJFGDWSA-N 2 2 354.451 -1.511 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@@H]2O)O1 ZINC001083565119 679577268 /nfs/dbraw/zinc/57/72/68/679577268.db2.gz BXDWGGRPJUMZAL-APIJFGDWSA-N 2 2 354.451 -1.511 20 0 FAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCN3CCCC3=O)C[C@@H]2O)O1 ZINC001083565119 679577264 /nfs/dbraw/zinc/57/72/64/679577264.db2.gz BXDWGGRPJUMZAL-APIJFGDWSA-N 2 2 354.451 -1.511 20 0 FAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCN3CCCC3=O)C[C@@H]2O)O1 ZINC001083565119 679577263 /nfs/dbraw/zinc/57/72/63/679577263.db2.gz BXDWGGRPJUMZAL-APIJFGDWSA-N 2 2 354.451 -1.511 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CCc3cnn(C)c3)C[C@@H]2O)O1 ZINC001083565396 679578282 /nfs/dbraw/zinc/57/82/82/679578282.db2.gz PYTZBGQSHFVIMR-DMRZNYOFSA-N 2 2 351.451 -1.157 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CCc3cnn(C)c3)C[C@@H]2O)O1 ZINC001083565396 679578281 /nfs/dbraw/zinc/57/82/81/679578281.db2.gz PYTZBGQSHFVIMR-DMRZNYOFSA-N 2 2 351.451 -1.157 20 0 FAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCc3cnn(C)c3)C[C@@H]2O)O1 ZINC001083565396 679578279 /nfs/dbraw/zinc/57/82/79/679578279.db2.gz PYTZBGQSHFVIMR-DMRZNYOFSA-N 2 2 351.451 -1.157 20 0 FAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCc3cnn(C)c3)C[C@@H]2O)O1 ZINC001083565396 679578278 /nfs/dbraw/zinc/57/82/78/679578278.db2.gz PYTZBGQSHFVIMR-DMRZNYOFSA-N 2 2 351.451 -1.157 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccnn3C)C[C@@H]2O)O1 ZINC001083565493 679578442 /nfs/dbraw/zinc/57/84/42/679578442.db2.gz VZANNHCUMXPHPP-DMRZNYOFSA-N 2 2 351.451 -1.157 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CCc3ccnn3C)C[C@@H]2O)O1 ZINC001083565493 679578437 /nfs/dbraw/zinc/57/84/37/679578437.db2.gz VZANNHCUMXPHPP-DMRZNYOFSA-N 2 2 351.451 -1.157 20 0 FAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccnn3C)C[C@@H]2O)O1 ZINC001083565493 679578434 /nfs/dbraw/zinc/57/84/34/679578434.db2.gz VZANNHCUMXPHPP-DMRZNYOFSA-N 2 2 351.451 -1.157 20 0 FAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccnn3C)C[C@@H]2O)O1 ZINC001083565493 679578428 /nfs/dbraw/zinc/57/84/28/679578428.db2.gz VZANNHCUMXPHPP-DMRZNYOFSA-N 2 2 351.451 -1.157 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@@H]2O)O1 ZINC001083566516 679580038 /nfs/dbraw/zinc/58/00/38/679580038.db2.gz OMWLTDJNLVONES-YIYPIFLZSA-N 2 2 355.439 -2.108 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@@H]2O)O1 ZINC001083566516 679580036 /nfs/dbraw/zinc/58/00/36/679580036.db2.gz OMWLTDJNLVONES-YIYPIFLZSA-N 2 2 355.439 -2.108 20 0 FAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)C[C@@H]2O)O1 ZINC001083566516 679580033 /nfs/dbraw/zinc/58/00/33/679580033.db2.gz OMWLTDJNLVONES-YIYPIFLZSA-N 2 2 355.439 -2.108 20 0 FAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)C[C@@H]2O)O1 ZINC001083566516 679580029 /nfs/dbraw/zinc/58/00/29/679580029.db2.gz OMWLTDJNLVONES-YIYPIFLZSA-N 2 2 355.439 -2.108 20 0 FAADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001083571874 679589968 /nfs/dbraw/zinc/58/99/68/679589968.db2.gz QINBZADEIGQSNP-AGIUHOORSA-N 2 2 353.423 -1.816 20 0 FAADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001083571874 679589965 /nfs/dbraw/zinc/58/99/65/679589965.db2.gz QINBZADEIGQSNP-AGIUHOORSA-N 2 2 353.423 -1.816 20 0 FAADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001083571874 679589963 /nfs/dbraw/zinc/58/99/63/679589963.db2.gz QINBZADEIGQSNP-AGIUHOORSA-N 2 2 353.423 -1.816 20 0 FAADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001083571874 679589960 /nfs/dbraw/zinc/58/99/60/679589960.db2.gz QINBZADEIGQSNP-AGIUHOORSA-N 2 2 353.423 -1.816 20 0 FAADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001083571875 679589907 /nfs/dbraw/zinc/58/99/07/679589907.db2.gz QINBZADEIGQSNP-UPJWGTAASA-N 2 2 353.423 -1.816 20 0 FAADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001083571875 679589905 /nfs/dbraw/zinc/58/99/05/679589905.db2.gz QINBZADEIGQSNP-UPJWGTAASA-N 2 2 353.423 -1.816 20 0 FAADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001083571875 679589903 /nfs/dbraw/zinc/58/99/03/679589903.db2.gz QINBZADEIGQSNP-UPJWGTAASA-N 2 2 353.423 -1.816 20 0 FAADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001083571875 679589900 /nfs/dbraw/zinc/58/99/00/679589900.db2.gz QINBZADEIGQSNP-UPJWGTAASA-N 2 2 353.423 -1.816 20 0 FAADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001083572317 679590005 /nfs/dbraw/zinc/59/00/05/679590005.db2.gz LWQONWAXYGQVQI-MCIONIFRSA-N 2 2 352.435 -1.219 20 0 FAADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001083572317 679590002 /nfs/dbraw/zinc/59/00/02/679590002.db2.gz LWQONWAXYGQVQI-MCIONIFRSA-N 2 2 352.435 -1.219 20 0 FAADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001083572317 679590001 /nfs/dbraw/zinc/59/00/01/679590001.db2.gz LWQONWAXYGQVQI-MCIONIFRSA-N 2 2 352.435 -1.219 20 0 FAADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001083572317 679589998 /nfs/dbraw/zinc/58/99/98/679589998.db2.gz LWQONWAXYGQVQI-MCIONIFRSA-N 2 2 352.435 -1.219 20 0 FAADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001083572318 679589880 /nfs/dbraw/zinc/58/98/80/679589880.db2.gz LWQONWAXYGQVQI-RDBSUJKOSA-N 2 2 352.435 -1.219 20 0 FAADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001083572318 679589876 /nfs/dbraw/zinc/58/98/76/679589876.db2.gz LWQONWAXYGQVQI-RDBSUJKOSA-N 2 2 352.435 -1.219 20 0 FAADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001083572318 679589873 /nfs/dbraw/zinc/58/98/73/679589873.db2.gz LWQONWAXYGQVQI-RDBSUJKOSA-N 2 2 352.435 -1.219 20 0 FAADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001083572318 679589870 /nfs/dbraw/zinc/58/98/70/679589870.db2.gz LWQONWAXYGQVQI-RDBSUJKOSA-N 2 2 352.435 -1.219 20 0 FAADLP O=C(N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001083602295 679599198 /nfs/dbraw/zinc/59/91/98/679599198.db2.gz NOCOYISHJWKINX-KGLIPLIRSA-N 2 2 351.451 -1.199 20 0 FAADLP O=C(N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001083602295 679599195 /nfs/dbraw/zinc/59/91/95/679599195.db2.gz NOCOYISHJWKINX-KGLIPLIRSA-N 2 2 351.451 -1.199 20 0 FAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001083644927 679605005 /nfs/dbraw/zinc/60/50/05/679605005.db2.gz CLFPGLPATPLTBR-KGLIPLIRSA-N 2 2 371.463 -1.612 20 0 FAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001083644927 679605002 /nfs/dbraw/zinc/60/50/02/679605002.db2.gz CLFPGLPATPLTBR-KGLIPLIRSA-N 2 2 371.463 -1.612 20 0 FAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001083644941 679605097 /nfs/dbraw/zinc/60/50/97/679605097.db2.gz CYLHLXRLDDSLTB-NEPJUHHUSA-N 2 2 350.379 -2.095 20 0 FAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001083644941 679605091 /nfs/dbraw/zinc/60/50/91/679605091.db2.gz CYLHLXRLDDSLTB-NEPJUHHUSA-N 2 2 350.379 -2.095 20 0 FAADLP O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001083661821 679606165 /nfs/dbraw/zinc/60/61/65/679606165.db2.gz OAZONFSWNKQNEN-WCVJEAGWSA-N 2 2 357.451 -1.590 20 0 FAADLP O=C(N[C@@H]1C[N@H+](CCCO)C[C@@H]1O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001083661821 679606161 /nfs/dbraw/zinc/60/61/61/679606161.db2.gz OAZONFSWNKQNEN-WCVJEAGWSA-N 2 2 357.451 -1.590 20 0 FAADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](C[C@H](O)CN2CCCC2=O)C[C@@H]1O ZINC001083701459 679618484 /nfs/dbraw/zinc/61/84/84/679618484.db2.gz OJNWZMUFUMITLH-YJNKXOJESA-N 2 2 354.451 -1.775 20 0 FAADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)C[C@@H]1O ZINC001083701459 679618481 /nfs/dbraw/zinc/61/84/81/679618481.db2.gz OJNWZMUFUMITLH-YJNKXOJESA-N 2 2 354.451 -1.775 20 0 FAADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](C[C@H](O)CN2CCCC2=O)C[C@@H]1O ZINC001083701459 679618479 /nfs/dbraw/zinc/61/84/79/679618479.db2.gz OJNWZMUFUMITLH-YJNKXOJESA-N 2 2 354.451 -1.775 20 0 FAADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](C[C@H](O)CN2CCCC2=O)C[C@@H]1O ZINC001083701459 679618476 /nfs/dbraw/zinc/61/84/76/679618476.db2.gz OJNWZMUFUMITLH-YJNKXOJESA-N 2 2 354.451 -1.775 20 0 FAADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)C1 ZINC001083723250 679621877 /nfs/dbraw/zinc/62/18/77/679621877.db2.gz AQUBLAGSNJZCRC-ILXRZTDVSA-N 2 2 352.439 -1.451 20 0 FAADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)C1 ZINC001083723250 679621873 /nfs/dbraw/zinc/62/18/73/679621873.db2.gz AQUBLAGSNJZCRC-ILXRZTDVSA-N 2 2 352.439 -1.451 20 0 FAADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@@H]2O)C1 ZINC001083723250 679621870 /nfs/dbraw/zinc/62/18/70/679621870.db2.gz AQUBLAGSNJZCRC-ILXRZTDVSA-N 2 2 352.439 -1.451 20 0 FAADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@@H]2O)C1 ZINC001083723250 679621868 /nfs/dbraw/zinc/62/18/68/679621868.db2.gz AQUBLAGSNJZCRC-ILXRZTDVSA-N 2 2 352.439 -1.451 20 0 FAADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)C1 ZINC001083723251 679621806 /nfs/dbraw/zinc/62/18/06/679621806.db2.gz AQUBLAGSNJZCRC-QLFBSQMISA-N 2 2 352.439 -1.451 20 0 FAADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)C1 ZINC001083723251 679621804 /nfs/dbraw/zinc/62/18/04/679621804.db2.gz AQUBLAGSNJZCRC-QLFBSQMISA-N 2 2 352.439 -1.451 20 0 FAADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@@H]2O)C1 ZINC001083723251 679621801 /nfs/dbraw/zinc/62/18/01/679621801.db2.gz AQUBLAGSNJZCRC-QLFBSQMISA-N 2 2 352.439 -1.451 20 0 FAADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@@H]2O)C1 ZINC001083723251 679621800 /nfs/dbraw/zinc/62/18/00/679621800.db2.gz AQUBLAGSNJZCRC-QLFBSQMISA-N 2 2 352.439 -1.451 20 0 FAADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@@H]2O)CC1 ZINC001083749540 679625939 /nfs/dbraw/zinc/62/59/39/679625939.db2.gz FEDWTZOLLOKNLP-CABCVRRESA-N 2 2 354.451 -1.652 20 0 FAADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@@H]2O)CC1 ZINC001083749540 679625935 /nfs/dbraw/zinc/62/59/35/679625935.db2.gz FEDWTZOLLOKNLP-CABCVRRESA-N 2 2 354.451 -1.652 20 0 FAADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@@H]2O)CC1 ZINC001083749545 679625795 /nfs/dbraw/zinc/62/57/95/679625795.db2.gz FGXCCSWVYNRZNT-CFVMTHIKSA-N 2 2 359.492 -1.076 20 0 FAADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@@H]2O)CC1 ZINC001083749545 679625792 /nfs/dbraw/zinc/62/57/92/679625792.db2.gz FGXCCSWVYNRZNT-CFVMTHIKSA-N 2 2 359.492 -1.076 20 0 FAADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCS(=O)(=O)C3)C[C@@H]2O)CC1 ZINC001083749546 679625926 /nfs/dbraw/zinc/62/59/26/679625926.db2.gz FGXCCSWVYNRZNT-YUELXQCFSA-N 2 2 359.492 -1.076 20 0 FAADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCS(=O)(=O)C3)C[C@@H]2O)CC1 ZINC001083749546 679625924 /nfs/dbraw/zinc/62/59/24/679625924.db2.gz FGXCCSWVYNRZNT-YUELXQCFSA-N 2 2 359.492 -1.076 20 0 FAADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001083779360 679894993 /nfs/dbraw/zinc/89/49/93/679894993.db2.gz YCAAAAUMDZDHJN-UPJWGTAASA-N 2 2 353.423 -1.816 20 0 FAADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001083779360 679894991 /nfs/dbraw/zinc/89/49/91/679894991.db2.gz YCAAAAUMDZDHJN-UPJWGTAASA-N 2 2 353.423 -1.816 20 0 FAADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001083779360 679894989 /nfs/dbraw/zinc/89/49/89/679894989.db2.gz YCAAAAUMDZDHJN-UPJWGTAASA-N 2 2 353.423 -1.816 20 0 FAADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001083779360 679894986 /nfs/dbraw/zinc/89/49/86/679894986.db2.gz YCAAAAUMDZDHJN-UPJWGTAASA-N 2 2 353.423 -1.816 20 0 FAADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001083779361 679895041 /nfs/dbraw/zinc/89/50/41/679895041.db2.gz YCAAAAUMDZDHJN-XQQFMLRXSA-N 2 2 353.423 -1.816 20 0 FAADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001083779361 679895038 /nfs/dbraw/zinc/89/50/38/679895038.db2.gz YCAAAAUMDZDHJN-XQQFMLRXSA-N 2 2 353.423 -1.816 20 0 FAADLP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001083779361 679895034 /nfs/dbraw/zinc/89/50/34/679895034.db2.gz YCAAAAUMDZDHJN-XQQFMLRXSA-N 2 2 353.423 -1.816 20 0 FAADLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001083779361 679895032 /nfs/dbraw/zinc/89/50/32/679895032.db2.gz YCAAAAUMDZDHJN-XQQFMLRXSA-N 2 2 353.423 -1.816 20 0 FAADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001083779463 679894970 /nfs/dbraw/zinc/89/49/70/679894970.db2.gz CPGWMZAKHAMPNC-MCIONIFRSA-N 2 2 352.435 -1.219 20 0 FAADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001083779463 679894967 /nfs/dbraw/zinc/89/49/67/679894967.db2.gz CPGWMZAKHAMPNC-MCIONIFRSA-N 2 2 352.435 -1.219 20 0 FAADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001083779463 679894964 /nfs/dbraw/zinc/89/49/64/679894964.db2.gz CPGWMZAKHAMPNC-MCIONIFRSA-N 2 2 352.435 -1.219 20 0 FAADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001083779463 679894962 /nfs/dbraw/zinc/89/49/62/679894962.db2.gz CPGWMZAKHAMPNC-MCIONIFRSA-N 2 2 352.435 -1.219 20 0 FAADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001083779464 679895214 /nfs/dbraw/zinc/89/52/14/679895214.db2.gz CPGWMZAKHAMPNC-MJBXVCDLSA-N 2 2 352.435 -1.219 20 0 FAADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001083779464 679895210 /nfs/dbraw/zinc/89/52/10/679895210.db2.gz CPGWMZAKHAMPNC-MJBXVCDLSA-N 2 2 352.435 -1.219 20 0 FAADLP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001083779464 679895208 /nfs/dbraw/zinc/89/52/08/679895208.db2.gz CPGWMZAKHAMPNC-MJBXVCDLSA-N 2 2 352.435 -1.219 20 0 FAADLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001083779464 679895204 /nfs/dbraw/zinc/89/52/04/679895204.db2.gz CPGWMZAKHAMPNC-MJBXVCDLSA-N 2 2 352.435 -1.219 20 0 FAADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@@H]2O)C1 ZINC001083781350 679895588 /nfs/dbraw/zinc/89/55/88/679895588.db2.gz DFJCKIPBMHAYPL-UPJWGTAASA-N 2 2 353.423 -1.959 20 0 FAADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@@H]2O)C1 ZINC001083781350 679895586 /nfs/dbraw/zinc/89/55/86/679895586.db2.gz DFJCKIPBMHAYPL-UPJWGTAASA-N 2 2 353.423 -1.959 20 0 FAADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@@H]2O)C1 ZINC001083781350 679895584 /nfs/dbraw/zinc/89/55/84/679895584.db2.gz DFJCKIPBMHAYPL-UPJWGTAASA-N 2 2 353.423 -1.959 20 0 FAADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@@H]2O)C1 ZINC001083781350 679895582 /nfs/dbraw/zinc/89/55/82/679895582.db2.gz DFJCKIPBMHAYPL-UPJWGTAASA-N 2 2 353.423 -1.959 20 0 FAADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@@H]2O)C1 ZINC001083781351 679895538 /nfs/dbraw/zinc/89/55/38/679895538.db2.gz DFJCKIPBMHAYPL-XQQFMLRXSA-N 2 2 353.423 -1.959 20 0 FAADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@@H]2O)C1 ZINC001083781351 679895536 /nfs/dbraw/zinc/89/55/36/679895536.db2.gz DFJCKIPBMHAYPL-XQQFMLRXSA-N 2 2 353.423 -1.959 20 0 FAADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@@H]2O)C1 ZINC001083781351 679895534 /nfs/dbraw/zinc/89/55/34/679895534.db2.gz DFJCKIPBMHAYPL-XQQFMLRXSA-N 2 2 353.423 -1.959 20 0 FAADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@@H]2O)C1 ZINC001083781351 679895531 /nfs/dbraw/zinc/89/55/31/679895531.db2.gz DFJCKIPBMHAYPL-XQQFMLRXSA-N 2 2 353.423 -1.959 20 0 FAADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@@H]2O)C1 ZINC001083781528 679895621 /nfs/dbraw/zinc/89/56/21/679895621.db2.gz LDERALWJPJDBMK-MCIONIFRSA-N 2 2 352.435 -1.362 20 0 FAADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@@H]2O)C1 ZINC001083781528 679895619 /nfs/dbraw/zinc/89/56/19/679895619.db2.gz LDERALWJPJDBMK-MCIONIFRSA-N 2 2 352.435 -1.362 20 0 FAADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@@H]2O)C1 ZINC001083781528 679895618 /nfs/dbraw/zinc/89/56/18/679895618.db2.gz LDERALWJPJDBMK-MCIONIFRSA-N 2 2 352.435 -1.362 20 0 FAADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@@H]2O)C1 ZINC001083781528 679895616 /nfs/dbraw/zinc/89/56/16/679895616.db2.gz LDERALWJPJDBMK-MCIONIFRSA-N 2 2 352.435 -1.362 20 0 FAADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@@H]2O)C1 ZINC001083781529 679895395 /nfs/dbraw/zinc/89/53/95/679895395.db2.gz LDERALWJPJDBMK-MJBXVCDLSA-N 2 2 352.435 -1.362 20 0 FAADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@@H]2O)C1 ZINC001083781529 679895393 /nfs/dbraw/zinc/89/53/93/679895393.db2.gz LDERALWJPJDBMK-MJBXVCDLSA-N 2 2 352.435 -1.362 20 0 FAADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@@H]2O)C1 ZINC001083781529 679895389 /nfs/dbraw/zinc/89/53/89/679895389.db2.gz LDERALWJPJDBMK-MJBXVCDLSA-N 2 2 352.435 -1.362 20 0 FAADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@@H]2O)C1 ZINC001083781529 679895387 /nfs/dbraw/zinc/89/53/87/679895387.db2.gz LDERALWJPJDBMK-MJBXVCDLSA-N 2 2 352.435 -1.362 20 0 FAADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@@H]2O)C1 ZINC001083782979 679895553 /nfs/dbraw/zinc/89/55/53/679895553.db2.gz VHIGDADQMARSMY-KGLIPLIRSA-N 2 2 353.467 -1.095 20 0 FAADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@@H]2O)C1 ZINC001083782979 679895551 /nfs/dbraw/zinc/89/55/51/679895551.db2.gz VHIGDADQMARSMY-KGLIPLIRSA-N 2 2 353.467 -1.095 20 0 FAADLP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)C[C@@H]2O)C1 ZINC001083782979 679895549 /nfs/dbraw/zinc/89/55/49/679895549.db2.gz VHIGDADQMARSMY-KGLIPLIRSA-N 2 2 353.467 -1.095 20 0 FAADLP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)C[C@@H]2O)C1 ZINC001083782979 679895547 /nfs/dbraw/zinc/89/55/47/679895547.db2.gz VHIGDADQMARSMY-KGLIPLIRSA-N 2 2 353.467 -1.095 20 0 FAADLP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]2O)CC1 ZINC001083833860 679953210 /nfs/dbraw/zinc/95/32/10/679953210.db2.gz ZCINELWFYHHGFZ-MCIONIFRSA-N 2 2 352.435 -1.315 20 0 FAADLP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]2O)CC1 ZINC001083833860 679953203 /nfs/dbraw/zinc/95/32/03/679953203.db2.gz ZCINELWFYHHGFZ-MCIONIFRSA-N 2 2 352.435 -1.315 20 0 FAADLP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@@H]2O)CC1 ZINC001083833861 679953406 /nfs/dbraw/zinc/95/34/06/679953406.db2.gz ZCINELWFYHHGFZ-RDBSUJKOSA-N 2 2 352.435 -1.315 20 0 FAADLP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@@H]2O)CC1 ZINC001083833861 679953404 /nfs/dbraw/zinc/95/34/04/679953404.db2.gz ZCINELWFYHHGFZ-RDBSUJKOSA-N 2 2 352.435 -1.315 20 0 FAADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001083850884 679955851 /nfs/dbraw/zinc/95/58/51/679955851.db2.gz AGAZGJRWQZZHGT-MCIONIFRSA-N 2 2 352.439 -1.517 20 0 FAADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001083850884 679955850 /nfs/dbraw/zinc/95/58/50/679955850.db2.gz AGAZGJRWQZZHGT-MCIONIFRSA-N 2 2 352.439 -1.517 20 0 FAADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001083850885 679955985 /nfs/dbraw/zinc/95/59/85/679955985.db2.gz AGAZGJRWQZZHGT-RDBSUJKOSA-N 2 2 352.439 -1.517 20 0 FAADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001083850885 679955980 /nfs/dbraw/zinc/95/59/80/679955980.db2.gz AGAZGJRWQZZHGT-RDBSUJKOSA-N 2 2 352.439 -1.517 20 0 FAADLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@@H]2O)CC1 ZINC001083887769 679968517 /nfs/dbraw/zinc/96/85/17/679968517.db2.gz KGVRGJGVBGDLTG-CABCVRRESA-N 2 2 353.467 -1.095 20 0 FAADLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@@H]2O)CC1 ZINC001083887769 679968514 /nfs/dbraw/zinc/96/85/14/679968514.db2.gz KGVRGJGVBGDLTG-CABCVRRESA-N 2 2 353.467 -1.095 20 0 FAADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@@H]2O)C1 ZINC001083953170 680063940 /nfs/dbraw/zinc/06/39/40/680063940.db2.gz KBVXPEVIQICBOB-KFWWJZLASA-N 2 2 354.451 -1.652 20 0 FAADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@@H]2O)C1 ZINC001083953170 680063934 /nfs/dbraw/zinc/06/39/34/680063934.db2.gz KBVXPEVIQICBOB-KFWWJZLASA-N 2 2 354.451 -1.652 20 0 FAADLP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CC(=O)N3CCOCC3)C[C@@H]2O)C1 ZINC001083953170 680063926 /nfs/dbraw/zinc/06/39/26/680063926.db2.gz KBVXPEVIQICBOB-KFWWJZLASA-N 2 2 354.451 -1.652 20 0 FAADLP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CC(=O)N3CCOCC3)C[C@@H]2O)C1 ZINC001083953170 680063919 /nfs/dbraw/zinc/06/39/19/680063919.db2.gz KBVXPEVIQICBOB-KFWWJZLASA-N 2 2 354.451 -1.652 20 0 FAADLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@@H]2O)C1 ZINC001083953171 680063502 /nfs/dbraw/zinc/06/35/02/680063502.db2.gz KBVXPEVIQICBOB-ZNMIVQPWSA-N 2 2 354.451 -1.652 20 0 FAADLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@@H]2O)C1 ZINC001083953171 680063498 /nfs/dbraw/zinc/06/34/98/680063498.db2.gz KBVXPEVIQICBOB-ZNMIVQPWSA-N 2 2 354.451 -1.652 20 0 FAADLP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CC(=O)N3CCOCC3)C[C@@H]2O)C1 ZINC001083953171 680063489 /nfs/dbraw/zinc/06/34/89/680063489.db2.gz KBVXPEVIQICBOB-ZNMIVQPWSA-N 2 2 354.451 -1.652 20 0 FAADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CC(=O)N3CCOCC3)C[C@@H]2O)C1 ZINC001083953171 680063480 /nfs/dbraw/zinc/06/34/80/680063480.db2.gz KBVXPEVIQICBOB-ZNMIVQPWSA-N 2 2 354.451 -1.652 20 0 FAADLP O=C(N[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083959089 680064302 /nfs/dbraw/zinc/06/43/02/680064302.db2.gz FNTBLLRXMZMXSD-MCIONIFRSA-N 2 2 357.476 -1.322 20 0 FAADLP O=C(N[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083959089 680064297 /nfs/dbraw/zinc/06/42/97/680064297.db2.gz FNTBLLRXMZMXSD-MCIONIFRSA-N 2 2 357.476 -1.322 20 0 FAADLP O=C(N[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083959090 680064612 /nfs/dbraw/zinc/06/46/12/680064612.db2.gz FNTBLLRXMZMXSD-MJBXVCDLSA-N 2 2 357.476 -1.322 20 0 FAADLP O=C(N[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083959090 680064608 /nfs/dbraw/zinc/06/46/08/680064608.db2.gz FNTBLLRXMZMXSD-MJBXVCDLSA-N 2 2 357.476 -1.322 20 0 FAADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC3CCS(=O)(=O)CC3)C[C@@H]2O)C1 ZINC001084053750 790603960 /nfs/dbraw/zinc/60/39/60/790603960.db2.gz JQSUGRJCDHGBHZ-KFWWJZLASA-N 2 2 359.492 -1.076 20 0 FAADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CC3CCS(=O)(=O)CC3)C[C@@H]2O)C1 ZINC001084053750 790603954 /nfs/dbraw/zinc/60/39/54/790603954.db2.gz JQSUGRJCDHGBHZ-KFWWJZLASA-N 2 2 359.492 -1.076 20 0 FAADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCS(=O)(=O)CC3)C[C@@H]2O)C1 ZINC001084053750 790603951 /nfs/dbraw/zinc/60/39/51/790603951.db2.gz JQSUGRJCDHGBHZ-KFWWJZLASA-N 2 2 359.492 -1.076 20 0 FAADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCS(=O)(=O)CC3)C[C@@H]2O)C1 ZINC001084053750 790603943 /nfs/dbraw/zinc/60/39/43/790603943.db2.gz JQSUGRJCDHGBHZ-KFWWJZLASA-N 2 2 359.492 -1.076 20 0 FAADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CCS(=O)(=O)CC3)C[C@@H]2O)C1 ZINC001084053751 790605397 /nfs/dbraw/zinc/60/53/97/790605397.db2.gz JQSUGRJCDHGBHZ-ZNMIVQPWSA-N 2 2 359.492 -1.076 20 0 FAADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CC3CCS(=O)(=O)CC3)C[C@@H]2O)C1 ZINC001084053751 790605393 /nfs/dbraw/zinc/60/53/93/790605393.db2.gz JQSUGRJCDHGBHZ-ZNMIVQPWSA-N 2 2 359.492 -1.076 20 0 FAADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC3CCS(=O)(=O)CC3)C[C@@H]2O)C1 ZINC001084053751 790605387 /nfs/dbraw/zinc/60/53/87/790605387.db2.gz JQSUGRJCDHGBHZ-ZNMIVQPWSA-N 2 2 359.492 -1.076 20 0 FAADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC3CCS(=O)(=O)CC3)C[C@@H]2O)C1 ZINC001084053751 790605382 /nfs/dbraw/zinc/60/53/82/790605382.db2.gz JQSUGRJCDHGBHZ-ZNMIVQPWSA-N 2 2 359.492 -1.076 20 0 FAADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCN3CCCS3(=O)=O)C[C@@H]2O)C1 ZINC001084053941 790605199 /nfs/dbraw/zinc/60/51/99/790605199.db2.gz PYGHNFJVKYQRSQ-MCIONIFRSA-N 2 2 360.480 -1.865 20 0 FAADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCN3CCCS3(=O)=O)C[C@@H]2O)C1 ZINC001084053941 790605194 /nfs/dbraw/zinc/60/51/94/790605194.db2.gz PYGHNFJVKYQRSQ-MCIONIFRSA-N 2 2 360.480 -1.865 20 0 FAADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCN3CCCS3(=O)=O)C[C@@H]2O)C1 ZINC001084053941 790605186 /nfs/dbraw/zinc/60/51/86/790605186.db2.gz PYGHNFJVKYQRSQ-MCIONIFRSA-N 2 2 360.480 -1.865 20 0 FAADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCN3CCCS3(=O)=O)C[C@@H]2O)C1 ZINC001084053941 790605181 /nfs/dbraw/zinc/60/51/81/790605181.db2.gz PYGHNFJVKYQRSQ-MCIONIFRSA-N 2 2 360.480 -1.865 20 0 FAADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCN3CCCS3(=O)=O)C[C@@H]2O)C1 ZINC001084053942 790605161 /nfs/dbraw/zinc/60/51/61/790605161.db2.gz PYGHNFJVKYQRSQ-MJBXVCDLSA-N 2 2 360.480 -1.865 20 0 FAADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCN3CCCS3(=O)=O)C[C@@H]2O)C1 ZINC001084053942 790605156 /nfs/dbraw/zinc/60/51/56/790605156.db2.gz PYGHNFJVKYQRSQ-MJBXVCDLSA-N 2 2 360.480 -1.865 20 0 FAADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCN3CCCS3(=O)=O)C[C@@H]2O)C1 ZINC001084053942 790605147 /nfs/dbraw/zinc/60/51/47/790605147.db2.gz PYGHNFJVKYQRSQ-MJBXVCDLSA-N 2 2 360.480 -1.865 20 0 FAADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCN3CCCS3(=O)=O)C[C@@H]2O)C1 ZINC001084053942 790605143 /nfs/dbraw/zinc/60/51/43/790605143.db2.gz PYGHNFJVKYQRSQ-MJBXVCDLSA-N 2 2 360.480 -1.865 20 0 FAADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](C[C@H](O)CN2CCCC2=O)C[C@@H]1O ZINC001084057656 790606585 /nfs/dbraw/zinc/60/65/85/790606585.db2.gz VLKHHHIIMFADKE-ZNMIVQPWSA-N 2 2 354.451 -1.773 20 0 FAADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)C[C@@H]1O ZINC001084057656 790606582 /nfs/dbraw/zinc/60/65/82/790606582.db2.gz VLKHHHIIMFADKE-ZNMIVQPWSA-N 2 2 354.451 -1.773 20 0 FAADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@@H]1O ZINC001084057945 790606728 /nfs/dbraw/zinc/60/67/28/790606728.db2.gz BNZBVXZASWICFU-OLZOCXBDSA-N 2 2 353.423 -1.815 20 0 FAADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)C[C@@H]1O ZINC001084057945 790606722 /nfs/dbraw/zinc/60/67/22/790606722.db2.gz BNZBVXZASWICFU-OLZOCXBDSA-N 2 2 353.423 -1.815 20 0 FAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001084059360 790606681 /nfs/dbraw/zinc/60/66/81/790606681.db2.gz FEKSKZZEYBFNLE-KGLIPLIRSA-N 2 2 371.463 -1.612 20 0 FAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001084059360 790606676 /nfs/dbraw/zinc/60/66/76/790606676.db2.gz FEKSKZZEYBFNLE-KGLIPLIRSA-N 2 2 371.463 -1.612 20 0 FAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001084060131 790606798 /nfs/dbraw/zinc/60/67/98/790606798.db2.gz JDHKNYJMTJTPJV-NEPJUHHUSA-N 2 2 350.379 -2.095 20 0 FAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001084060131 790606791 /nfs/dbraw/zinc/60/67/91/790606791.db2.gz JDHKNYJMTJTPJV-NEPJUHHUSA-N 2 2 350.379 -2.095 20 0 FAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccnn3C)C[C@@H]2O)C1 ZINC001084078259 790599471 /nfs/dbraw/zinc/59/94/71/790599471.db2.gz SKFUHKVGIACVPE-OWCLPIDISA-N 2 2 351.451 -1.155 20 0 FAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCc3ccnn3C)C[C@@H]2O)C1 ZINC001084078259 790599461 /nfs/dbraw/zinc/59/94/61/790599461.db2.gz SKFUHKVGIACVPE-OWCLPIDISA-N 2 2 351.451 -1.155 20 0 FAADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccnn3C)C[C@@H]2O)C1 ZINC001084078259 790599448 /nfs/dbraw/zinc/59/94/48/790599448.db2.gz SKFUHKVGIACVPE-OWCLPIDISA-N 2 2 351.451 -1.155 20 0 FAADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccnn3C)C[C@@H]2O)C1 ZINC001084078259 790599436 /nfs/dbraw/zinc/59/94/36/790599436.db2.gz SKFUHKVGIACVPE-OWCLPIDISA-N 2 2 351.451 -1.155 20 0 FAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccnn3C)C[C@@H]2O)C1 ZINC001084078260 790598688 /nfs/dbraw/zinc/59/86/88/790598688.db2.gz SKFUHKVGIACVPE-PMPSAXMXSA-N 2 2 351.451 -1.155 20 0 FAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCc3ccnn3C)C[C@@H]2O)C1 ZINC001084078260 790598677 /nfs/dbraw/zinc/59/86/77/790598677.db2.gz SKFUHKVGIACVPE-PMPSAXMXSA-N 2 2 351.451 -1.155 20 0 FAADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccnn3C)C[C@@H]2O)C1 ZINC001084078260 790598667 /nfs/dbraw/zinc/59/86/67/790598667.db2.gz SKFUHKVGIACVPE-PMPSAXMXSA-N 2 2 351.451 -1.155 20 0 FAADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccnn3C)C[C@@H]2O)C1 ZINC001084078260 790598655 /nfs/dbraw/zinc/59/86/55/790598655.db2.gz SKFUHKVGIACVPE-PMPSAXMXSA-N 2 2 351.451 -1.155 20 0 FAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCc3cnn(C)c3)C[C@@H]2O)C1 ZINC001084078273 790599384 /nfs/dbraw/zinc/59/93/84/790599384.db2.gz SRBZBPCAQDURNO-OWCLPIDISA-N 2 2 351.451 -1.155 20 0 FAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCc3cnn(C)c3)C[C@@H]2O)C1 ZINC001084078273 790599372 /nfs/dbraw/zinc/59/93/72/790599372.db2.gz SRBZBPCAQDURNO-OWCLPIDISA-N 2 2 351.451 -1.155 20 0 FAADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCc3cnn(C)c3)C[C@@H]2O)C1 ZINC001084078273 790599361 /nfs/dbraw/zinc/59/93/61/790599361.db2.gz SRBZBPCAQDURNO-OWCLPIDISA-N 2 2 351.451 -1.155 20 0 FAADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCc3cnn(C)c3)C[C@@H]2O)C1 ZINC001084078273 790599351 /nfs/dbraw/zinc/59/93/51/790599351.db2.gz SRBZBPCAQDURNO-OWCLPIDISA-N 2 2 351.451 -1.155 20 0 FAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCc3cnn(C)c3)C[C@@H]2O)C1 ZINC001084078274 790599221 /nfs/dbraw/zinc/59/92/21/790599221.db2.gz SRBZBPCAQDURNO-PMPSAXMXSA-N 2 2 351.451 -1.155 20 0 FAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCc3cnn(C)c3)C[C@@H]2O)C1 ZINC001084078274 790599212 /nfs/dbraw/zinc/59/92/12/790599212.db2.gz SRBZBPCAQDURNO-PMPSAXMXSA-N 2 2 351.451 -1.155 20 0 FAADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCc3cnn(C)c3)C[C@@H]2O)C1 ZINC001084078274 790599204 /nfs/dbraw/zinc/59/92/04/790599204.db2.gz SRBZBPCAQDURNO-PMPSAXMXSA-N 2 2 351.451 -1.155 20 0 FAADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCc3cnn(C)c3)C[C@@H]2O)C1 ZINC001084078274 790599195 /nfs/dbraw/zinc/59/91/95/790599195.db2.gz SRBZBPCAQDURNO-PMPSAXMXSA-N 2 2 351.451 -1.155 20 0 FAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@@H]2O)C1 ZINC001084078799 790600657 /nfs/dbraw/zinc/60/06/57/790600657.db2.gz JADCTVMBRPDPLP-ILXRZTDVSA-N 2 2 354.451 -1.509 20 0 FAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@@H]2O)C1 ZINC001084078799 790600654 /nfs/dbraw/zinc/60/06/54/790600654.db2.gz JADCTVMBRPDPLP-ILXRZTDVSA-N 2 2 354.451 -1.509 20 0 FAADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCN3CCCC3=O)C[C@@H]2O)C1 ZINC001084078799 790600647 /nfs/dbraw/zinc/60/06/47/790600647.db2.gz JADCTVMBRPDPLP-ILXRZTDVSA-N 2 2 354.451 -1.509 20 0 FAADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCN3CCCC3=O)C[C@@H]2O)C1 ZINC001084078799 790600638 /nfs/dbraw/zinc/60/06/38/790600638.db2.gz JADCTVMBRPDPLP-ILXRZTDVSA-N 2 2 354.451 -1.509 20 0 FAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@@H]2O)C1 ZINC001084078800 790600704 /nfs/dbraw/zinc/60/07/04/790600704.db2.gz JADCTVMBRPDPLP-QLFBSQMISA-N 2 2 354.451 -1.509 20 0 FAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@@H]2O)C1 ZINC001084078800 790600697 /nfs/dbraw/zinc/60/06/97/790600697.db2.gz JADCTVMBRPDPLP-QLFBSQMISA-N 2 2 354.451 -1.509 20 0 FAADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCN3CCCC3=O)C[C@@H]2O)C1 ZINC001084078800 790600689 /nfs/dbraw/zinc/60/06/89/790600689.db2.gz JADCTVMBRPDPLP-QLFBSQMISA-N 2 2 354.451 -1.509 20 0 FAADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCN3CCCC3=O)C[C@@H]2O)C1 ZINC001084078800 790600684 /nfs/dbraw/zinc/60/06/84/790600684.db2.gz JADCTVMBRPDPLP-QLFBSQMISA-N 2 2 354.451 -1.509 20 0 FAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@@H]2O)C1 ZINC001084078810 790600380 /nfs/dbraw/zinc/60/03/80/790600380.db2.gz JMWXAQDRDCAQGW-HZSPNIEDSA-N 2 2 355.439 -2.106 20 0 FAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@@H]2O)C1 ZINC001084078810 790600376 /nfs/dbraw/zinc/60/03/76/790600376.db2.gz JMWXAQDRDCAQGW-HZSPNIEDSA-N 2 2 355.439 -2.106 20 0 FAADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)C[C@@H]2O)C1 ZINC001084078810 790600372 /nfs/dbraw/zinc/60/03/72/790600372.db2.gz JMWXAQDRDCAQGW-HZSPNIEDSA-N 2 2 355.439 -2.106 20 0 FAADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)C[C@@H]2O)C1 ZINC001084078810 790600363 /nfs/dbraw/zinc/60/03/63/790600363.db2.gz JMWXAQDRDCAQGW-HZSPNIEDSA-N 2 2 355.439 -2.106 20 0 FAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@@H]2O)C1 ZINC001084078811 790600415 /nfs/dbraw/zinc/60/04/15/790600415.db2.gz JMWXAQDRDCAQGW-RDBSUJKOSA-N 2 2 355.439 -2.106 20 0 FAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@@H]2O)C1 ZINC001084078811 790600411 /nfs/dbraw/zinc/60/04/11/790600411.db2.gz JMWXAQDRDCAQGW-RDBSUJKOSA-N 2 2 355.439 -2.106 20 0 FAADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)C[C@@H]2O)C1 ZINC001084078811 790600410 /nfs/dbraw/zinc/60/04/10/790600410.db2.gz JMWXAQDRDCAQGW-RDBSUJKOSA-N 2 2 355.439 -2.106 20 0 FAADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)C[C@@H]2O)C1 ZINC001084078811 790600402 /nfs/dbraw/zinc/60/04/02/790600402.db2.gz JMWXAQDRDCAQGW-RDBSUJKOSA-N 2 2 355.439 -2.106 20 0 FAADLP CS(=O)(=O)N1CC[C@H](C[N@@H+]2C[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](O)C2)C1 ZINC001084114914 790613739 /nfs/dbraw/zinc/61/37/39/790613739.db2.gz NVYYTWHORFASJQ-MCIONIFRSA-N 2 2 371.463 -1.674 20 0 FAADLP CS(=O)(=O)N1CC[C@H](C[N@H+]2C[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](O)C2)C1 ZINC001084114914 790613736 /nfs/dbraw/zinc/61/37/36/790613736.db2.gz NVYYTWHORFASJQ-MCIONIFRSA-N 2 2 371.463 -1.674 20 0 FAADLP CS(=O)(=O)N1CC[C@@H](C[N@@H+]2C[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](O)C2)C1 ZINC001084114915 790613566 /nfs/dbraw/zinc/61/35/66/790613566.db2.gz NVYYTWHORFASJQ-MJBXVCDLSA-N 2 2 371.463 -1.674 20 0 FAADLP CS(=O)(=O)N1CC[C@@H](C[N@H+]2C[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](O)C2)C1 ZINC001084114915 790613562 /nfs/dbraw/zinc/61/35/62/790613562.db2.gz NVYYTWHORFASJQ-MJBXVCDLSA-N 2 2 371.463 -1.674 20 0 FAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@@H]1O ZINC001084115372 790613430 /nfs/dbraw/zinc/61/34/30/790613430.db2.gz LYJKUVADEKNNIS-NEPJUHHUSA-N 2 2 350.379 -2.014 20 0 FAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)C[C@@H]1O ZINC001084115372 790613424 /nfs/dbraw/zinc/61/34/24/790613424.db2.gz LYJKUVADEKNNIS-NEPJUHHUSA-N 2 2 350.379 -2.014 20 0 FAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](C[C@H](O)CN2CCCC2=O)C[C@@H]1O ZINC001084116349 790613815 /nfs/dbraw/zinc/61/38/15/790613815.db2.gz LWLQKMKGJXMANF-MJBXVCDLSA-N 2 2 351.407 -1.972 20 0 FAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)C[C@@H]1O ZINC001084116349 790613809 /nfs/dbraw/zinc/61/38/09/790613809.db2.gz LWLQKMKGJXMANF-MJBXVCDLSA-N 2 2 351.407 -1.972 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[N@@H+](CCN4CCNC4=O)C[C@H]32)C1 ZINC001084251256 790624356 /nfs/dbraw/zinc/62/43/56/790624356.db2.gz GZTDCGDWCSTFSZ-KFWWJZLASA-N 2 2 351.451 -1.125 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[N@H+](CCN4CCNC4=O)C[C@H]32)C1 ZINC001084251256 790624351 /nfs/dbraw/zinc/62/43/51/790624351.db2.gz GZTDCGDWCSTFSZ-KFWWJZLASA-N 2 2 351.451 -1.125 20 0 FAADLP C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[NH+](CCN4CCNC4=O)C[C@H]32)C1 ZINC001084251256 790624347 /nfs/dbraw/zinc/62/43/47/790624347.db2.gz GZTDCGDWCSTFSZ-KFWWJZLASA-N 2 2 351.451 -1.125 20 0 FAADLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[NH+](CCN4CCNC4=O)C[C@H]32)C1 ZINC001084251256 790624342 /nfs/dbraw/zinc/62/43/42/790624342.db2.gz GZTDCGDWCSTFSZ-KFWWJZLASA-N 2 2 351.451 -1.125 20 0 FAADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CCN4CCNC4=O)C[C@H]32)C1 ZINC001084251257 790624563 /nfs/dbraw/zinc/62/45/63/790624563.db2.gz GZTDCGDWCSTFSZ-RBSFLKMASA-N 2 2 351.451 -1.125 20 0 FAADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[N@H+](CCN4CCNC4=O)C[C@H]32)C1 ZINC001084251257 790624557 /nfs/dbraw/zinc/62/45/57/790624557.db2.gz GZTDCGDWCSTFSZ-RBSFLKMASA-N 2 2 351.451 -1.125 20 0 FAADLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[NH+](CCN4CCNC4=O)C[C@H]32)C1 ZINC001084251257 790624554 /nfs/dbraw/zinc/62/45/54/790624554.db2.gz GZTDCGDWCSTFSZ-RBSFLKMASA-N 2 2 351.451 -1.125 20 0 FAADLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[NH+](CCN4CCNC4=O)C[C@H]32)C1 ZINC001084251257 790624550 /nfs/dbraw/zinc/62/45/50/790624550.db2.gz GZTDCGDWCSTFSZ-RBSFLKMASA-N 2 2 351.451 -1.125 20 0 FAADLP Cn1[nH]c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@@H+](C)CCO2)nc1=O ZINC001085159556 790641771 /nfs/dbraw/zinc/64/17/71/790641771.db2.gz ZCQLTJKYXXRNAH-JHJVBQTASA-N 2 2 352.439 -1.044 20 0 FAADLP Cn1[nH]c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@H+](C)CCO2)nc1=O ZINC001085159556 790641766 /nfs/dbraw/zinc/64/17/66/790641766.db2.gz ZCQLTJKYXXRNAH-JHJVBQTASA-N 2 2 352.439 -1.044 20 0 FAADLP Cn1[nH]c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[N@@H+](C)CCO2)nc1=O ZINC001085159557 790641576 /nfs/dbraw/zinc/64/15/76/790641576.db2.gz ZCQLTJKYXXRNAH-UPJWGTAASA-N 2 2 352.439 -1.044 20 0 FAADLP Cn1[nH]c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[N@H+](C)CCO2)nc1=O ZINC001085159557 790641567 /nfs/dbraw/zinc/64/15/67/790641567.db2.gz ZCQLTJKYXXRNAH-UPJWGTAASA-N 2 2 352.439 -1.044 20 0 FAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)O1 ZINC001086121035 790665118 /nfs/dbraw/zinc/66/51/18/790665118.db2.gz YYPMMJOVEXKHAY-FVCCEPFGSA-N 2 2 352.439 -1.188 20 0 FAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)O1 ZINC001086121035 790665108 /nfs/dbraw/zinc/66/51/08/790665108.db2.gz YYPMMJOVEXKHAY-FVCCEPFGSA-N 2 2 352.439 -1.188 20 0 FAADLP NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001086156651 790665219 /nfs/dbraw/zinc/66/52/19/790665219.db2.gz KDALSLCBSQWQHV-BARDWOONSA-N 2 2 354.451 -1.164 20 0 FAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)O1 ZINC001086400830 790668586 /nfs/dbraw/zinc/66/85/86/790668586.db2.gz YYPMMJOVEXKHAY-FDYHWXHSSA-N 2 2 352.439 -1.188 20 0 FAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)O1 ZINC001086400830 790668575 /nfs/dbraw/zinc/66/85/75/790668575.db2.gz YYPMMJOVEXKHAY-FDYHWXHSSA-N 2 2 352.439 -1.188 20 0 FAADLP NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001086436490 790668370 /nfs/dbraw/zinc/66/83/70/790668370.db2.gz KDALSLCBSQWQHV-TUVASFSCSA-N 2 2 354.451 -1.164 20 0 FAADLP Cn1[nH]c(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)nc1=O ZINC001086665070 790826075 /nfs/dbraw/zinc/82/60/75/790826075.db2.gz PAVFSDRAOCMUNP-XQQFMLRXSA-N 2 2 352.439 -1.187 20 0 FAADLP Cn1[nH]c(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)nc1=O ZINC001086665070 790826064 /nfs/dbraw/zinc/82/60/64/790826064.db2.gz PAVFSDRAOCMUNP-XQQFMLRXSA-N 2 2 352.439 -1.187 20 0 FAADLP Cn1[nH]c(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)nc1=O ZINC001086665071 790826745 /nfs/dbraw/zinc/82/67/45/790826745.db2.gz PAVFSDRAOCMUNP-YNEHKIRRSA-N 2 2 352.439 -1.187 20 0 FAADLP Cn1[nH]c(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)nc1=O ZINC001086665071 790826730 /nfs/dbraw/zinc/82/67/30/790826730.db2.gz PAVFSDRAOCMUNP-YNEHKIRRSA-N 2 2 352.439 -1.187 20 0 FAADLP Cn1cc([C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086973280 790916614 /nfs/dbraw/zinc/91/66/14/790916614.db2.gz YDUDCHZGCLBETL-BFHYXJOUSA-N 2 2 350.423 -1.880 20 0 FAADLP Cn1cc([C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086973280 790916609 /nfs/dbraw/zinc/91/66/09/790916609.db2.gz YDUDCHZGCLBETL-BFHYXJOUSA-N 2 2 350.423 -1.880 20 0 FAADLP Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086973281 790916914 /nfs/dbraw/zinc/91/69/14/790916914.db2.gz YDUDCHZGCLBETL-MJBXVCDLSA-N 2 2 350.423 -1.880 20 0 FAADLP Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086973281 790916905 /nfs/dbraw/zinc/91/69/05/790916905.db2.gz YDUDCHZGCLBETL-MJBXVCDLSA-N 2 2 350.423 -1.880 20 0 FAADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1CCN1C(=O)CNC1=O ZINC001088506013 790378850 /nfs/dbraw/zinc/37/88/50/790378850.db2.gz DTSBVUIMQNWLOE-AGIUHOORSA-N 2 2 353.423 -1.552 20 0 FAADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1CCN1C(=O)CNC1=O ZINC001088506013 790378834 /nfs/dbraw/zinc/37/88/34/790378834.db2.gz DTSBVUIMQNWLOE-AGIUHOORSA-N 2 2 353.423 -1.552 20 0 FAADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1CCN1C(=O)CNC1=O ZINC001088506013 790378821 /nfs/dbraw/zinc/37/88/21/790378821.db2.gz DTSBVUIMQNWLOE-AGIUHOORSA-N 2 2 353.423 -1.552 20 0 FAADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1CCN1C(=O)CNC1=O ZINC001088506013 790378806 /nfs/dbraw/zinc/37/88/06/790378806.db2.gz DTSBVUIMQNWLOE-AGIUHOORSA-N 2 2 353.423 -1.552 20 0 FAADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1CCN1C(=O)CNC1=O ZINC001088506014 790377629 /nfs/dbraw/zinc/37/76/29/790377629.db2.gz DTSBVUIMQNWLOE-FRRDWIJNSA-N 2 2 353.423 -1.552 20 0 FAADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+]1CCN1C(=O)CNC1=O ZINC001088506014 790377617 /nfs/dbraw/zinc/37/76/17/790377617.db2.gz DTSBVUIMQNWLOE-FRRDWIJNSA-N 2 2 353.423 -1.552 20 0 FAADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1CCN1C(=O)CNC1=O ZINC001088506014 790377609 /nfs/dbraw/zinc/37/76/09/790377609.db2.gz DTSBVUIMQNWLOE-FRRDWIJNSA-N 2 2 353.423 -1.552 20 0 FAADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1CCN1C(=O)CNC1=O ZINC001088506014 790377594 /nfs/dbraw/zinc/37/75/94/790377594.db2.gz DTSBVUIMQNWLOE-FRRDWIJNSA-N 2 2 353.423 -1.552 20 0 FAADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CC(=O)N1CCNC(=O)C1 ZINC001089037886 790433405 /nfs/dbraw/zinc/43/34/05/790433405.db2.gz VHJUCNKNAYKKQY-MCIONIFRSA-N 2 2 351.451 -1.525 20 0 FAADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1CC(=O)N1CCNC(=O)C1 ZINC001089037886 790433400 /nfs/dbraw/zinc/43/34/00/790433400.db2.gz VHJUCNKNAYKKQY-MCIONIFRSA-N 2 2 351.451 -1.525 20 0 FAADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC001089037886 790433396 /nfs/dbraw/zinc/43/33/96/790433396.db2.gz VHJUCNKNAYKKQY-MCIONIFRSA-N 2 2 351.451 -1.525 20 0 FAADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC001089037886 790433387 /nfs/dbraw/zinc/43/33/87/790433387.db2.gz VHJUCNKNAYKKQY-MCIONIFRSA-N 2 2 351.451 -1.525 20 0 FAADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC[NH+]1CC(=O)N1CCNC(=O)C1 ZINC001089037887 790433433 /nfs/dbraw/zinc/43/34/33/790433433.db2.gz VHJUCNKNAYKKQY-RDBSUJKOSA-N 2 2 351.451 -1.525 20 0 FAADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1CC(=O)N1CCNC(=O)C1 ZINC001089037887 790433431 /nfs/dbraw/zinc/43/34/31/790433431.db2.gz VHJUCNKNAYKKQY-RDBSUJKOSA-N 2 2 351.451 -1.525 20 0 FAADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC001089037887 790433430 /nfs/dbraw/zinc/43/34/30/790433430.db2.gz VHJUCNKNAYKKQY-RDBSUJKOSA-N 2 2 351.451 -1.525 20 0 FAADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC001089037887 790433427 /nfs/dbraw/zinc/43/34/27/790433427.db2.gz VHJUCNKNAYKKQY-RDBSUJKOSA-N 2 2 351.451 -1.525 20 0 FAADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC001089038311 790433631 /nfs/dbraw/zinc/43/36/31/790433631.db2.gz OCPJQSBGEMQBNA-KGLIPLIRSA-N 2 2 351.451 -1.380 20 0 FAADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC001089038311 790433624 /nfs/dbraw/zinc/43/36/24/790433624.db2.gz OCPJQSBGEMQBNA-KGLIPLIRSA-N 2 2 351.451 -1.380 20 0 FAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC([NH2+]Cc3nc(=O)n(C)[nH]3)C2)O1 ZINC001091096771 790873174 /nfs/dbraw/zinc/87/31/74/790873174.db2.gz YYPMMJOVEXKHAY-IKWCTNDRSA-N 2 2 352.439 -1.188 20 0 FAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC([NH2+]Cc3nc(=O)n(C)[nH]3)C2)O1 ZINC001091096771 790873158 /nfs/dbraw/zinc/87/31/58/790873158.db2.gz YYPMMJOVEXKHAY-IKWCTNDRSA-N 2 2 352.439 -1.188 20 0 FAADLP NC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001091158884 790876524 /nfs/dbraw/zinc/87/65/24/790876524.db2.gz KDALSLCBSQWQHV-CVSAEHQPSA-N 2 2 354.451 -1.164 20 0 FAADLP C[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001092521695 790930231 /nfs/dbraw/zinc/93/02/31/790930231.db2.gz BJVNJUIHCYQQEY-JHJVBQTASA-N 2 2 352.439 -1.377 20 0 FAADLP C[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001092521695 790930224 /nfs/dbraw/zinc/93/02/24/790930224.db2.gz BJVNJUIHCYQQEY-JHJVBQTASA-N 2 2 352.439 -1.377 20 0 FAADLP C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001092521695 790930218 /nfs/dbraw/zinc/93/02/18/790930218.db2.gz BJVNJUIHCYQQEY-JHJVBQTASA-N 2 2 352.439 -1.377 20 0 FAADLP C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001092521695 790930207 /nfs/dbraw/zinc/93/02/07/790930207.db2.gz BJVNJUIHCYQQEY-JHJVBQTASA-N 2 2 352.439 -1.377 20 0 FAADLP C[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001092521696 790930575 /nfs/dbraw/zinc/93/05/75/790930575.db2.gz BJVNJUIHCYQQEY-UPJWGTAASA-N 2 2 352.439 -1.377 20 0 FAADLP C[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001092521696 790930570 /nfs/dbraw/zinc/93/05/70/790930570.db2.gz BJVNJUIHCYQQEY-UPJWGTAASA-N 2 2 352.439 -1.377 20 0 FAADLP C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001092521696 790930565 /nfs/dbraw/zinc/93/05/65/790930565.db2.gz BJVNJUIHCYQQEY-UPJWGTAASA-N 2 2 352.439 -1.377 20 0 FAADLP C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001092521696 790930559 /nfs/dbraw/zinc/93/05/59/790930559.db2.gz BJVNJUIHCYQQEY-UPJWGTAASA-N 2 2 352.439 -1.377 20 0 FAADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001093691154 790941070 /nfs/dbraw/zinc/94/10/70/790941070.db2.gz KJXFTRBOHGDVDT-JHJVBQTASA-N 2 2 352.439 -1.377 20 0 FAADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001093691154 790941062 /nfs/dbraw/zinc/94/10/62/790941062.db2.gz KJXFTRBOHGDVDT-JHJVBQTASA-N 2 2 352.439 -1.377 20 0 FAADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001093691155 790940668 /nfs/dbraw/zinc/94/06/68/790940668.db2.gz KJXFTRBOHGDVDT-UPJWGTAASA-N 2 2 352.439 -1.377 20 0 FAADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001093691155 790940661 /nfs/dbraw/zinc/94/06/61/790940661.db2.gz KJXFTRBOHGDVDT-UPJWGTAASA-N 2 2 352.439 -1.377 20 0 FAADLP C[C@@H](O)C[NH+]1CC(n2cc(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)nn2)C1 ZINC001094299405 790947214 /nfs/dbraw/zinc/94/72/14/790947214.db2.gz BKOCATHCPOPNSY-LALPHHSUSA-N 2 2 352.439 -1.149 20 0 FAADLP C[C@@H](O)C[NH+]1CC(n2cc(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)nn2)C1 ZINC001094299405 790947204 /nfs/dbraw/zinc/94/72/04/790947204.db2.gz BKOCATHCPOPNSY-LALPHHSUSA-N 2 2 352.439 -1.149 20 0 FAADLP C[C@H](O)C[NH+]1CC(n2cc(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)nn2)C1 ZINC001094299406 790947566 /nfs/dbraw/zinc/94/75/66/790947566.db2.gz BKOCATHCPOPNSY-YWPYICTPSA-N 2 2 352.439 -1.149 20 0 FAADLP C[C@H](O)C[NH+]1CC(n2cc(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)nn2)C1 ZINC001094299406 790947560 /nfs/dbraw/zinc/94/75/60/790947560.db2.gz BKOCATHCPOPNSY-YWPYICTPSA-N 2 2 352.439 -1.149 20 0 FAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCc2cn(C3C[NH+](CCCO)C3)nn2)O1 ZINC001094299710 790947309 /nfs/dbraw/zinc/94/73/09/790947309.db2.gz LPRBVWBPNVJRJA-IUODEOHRSA-N 2 2 352.439 -1.148 20 0 FAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCc2cn(C3C[NH+](CCCO)C3)nn2)O1 ZINC001094299710 790947304 /nfs/dbraw/zinc/94/73/04/790947304.db2.gz LPRBVWBPNVJRJA-IUODEOHRSA-N 2 2 352.439 -1.148 20 0 FAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CC(=O)N(C3C[NH+](CCCO)C3)C2)O1 ZINC001094749147 790996808 /nfs/dbraw/zinc/99/68/08/790996808.db2.gz LVBPXRAMUUFHLD-UMVBOHGHSA-N 2 2 354.451 -1.511 20 0 FAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CC(=O)N(C3C[NH+](CCCO)C3)C2)O1 ZINC001094749147 790996806 /nfs/dbraw/zinc/99/68/06/790996806.db2.gz LVBPXRAMUUFHLD-UMVBOHGHSA-N 2 2 354.451 -1.511 20 0 FAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC(=O)N(C3C[NH+](CCCO)C3)C2)O1 ZINC001094749148 790996841 /nfs/dbraw/zinc/99/68/41/790996841.db2.gz LVBPXRAMUUFHLD-VNHYZAJKSA-N 2 2 354.451 -1.511 20 0 FAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC(=O)N(C3C[NH+](CCCO)C3)C2)O1 ZINC001094749148 790996835 /nfs/dbraw/zinc/99/68/35/790996835.db2.gz LVBPXRAMUUFHLD-VNHYZAJKSA-N 2 2 354.451 -1.511 20 0 FAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](n3cc(C[NH2+]CCO)nn3)C2)O1 ZINC001098685830 792585044 /nfs/dbraw/zinc/58/50/44/792585044.db2.gz RLNXMVXDGOUIJI-BPLDGKMQSA-N 2 2 352.439 -1.148 20 0 FAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](n3cc(C[NH2+]CCO)nn3)C2)O1 ZINC001098685830 792585038 /nfs/dbraw/zinc/58/50/38/792585038.db2.gz RLNXMVXDGOUIJI-BPLDGKMQSA-N 2 2 352.439 -1.148 20 0 FAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](n3cc(C[NH2+]CCO)nn3)C2)O1 ZINC001098685831 789683143 /nfs/dbraw/zinc/68/31/43/789683143.db2.gz RLNXMVXDGOUIJI-VHDGCEQUSA-N 2 2 352.439 -1.148 20 0 FAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](n3cc(C[NH2+]CCO)nn3)C2)O1 ZINC001098685831 789683140 /nfs/dbraw/zinc/68/31/40/789683140.db2.gz RLNXMVXDGOUIJI-VHDGCEQUSA-N 2 2 352.439 -1.148 20 0 FAADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@@]3(C)C2)C1 ZINC001101188080 792595828 /nfs/dbraw/zinc/59/58/28/792595828.db2.gz ZWUJBSBERHNJET-HSMVNMDESA-N 2 2 353.423 -1.708 20 0 FAADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@@]3(C)C2)C1 ZINC001101188080 792595818 /nfs/dbraw/zinc/59/58/18/792595818.db2.gz ZWUJBSBERHNJET-HSMVNMDESA-N 2 2 353.423 -1.708 20 0 FAADLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](CC(=O)NC(N)=O)C[C@@]3(C)C2)C1 ZINC001101188080 792595814 /nfs/dbraw/zinc/59/58/14/792595814.db2.gz ZWUJBSBERHNJET-HSMVNMDESA-N 2 2 353.423 -1.708 20 0 FAADLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](CC(=O)NC(N)=O)C[C@@]3(C)C2)C1 ZINC001101188080 792595807 /nfs/dbraw/zinc/59/58/07/792595807.db2.gz ZWUJBSBERHNJET-HSMVNMDESA-N 2 2 353.423 -1.708 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@@]3(C)C2)C1 ZINC001101188084 792595985 /nfs/dbraw/zinc/59/59/85/792595985.db2.gz ZWUJBSBERHNJET-WQGACYEGSA-N 2 2 353.423 -1.708 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@@]3(C)C2)C1 ZINC001101188084 792595981 /nfs/dbraw/zinc/59/59/81/792595981.db2.gz ZWUJBSBERHNJET-WQGACYEGSA-N 2 2 353.423 -1.708 20 0 FAADLP C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](CC(=O)NC(N)=O)C[C@@]3(C)C2)C1 ZINC001101188084 792595975 /nfs/dbraw/zinc/59/59/75/792595975.db2.gz ZWUJBSBERHNJET-WQGACYEGSA-N 2 2 353.423 -1.708 20 0 FAADLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](CC(=O)NC(N)=O)C[C@@]3(C)C2)C1 ZINC001101188084 792595967 /nfs/dbraw/zinc/59/59/67/792595967.db2.gz ZWUJBSBERHNJET-WQGACYEGSA-N 2 2 353.423 -1.708 20 0 FAADLP CNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC001101844423 792611720 /nfs/dbraw/zinc/61/17/20/792611720.db2.gz ZUEMLBPNLNSJOD-JHJVBQTASA-N 2 2 355.439 -1.543 20 0 FAADLP CNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC001101844423 792611715 /nfs/dbraw/zinc/61/17/15/792611715.db2.gz ZUEMLBPNLNSJOD-JHJVBQTASA-N 2 2 355.439 -1.543 20 0 FAADLP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001101844423 792611713 /nfs/dbraw/zinc/61/17/13/792611713.db2.gz ZUEMLBPNLNSJOD-JHJVBQTASA-N 2 2 355.439 -1.543 20 0 FAADLP CNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001101844423 792611708 /nfs/dbraw/zinc/61/17/08/792611708.db2.gz ZUEMLBPNLNSJOD-JHJVBQTASA-N 2 2 355.439 -1.543 20 0 FAADLP CNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC001101844424 792612634 /nfs/dbraw/zinc/61/26/34/792612634.db2.gz ZUEMLBPNLNSJOD-UPJWGTAASA-N 2 2 355.439 -1.543 20 0 FAADLP CNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC001101844424 792612628 /nfs/dbraw/zinc/61/26/28/792612628.db2.gz ZUEMLBPNLNSJOD-UPJWGTAASA-N 2 2 355.439 -1.543 20 0 FAADLP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001101844424 792612621 /nfs/dbraw/zinc/61/26/21/792612621.db2.gz ZUEMLBPNLNSJOD-UPJWGTAASA-N 2 2 355.439 -1.543 20 0 FAADLP CNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001101844424 792612619 /nfs/dbraw/zinc/61/26/19/792612619.db2.gz ZUEMLBPNLNSJOD-UPJWGTAASA-N 2 2 355.439 -1.543 20 0 FAADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001106621543 790462630 /nfs/dbraw/zinc/46/26/30/790462630.db2.gz QITLIWQFKJLBDC-QKCSRTOESA-N 2 2 350.423 -1.374 20 0 FAADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001106621543 790462626 /nfs/dbraw/zinc/46/26/26/790462626.db2.gz QITLIWQFKJLBDC-QKCSRTOESA-N 2 2 350.423 -1.374 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@]2(C)C[N@@H+](CCOCCO)CCO2)O1 ZINC001108024669 790519835 /nfs/dbraw/zinc/51/98/35/790519835.db2.gz OBAGIYXCTIRJNN-BFYDXBDKSA-N 2 2 359.467 -1.079 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@]2(C)C[N@H+](CCOCCO)CCO2)O1 ZINC001108024669 790519828 /nfs/dbraw/zinc/51/98/28/790519828.db2.gz OBAGIYXCTIRJNN-BFYDXBDKSA-N 2 2 359.467 -1.079 20 0 FAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@]2(C)C[NH+](CCOCCO)CCO2)O1 ZINC001108024669 790519819 /nfs/dbraw/zinc/51/98/19/790519819.db2.gz OBAGIYXCTIRJNN-BFYDXBDKSA-N 2 2 359.467 -1.079 20 0 FAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@]2(C)C[NH+](CCOCCO)CCO2)O1 ZINC001108024669 790519809 /nfs/dbraw/zinc/51/98/09/790519809.db2.gz OBAGIYXCTIRJNN-BFYDXBDKSA-N 2 2 359.467 -1.079 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@]2(C)C[N@@H+](CCOCCO)CCO2)O1 ZINC001108024677 790520169 /nfs/dbraw/zinc/52/01/69/790520169.db2.gz OBAGIYXCTIRJNN-INMHGKMJSA-N 2 2 359.467 -1.079 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@]2(C)C[N@H+](CCOCCO)CCO2)O1 ZINC001108024677 790520161 /nfs/dbraw/zinc/52/01/61/790520161.db2.gz OBAGIYXCTIRJNN-INMHGKMJSA-N 2 2 359.467 -1.079 20 0 FAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@]2(C)C[NH+](CCOCCO)CCO2)O1 ZINC001108024677 790520152 /nfs/dbraw/zinc/52/01/52/790520152.db2.gz OBAGIYXCTIRJNN-INMHGKMJSA-N 2 2 359.467 -1.079 20 0 FAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@]2(C)C[NH+](CCOCCO)CCO2)O1 ZINC001108024677 790520145 /nfs/dbraw/zinc/52/01/45/790520145.db2.gz OBAGIYXCTIRJNN-INMHGKMJSA-N 2 2 359.467 -1.079 20 0 FAADLP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1 ZINC001109673719 790737900 /nfs/dbraw/zinc/73/79/00/790737900.db2.gz PGJOBNPMQJBYBO-RDBSUJKOSA-N 2 2 351.451 -1.382 20 0 FAADLP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1 ZINC001109673719 790737892 /nfs/dbraw/zinc/73/78/92/790737892.db2.gz PGJOBNPMQJBYBO-RDBSUJKOSA-N 2 2 351.451 -1.382 20 0 FAADLP CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109977755 790743643 /nfs/dbraw/zinc/74/36/43/790743643.db2.gz YDGZTBMJESYCHA-AGIUHOORSA-N 2 2 355.439 -1.258 20 0 FAADLP CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109977755 790743634 /nfs/dbraw/zinc/74/36/34/790743634.db2.gz YDGZTBMJESYCHA-AGIUHOORSA-N 2 2 355.439 -1.258 20 0 FAADLP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNS(C)(=O)=O ZINC001109979926 790743714 /nfs/dbraw/zinc/74/37/14/790743714.db2.gz FQSZWDLTERVLMF-RDBSUJKOSA-N 2 2 362.496 -1.165 20 0 FAADLP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNS(C)(=O)=O ZINC001109979926 790743706 /nfs/dbraw/zinc/74/37/06/790743706.db2.gz FQSZWDLTERVLMF-RDBSUJKOSA-N 2 2 362.496 -1.165 20 0 FAADLP C[C@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109979946 790743609 /nfs/dbraw/zinc/74/36/09/790743609.db2.gz GHBCREQSQMPKSZ-NDBYEHHHSA-N 2 2 355.439 -1.131 20 0 FAADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109979946 790743601 /nfs/dbraw/zinc/74/36/01/790743601.db2.gz GHBCREQSQMPKSZ-NDBYEHHHSA-N 2 2 355.439 -1.131 20 0 FAADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109979947 790743584 /nfs/dbraw/zinc/74/35/84/790743584.db2.gz GHBCREQSQMPKSZ-RNJOBUHISA-N 2 2 355.439 -1.131 20 0 FAADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109979947 790743578 /nfs/dbraw/zinc/74/35/78/790743578.db2.gz GHBCREQSQMPKSZ-RNJOBUHISA-N 2 2 355.439 -1.131 20 0 FAADLP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1 ZINC001110981422 792554300 /nfs/dbraw/zinc/55/43/00/792554300.db2.gz PGJOBNPMQJBYBO-MCIONIFRSA-N 2 2 351.451 -1.382 20 0 FAADLP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1 ZINC001110981422 792554291 /nfs/dbraw/zinc/55/42/91/792554291.db2.gz PGJOBNPMQJBYBO-MCIONIFRSA-N 2 2 351.451 -1.382 20 0 FAADLP CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111277571 792560236 /nfs/dbraw/zinc/56/02/36/792560236.db2.gz YDGZTBMJESYCHA-UPJWGTAASA-N 2 2 355.439 -1.258 20 0 FAADLP CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111277571 792560225 /nfs/dbraw/zinc/56/02/25/792560225.db2.gz YDGZTBMJESYCHA-UPJWGTAASA-N 2 2 355.439 -1.258 20 0 FAADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNS(C)(=O)=O ZINC001111279624 792561158 /nfs/dbraw/zinc/56/11/58/792561158.db2.gz FQSZWDLTERVLMF-MCIONIFRSA-N 2 2 362.496 -1.165 20 0 FAADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNS(C)(=O)=O ZINC001111279624 792561157 /nfs/dbraw/zinc/56/11/57/792561157.db2.gz FQSZWDLTERVLMF-MCIONIFRSA-N 2 2 362.496 -1.165 20 0 FAADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111280984 792561298 /nfs/dbraw/zinc/56/12/98/792561298.db2.gz GHBCREQSQMPKSZ-LOWDOPEQSA-N 2 2 355.439 -1.131 20 0 FAADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111280984 792561293 /nfs/dbraw/zinc/56/12/93/792561293.db2.gz GHBCREQSQMPKSZ-LOWDOPEQSA-N 2 2 355.439 -1.131 20 0 FAADLP C[C@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111281103 792561127 /nfs/dbraw/zinc/56/11/27/792561127.db2.gz GHBCREQSQMPKSZ-LPWJVIDDSA-N 2 2 355.439 -1.131 20 0 FAADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111281103 792561121 /nfs/dbraw/zinc/56/11/21/792561121.db2.gz GHBCREQSQMPKSZ-LPWJVIDDSA-N 2 2 355.439 -1.131 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)NC(N)=O)C3)C1 ZINC001111678541 792656952 /nfs/dbraw/zinc/65/69/52/792656952.db2.gz JRCFUMHCWPBRRW-MKBNYLNASA-N 2 2 353.423 -1.517 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)NC(N)=O)C3)C1 ZINC001111678541 792656946 /nfs/dbraw/zinc/65/69/46/792656946.db2.gz JRCFUMHCWPBRRW-MKBNYLNASA-N 2 2 353.423 -1.517 20 0 FAADLP C[N@H+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NC(N)=O)C3)C1 ZINC001111678541 792656942 /nfs/dbraw/zinc/65/69/42/792656942.db2.gz JRCFUMHCWPBRRW-MKBNYLNASA-N 2 2 353.423 -1.517 20 0 FAADLP C[N@@H+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NC(N)=O)C3)C1 ZINC001111678541 792656938 /nfs/dbraw/zinc/65/69/38/792656938.db2.gz JRCFUMHCWPBRRW-MKBNYLNASA-N 2 2 353.423 -1.517 20 0 FAADLP C[NH+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)NC(N)=O)C3)C1 ZINC001111678542 792657312 /nfs/dbraw/zinc/65/73/12/792657312.db2.gz JRCFUMHCWPBRRW-OZVIIMIRSA-N 2 2 353.423 -1.517 20 0 FAADLP C[NH+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)NC(N)=O)C3)C1 ZINC001111678542 792657305 /nfs/dbraw/zinc/65/73/05/792657305.db2.gz JRCFUMHCWPBRRW-OZVIIMIRSA-N 2 2 353.423 -1.517 20 0 FAADLP C[N@H+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NC(N)=O)C3)C1 ZINC001111678542 792657298 /nfs/dbraw/zinc/65/72/98/792657298.db2.gz JRCFUMHCWPBRRW-OZVIIMIRSA-N 2 2 353.423 -1.517 20 0 FAADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NC(N)=O)C3)C1 ZINC001111678542 792657292 /nfs/dbraw/zinc/65/72/92/792657292.db2.gz JRCFUMHCWPBRRW-OZVIIMIRSA-N 2 2 353.423 -1.517 20 0 FAADLP COCCOC[C@H](O)C[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001113007532 790751376 /nfs/dbraw/zinc/75/13/76/790751376.db2.gz UCKGXJBPNSIHRW-BZUAXINKSA-N 2 2 359.467 -1.126 20 0 FAADLP COCCOC[C@H](O)C[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001113007532 790751366 /nfs/dbraw/zinc/75/13/66/790751366.db2.gz UCKGXJBPNSIHRW-BZUAXINKSA-N 2 2 359.467 -1.126 20 0 FAADLP COCCOC[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001113007533 790751337 /nfs/dbraw/zinc/75/13/37/790751337.db2.gz UCKGXJBPNSIHRW-OWCLPIDISA-N 2 2 359.467 -1.126 20 0 FAADLP COCCOC[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001113007533 790751329 /nfs/dbraw/zinc/75/13/29/790751329.db2.gz UCKGXJBPNSIHRW-OWCLPIDISA-N 2 2 359.467 -1.126 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCNS(C)(=O)=O)C[C@H]32)O1 ZINC001114453600 792491074 /nfs/dbraw/zinc/49/10/74/792491074.db2.gz OJRSGSVDNBFZKZ-RGDJUOJXSA-N 2 2 360.480 -1.699 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCNS(C)(=O)=O)C[C@H]32)O1 ZINC001114453600 792491068 /nfs/dbraw/zinc/49/10/68/792491068.db2.gz OJRSGSVDNBFZKZ-RGDJUOJXSA-N 2 2 360.480 -1.699 20 0 FAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCNS(C)(=O)=O)C[C@H]32)O1 ZINC001114453600 792491064 /nfs/dbraw/zinc/49/10/64/792491064.db2.gz OJRSGSVDNBFZKZ-RGDJUOJXSA-N 2 2 360.480 -1.699 20 0 FAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCNS(C)(=O)=O)C[C@H]32)O1 ZINC001114453600 792491056 /nfs/dbraw/zinc/49/10/56/792491056.db2.gz OJRSGSVDNBFZKZ-RGDJUOJXSA-N 2 2 360.480 -1.699 20 0 FAADLP CNC(=O)NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001114454292 792491269 /nfs/dbraw/zinc/49/12/69/792491269.db2.gz ZUSKHZVWOVLDGA-DIACKHNESA-N 2 2 353.423 -1.793 20 0 FAADLP CNC(=O)NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001114454292 792491265 /nfs/dbraw/zinc/49/12/65/792491265.db2.gz ZUSKHZVWOVLDGA-DIACKHNESA-N 2 2 353.423 -1.793 20 0 FAADLP CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001114454292 792491260 /nfs/dbraw/zinc/49/12/60/792491260.db2.gz ZUSKHZVWOVLDGA-DIACKHNESA-N 2 2 353.423 -1.793 20 0 FAADLP CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001114454292 792491256 /nfs/dbraw/zinc/49/12/56/792491256.db2.gz ZUSKHZVWOVLDGA-DIACKHNESA-N 2 2 353.423 -1.793 20 0 FAADLP NS(=O)(=O)[C@H]1CC[NH+](CCOCC[N@@H+]2CC[C@H](S(N)(=O)=O)C2)C1 ZINC001116455532 792686072 /nfs/dbraw/zinc/68/60/72/792686072.db2.gz BRKVGXNMPUUBAA-RYUDHWBXSA-N 2 2 370.497 -2.271 20 0 FAADLP NS(=O)(=O)[C@H]1CC[NH+](CCOCC[N@H+]2CC[C@H](S(N)(=O)=O)C2)C1 ZINC001116455532 792686070 /nfs/dbraw/zinc/68/60/70/792686070.db2.gz BRKVGXNMPUUBAA-RYUDHWBXSA-N 2 2 370.497 -2.271 20 0 FAADLP NS(=O)(=O)[C@@H]1CC[N@H+](CCOCC[NH+]2CC[C@H](S(N)(=O)=O)C2)C1 ZINC001116455533 792686235 /nfs/dbraw/zinc/68/62/35/792686235.db2.gz BRKVGXNMPUUBAA-TXEJJXNPSA-N 2 2 370.497 -2.271 20 0 FAADLP NS(=O)(=O)[C@@H]1CC[N@@H+](CCOCC[NH+]2CC[C@H](S(N)(=O)=O)C2)C1 ZINC001116455533 792686230 /nfs/dbraw/zinc/68/62/30/792686230.db2.gz BRKVGXNMPUUBAA-TXEJJXNPSA-N 2 2 370.497 -2.271 20 0 FAADLP NS(=O)(=O)[C@@H]1CC[NH+](CCOCC[N@@H+]2CC[C@H](S(N)(=O)=O)C2)C1 ZINC001116455533 792686227 /nfs/dbraw/zinc/68/62/27/792686227.db2.gz BRKVGXNMPUUBAA-TXEJJXNPSA-N 2 2 370.497 -2.271 20 0 FAADLP NS(=O)(=O)[C@@H]1CC[NH+](CCOCC[N@H+]2CC[C@H](S(N)(=O)=O)C2)C1 ZINC001116455533 792686223 /nfs/dbraw/zinc/68/62/23/792686223.db2.gz BRKVGXNMPUUBAA-TXEJJXNPSA-N 2 2 370.497 -2.271 20 0 FAADLP NS(=O)(=O)[C@@H]1CC[NH+](CCOCC[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)C1 ZINC001116455534 792686089 /nfs/dbraw/zinc/68/60/89/792686089.db2.gz BRKVGXNMPUUBAA-VXGBXAGGSA-N 2 2 370.497 -2.271 20 0 FAADLP NS(=O)(=O)[C@@H]1CC[NH+](CCOCC[N@H+]2CC[C@@H](S(N)(=O)=O)C2)C1 ZINC001116455534 792686086 /nfs/dbraw/zinc/68/60/86/792686086.db2.gz BRKVGXNMPUUBAA-VXGBXAGGSA-N 2 2 370.497 -2.271 20 0 FAADLP CN(CCNC(=O)CN1CC[NH+](C)CC1)C(=O)CN1CC[NH+](C)CC1 ZINC001116725622 792692968 /nfs/dbraw/zinc/69/29/68/792692968.db2.gz QBDYWCTXYDNTQX-UHFFFAOYSA-N 2 2 354.499 -1.944 20 0 FAADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NCCn2cc[nH+]c2)CC1 ZINC001116990531 792700256 /nfs/dbraw/zinc/70/02/56/792700256.db2.gz DJBCDUDGXCRNOM-UHFFFAOYSA-N 2 2 350.423 -1.332 20 0 FAADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC001117022505 792701030 /nfs/dbraw/zinc/70/10/30/792701030.db2.gz KAZRSHRUQVOMHK-HNNXBMFYSA-N 2 2 355.483 -1.423 20 0 FAADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC001117022505 792701024 /nfs/dbraw/zinc/70/10/24/792701024.db2.gz KAZRSHRUQVOMHK-HNNXBMFYSA-N 2 2 355.483 -1.423 20 0 FAADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC001117022506 792700935 /nfs/dbraw/zinc/70/09/35/792700935.db2.gz KAZRSHRUQVOMHK-OAHLLOKOSA-N 2 2 355.483 -1.423 20 0 FAADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC001117022506 792700931 /nfs/dbraw/zinc/70/09/31/792700931.db2.gz KAZRSHRUQVOMHK-OAHLLOKOSA-N 2 2 355.483 -1.423 20 0 FAADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCn1cncn1 ZINC001117265685 792711611 /nfs/dbraw/zinc/71/16/11/792711611.db2.gz BCROCGRMOUTRNR-UHFFFAOYSA-N 2 2 351.455 -1.121 20 0 FAADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCn1cncn1 ZINC001117265685 792711606 /nfs/dbraw/zinc/71/16/06/792711606.db2.gz BCROCGRMOUTRNR-UHFFFAOYSA-N 2 2 351.455 -1.121 20 0 FAADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)n1C ZINC001117313087 792715611 /nfs/dbraw/zinc/71/56/11/792715611.db2.gz FJWXAPKLISNPHF-CYBMUJFWSA-N 2 2 351.455 -1.536 20 0 FAADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)n1C ZINC001117313087 792715603 /nfs/dbraw/zinc/71/56/03/792715603.db2.gz FJWXAPKLISNPHF-CYBMUJFWSA-N 2 2 351.455 -1.536 20 0 FAADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)n1C ZINC001117313094 792715428 /nfs/dbraw/zinc/71/54/28/792715428.db2.gz FJWXAPKLISNPHF-ZDUSSCGKSA-N 2 2 351.455 -1.536 20 0 FAADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)n1C ZINC001117313094 792715418 /nfs/dbraw/zinc/71/54/18/792715418.db2.gz FJWXAPKLISNPHF-ZDUSSCGKSA-N 2 2 351.455 -1.536 20 0 FAADLP CC(=O)NCCCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001117326052 792717431 /nfs/dbraw/zinc/71/74/31/792717431.db2.gz NNLBQJSYAIDCQK-AWEZNQCLSA-N 2 2 353.467 -1.087 20 0 FAADLP CC(=O)NCCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001117326052 792717423 /nfs/dbraw/zinc/71/74/23/792717423.db2.gz NNLBQJSYAIDCQK-AWEZNQCLSA-N 2 2 353.467 -1.087 20 0 FAADLP CC(=O)NCCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001117326053 792717398 /nfs/dbraw/zinc/71/73/98/792717398.db2.gz NNLBQJSYAIDCQK-CQSZACIVSA-N 2 2 353.467 -1.087 20 0 FAADLP CC(=O)NCCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001117326053 792717392 /nfs/dbraw/zinc/71/73/92/792717392.db2.gz NNLBQJSYAIDCQK-CQSZACIVSA-N 2 2 353.467 -1.087 20 0 FAADLP CN(C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCNC1=O ZINC001117367993 792722666 /nfs/dbraw/zinc/72/26/66/792722666.db2.gz BGSZRUOVGXFRIS-GXTWGEPZSA-N 2 2 351.451 -1.382 20 0 FAADLP CN(C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCNC1=O ZINC001117367993 792722662 /nfs/dbraw/zinc/72/26/62/792722662.db2.gz BGSZRUOVGXFRIS-GXTWGEPZSA-N 2 2 351.451 -1.382 20 0 FAADLP CN(C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCNC1=O ZINC001117367994 792722707 /nfs/dbraw/zinc/72/27/07/792722707.db2.gz BGSZRUOVGXFRIS-JSGCOSHPSA-N 2 2 351.451 -1.382 20 0 FAADLP CN(C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCNC1=O ZINC001117367994 792722704 /nfs/dbraw/zinc/72/27/04/792722704.db2.gz BGSZRUOVGXFRIS-JSGCOSHPSA-N 2 2 351.451 -1.382 20 0 FAADLP CN(C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCNC1=O ZINC001117367995 792722597 /nfs/dbraw/zinc/72/25/97/792722597.db2.gz BGSZRUOVGXFRIS-OCCSQVGLSA-N 2 2 351.451 -1.382 20 0 FAADLP CN(C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCNC1=O ZINC001117367995 792722587 /nfs/dbraw/zinc/72/25/87/792722587.db2.gz BGSZRUOVGXFRIS-OCCSQVGLSA-N 2 2 351.451 -1.382 20 0 FAADLP CN(C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCNC1=O ZINC001117367996 792722458 /nfs/dbraw/zinc/72/24/58/792722458.db2.gz BGSZRUOVGXFRIS-TZMCWYRMSA-N 2 2 351.451 -1.382 20 0 FAADLP CN(C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCNC1=O ZINC001117367996 792722449 /nfs/dbraw/zinc/72/24/49/792722449.db2.gz BGSZRUOVGXFRIS-TZMCWYRMSA-N 2 2 351.451 -1.382 20 0 FAADLP Cn1c2ncn(CC[NH+]3CCC([NH2+]CCO)CC3)c2c(=O)n(C)c1=O ZINC001118994289 792801803 /nfs/dbraw/zinc/80/18/03/792801803.db2.gz SPSIRDRRCWAVMN-UHFFFAOYSA-N 2 2 350.423 -1.520 20 0 FAADLP CC(=O)NCC(=O)N1CCC[N@H+](CC(=O)NC2CC[NH+](C)CC2)CC1 ZINC001119260206 792808565 /nfs/dbraw/zinc/80/85/65/792808565.db2.gz ZWSAWJMHQJBBKS-UHFFFAOYSA-N 2 2 353.467 -1.133 20 0 FAADLP CC(=O)NCC(=O)N1CCC[N@@H+](CC(=O)NC2CC[NH+](C)CC2)CC1 ZINC001119260206 792808550 /nfs/dbraw/zinc/80/85/50/792808550.db2.gz ZWSAWJMHQJBBKS-UHFFFAOYSA-N 2 2 353.467 -1.133 20 0 FAADLP C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@@H](C)N2CC[NH2+]CC2=O)CC1 ZINC001119297435 792809220 /nfs/dbraw/zinc/80/92/20/792809220.db2.gz LMTOGWOXHDUKPZ-CYBMUJFWSA-N 2 2 353.467 -1.087 20 0 FAADLP C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@H](C)N2CC[NH2+]CC2=O)CC1 ZINC001119297437 792808824 /nfs/dbraw/zinc/80/88/24/792808824.db2.gz LMTOGWOXHDUKPZ-ZDUSSCGKSA-N 2 2 353.467 -1.087 20 0 FAADLP O=C(NCC1([NH+]2CCOCC2)CCOCC1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001119409753 792809797 /nfs/dbraw/zinc/80/97/97/792809797.db2.gz QFCWJHITOBQGTO-KBPBESRZSA-N 2 2 352.435 -1.443 20 0 FAADLP C[NH+]1CC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001119724166 792814045 /nfs/dbraw/zinc/81/40/45/792814045.db2.gz SSNKCLFXHHZKGX-CABCVRRESA-N 2 2 353.467 -1.671 20 0 FAADLP C[NH+]1CC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001119724166 792814032 /nfs/dbraw/zinc/81/40/32/792814032.db2.gz SSNKCLFXHHZKGX-CABCVRRESA-N 2 2 353.467 -1.671 20 0 FAADLP C[N@H+]1CC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC001119724166 792814019 /nfs/dbraw/zinc/81/40/19/792814019.db2.gz SSNKCLFXHHZKGX-CABCVRRESA-N 2 2 353.467 -1.671 20 0 FAADLP C[NH+]1CC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001119724168 792813560 /nfs/dbraw/zinc/81/35/60/792813560.db2.gz SSNKCLFXHHZKGX-GJZGRUSLSA-N 2 2 353.467 -1.671 20 0 FAADLP C[NH+]1CC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001119724168 792813549 /nfs/dbraw/zinc/81/35/49/792813549.db2.gz SSNKCLFXHHZKGX-GJZGRUSLSA-N 2 2 353.467 -1.671 20 0 FAADLP C[N@H+]1CC[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC001119724168 792813536 /nfs/dbraw/zinc/81/35/36/792813536.db2.gz SSNKCLFXHHZKGX-GJZGRUSLSA-N 2 2 353.467 -1.671 20 0 FAADLP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001119724169 792813744 /nfs/dbraw/zinc/81/37/44/792813744.db2.gz SSNKCLFXHHZKGX-HUUCEWRRSA-N 2 2 353.467 -1.671 20 0 FAADLP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001119724169 792813731 /nfs/dbraw/zinc/81/37/31/792813731.db2.gz SSNKCLFXHHZKGX-HUUCEWRRSA-N 2 2 353.467 -1.671 20 0 FAADLP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC001119724169 792813716 /nfs/dbraw/zinc/81/37/16/792813716.db2.gz SSNKCLFXHHZKGX-HUUCEWRRSA-N 2 2 353.467 -1.671 20 0 FAADLP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001119724171 792814264 /nfs/dbraw/zinc/81/42/64/792814264.db2.gz SSNKCLFXHHZKGX-LSDHHAIUSA-N 2 2 353.467 -1.671 20 0 FAADLP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001119724171 792814251 /nfs/dbraw/zinc/81/42/51/792814251.db2.gz SSNKCLFXHHZKGX-LSDHHAIUSA-N 2 2 353.467 -1.671 20 0 FAADLP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC001119724171 792814237 /nfs/dbraw/zinc/81/42/37/792814237.db2.gz SSNKCLFXHHZKGX-LSDHHAIUSA-N 2 2 353.467 -1.671 20 0 FAADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CC4(C3)NC(=O)NC4=O)C2)CC1 ZINC001120032952 792816533 /nfs/dbraw/zinc/81/65/33/792816533.db2.gz LDXKYSWZVGKOHW-LLVKDONJSA-N 2 2 350.423 -1.242 20 0 FAADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC4(C3)NC(=O)NC4=O)C2)CC1 ZINC001120032952 792816521 /nfs/dbraw/zinc/81/65/21/792816521.db2.gz LDXKYSWZVGKOHW-LLVKDONJSA-N 2 2 350.423 -1.242 20 0 FAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC4(C3)NC(=O)NC4=O)C2)CC1 ZINC001120032953 792816869 /nfs/dbraw/zinc/81/68/69/792816869.db2.gz LDXKYSWZVGKOHW-NSHDSACASA-N 2 2 350.423 -1.242 20 0 FAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC4(C3)NC(=O)NC4=O)C2)CC1 ZINC001120032953 792816856 /nfs/dbraw/zinc/81/68/56/792816856.db2.gz LDXKYSWZVGKOHW-NSHDSACASA-N 2 2 350.423 -1.242 20 0 FAADLP C[C@@H]1C[NH2+]C[C@H]1NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001120644396 792825768 /nfs/dbraw/zinc/82/57/68/792825768.db2.gz GFIZUTRDZUFKBM-ZIAGYGMSSA-N 2 2 374.511 -1.586 20 0 FAADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1 ZINC001122025746 792829010 /nfs/dbraw/zinc/82/90/10/792829010.db2.gz GKJDWSAGLZQPSB-CYBMUJFWSA-N 2 2 351.451 -1.523 20 0 FAADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1 ZINC001122025746 792828998 /nfs/dbraw/zinc/82/89/98/792828998.db2.gz GKJDWSAGLZQPSB-CYBMUJFWSA-N 2 2 351.451 -1.523 20 0 FAADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1 ZINC001122025747 792828223 /nfs/dbraw/zinc/82/82/23/792828223.db2.gz GKJDWSAGLZQPSB-ZDUSSCGKSA-N 2 2 351.451 -1.523 20 0 FAADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1 ZINC001122025747 792828211 /nfs/dbraw/zinc/82/82/11/792828211.db2.gz GKJDWSAGLZQPSB-ZDUSSCGKSA-N 2 2 351.451 -1.523 20 0 FAADLP O=C(N[C@@H]1COC2(C[NH2+]C2)C1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001122142184 792828292 /nfs/dbraw/zinc/82/82/92/792828292.db2.gz KNHKNNJDCFVODI-KBPBESRZSA-N 2 2 352.435 -1.586 20 0 FAADLP O=C(N[C@@H]1COC2(C[NH2+]C2)C1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001122142185 792828984 /nfs/dbraw/zinc/82/89/84/792828984.db2.gz KNHKNNJDCFVODI-KGLIPLIRSA-N 2 2 352.435 -1.586 20 0 FAADLP O=C(N[C@H]1COC2(C[NH2+]C2)C1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001122142186 792828361 /nfs/dbraw/zinc/82/83/61/792828361.db2.gz KNHKNNJDCFVODI-UONOGXRCSA-N 2 2 352.435 -1.586 20 0 FAADLP O=C(N[C@H]1COC2(C[NH2+]C2)C1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001122142187 792828319 /nfs/dbraw/zinc/82/83/19/792828319.db2.gz KNHKNNJDCFVODI-ZIAGYGMSSA-N 2 2 352.435 -1.586 20 0 FAADLP O=C([C@@H]1C[NH2+]CCO1)N1CC[NH2+]CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC001122180157 792828579 /nfs/dbraw/zinc/82/85/79/792828579.db2.gz OMJRTMWHRTVLLH-KBPBESRZSA-N 3 2 355.439 -2.776 20 0 FAADLP O=C([C@H]1C[NH2+]CCO1)N1CC[NH2+]CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC001122180158 792828381 /nfs/dbraw/zinc/82/83/81/792828381.db2.gz OMJRTMWHRTVLLH-OKILXGFUSA-N 3 2 355.439 -2.776 20 0 FAADLP O=C([C@H]1C[NH2+]CCO1)N1CC[NH2+]CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC001122180159 792828680 /nfs/dbraw/zinc/82/86/80/792828680.db2.gz OMJRTMWHRTVLLH-ZIAGYGMSSA-N 3 2 355.439 -2.776 20 0 FAADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1n1ccnn1 ZINC001128830368 790556247 /nfs/dbraw/zinc/55/62/47/790556247.db2.gz QQXMPDMZSHFPON-ILXRZTDVSA-N 2 2 352.439 -1.277 20 0 FAADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1n1ccnn1 ZINC001128830368 790556239 /nfs/dbraw/zinc/55/62/39/790556239.db2.gz QQXMPDMZSHFPON-ILXRZTDVSA-N 2 2 352.439 -1.277 20 0 FAADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCCO)C[C@@H]1n1ccnn1 ZINC001128830368 790556231 /nfs/dbraw/zinc/55/62/31/790556231.db2.gz QQXMPDMZSHFPON-ILXRZTDVSA-N 2 2 352.439 -1.277 20 0 FAADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCCO)C[C@@H]1n1ccnn1 ZINC001128830368 790556221 /nfs/dbraw/zinc/55/62/21/790556221.db2.gz QQXMPDMZSHFPON-ILXRZTDVSA-N 2 2 352.439 -1.277 20 0 FAADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1n1ccnn1 ZINC001128830369 790556308 /nfs/dbraw/zinc/55/63/08/790556308.db2.gz QQXMPDMZSHFPON-KFWWJZLASA-N 2 2 352.439 -1.277 20 0 FAADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1n1ccnn1 ZINC001128830369 790556303 /nfs/dbraw/zinc/55/63/03/790556303.db2.gz QQXMPDMZSHFPON-KFWWJZLASA-N 2 2 352.439 -1.277 20 0 FAADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCCO)C[C@@H]1n1ccnn1 ZINC001128830369 790556291 /nfs/dbraw/zinc/55/62/91/790556291.db2.gz QQXMPDMZSHFPON-KFWWJZLASA-N 2 2 352.439 -1.277 20 0 FAADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCCO)C[C@@H]1n1ccnn1 ZINC001128830369 790556281 /nfs/dbraw/zinc/55/62/81/790556281.db2.gz QQXMPDMZSHFPON-KFWWJZLASA-N 2 2 352.439 -1.277 20 0 FAADLP CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851263 790557567 /nfs/dbraw/zinc/55/75/67/790557567.db2.gz FPPYTWBQJCWBEQ-ILXRZTDVSA-N 2 2 352.439 -1.013 20 0 FAADLP CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851263 790557560 /nfs/dbraw/zinc/55/75/60/790557560.db2.gz FPPYTWBQJCWBEQ-ILXRZTDVSA-N 2 2 352.439 -1.013 20 0 FAADLP CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851263 790557556 /nfs/dbraw/zinc/55/75/56/790557556.db2.gz FPPYTWBQJCWBEQ-ILXRZTDVSA-N 2 2 352.439 -1.013 20 0 FAADLP CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851263 790557553 /nfs/dbraw/zinc/55/75/53/790557553.db2.gz FPPYTWBQJCWBEQ-ILXRZTDVSA-N 2 2 352.439 -1.013 20 0 FAADLP CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851264 790557244 /nfs/dbraw/zinc/55/72/44/790557244.db2.gz FPPYTWBQJCWBEQ-QLFBSQMISA-N 2 2 352.439 -1.013 20 0 FAADLP CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851264 790557240 /nfs/dbraw/zinc/55/72/40/790557240.db2.gz FPPYTWBQJCWBEQ-QLFBSQMISA-N 2 2 352.439 -1.013 20 0 FAADLP CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851264 790557236 /nfs/dbraw/zinc/55/72/36/790557236.db2.gz FPPYTWBQJCWBEQ-QLFBSQMISA-N 2 2 352.439 -1.013 20 0 FAADLP CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851264 790557232 /nfs/dbraw/zinc/55/72/32/790557232.db2.gz FPPYTWBQJCWBEQ-QLFBSQMISA-N 2 2 352.439 -1.013 20 0 FAADLP COCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851435 790557382 /nfs/dbraw/zinc/55/73/82/790557382.db2.gz MYRSTRYRKNHJPN-ILXRZTDVSA-N 2 2 352.439 -1.013 20 0 FAADLP COCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851435 790557377 /nfs/dbraw/zinc/55/73/77/790557377.db2.gz MYRSTRYRKNHJPN-ILXRZTDVSA-N 2 2 352.439 -1.013 20 0 FAADLP COCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851435 790557371 /nfs/dbraw/zinc/55/73/71/790557371.db2.gz MYRSTRYRKNHJPN-ILXRZTDVSA-N 2 2 352.439 -1.013 20 0 FAADLP COCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851435 790557364 /nfs/dbraw/zinc/55/73/64/790557364.db2.gz MYRSTRYRKNHJPN-ILXRZTDVSA-N 2 2 352.439 -1.013 20 0 FAADLP COCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851436 790557294 /nfs/dbraw/zinc/55/72/94/790557294.db2.gz MYRSTRYRKNHJPN-QLFBSQMISA-N 2 2 352.439 -1.013 20 0 FAADLP COCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851436 790557290 /nfs/dbraw/zinc/55/72/90/790557290.db2.gz MYRSTRYRKNHJPN-QLFBSQMISA-N 2 2 352.439 -1.013 20 0 FAADLP COCCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851436 790557286 /nfs/dbraw/zinc/55/72/86/790557286.db2.gz MYRSTRYRKNHJPN-QLFBSQMISA-N 2 2 352.439 -1.013 20 0 FAADLP COCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851436 790557282 /nfs/dbraw/zinc/55/72/82/790557282.db2.gz MYRSTRYRKNHJPN-QLFBSQMISA-N 2 2 352.439 -1.013 20 0 FAADLP COC[C@H](O)C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001129147545 790569016 /nfs/dbraw/zinc/56/90/16/790569016.db2.gz FDTFPXJEXDAYBJ-TUVASFSCSA-N 2 2 352.439 -1.279 20 0 FAADLP COC[C@H](O)C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001129147545 790569013 /nfs/dbraw/zinc/56/90/13/790569013.db2.gz FDTFPXJEXDAYBJ-TUVASFSCSA-N 2 2 352.439 -1.279 20 0 FAADLP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001129147545 790569006 /nfs/dbraw/zinc/56/90/06/790569006.db2.gz FDTFPXJEXDAYBJ-TUVASFSCSA-N 2 2 352.439 -1.279 20 0 FAADLP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001129147545 790568999 /nfs/dbraw/zinc/56/89/99/790568999.db2.gz FDTFPXJEXDAYBJ-TUVASFSCSA-N 2 2 352.439 -1.279 20 0 FAADLP COC[C@@H](O)C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001129147546 790568868 /nfs/dbraw/zinc/56/88/68/790568868.db2.gz FDTFPXJEXDAYBJ-YJNKXOJESA-N 2 2 352.439 -1.279 20 0 FAADLP COC[C@@H](O)C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001129147546 790568857 /nfs/dbraw/zinc/56/88/57/790568857.db2.gz FDTFPXJEXDAYBJ-YJNKXOJESA-N 2 2 352.439 -1.279 20 0 FAADLP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001129147546 790568846 /nfs/dbraw/zinc/56/88/46/790568846.db2.gz FDTFPXJEXDAYBJ-YJNKXOJESA-N 2 2 352.439 -1.279 20 0 FAADLP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001129147546 790568835 /nfs/dbraw/zinc/56/88/35/790568835.db2.gz FDTFPXJEXDAYBJ-YJNKXOJESA-N 2 2 352.439 -1.279 20 0 FAADLP COCC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129321235 790657191 /nfs/dbraw/zinc/65/71/91/790657191.db2.gz ITXSOSZMHLKTCT-CABCVRRESA-N 2 2 352.439 -1.012 20 0 FAADLP COCC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129321235 790657183 /nfs/dbraw/zinc/65/71/83/790657183.db2.gz ITXSOSZMHLKTCT-CABCVRRESA-N 2 2 352.439 -1.012 20 0 FAADLP C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129321350 790659080 /nfs/dbraw/zinc/65/90/80/790659080.db2.gz KQZIJWIGDVOZCK-KFWWJZLASA-N 2 2 352.439 -1.277 20 0 FAADLP C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129321350 790659072 /nfs/dbraw/zinc/65/90/72/790659072.db2.gz KQZIJWIGDVOZCK-KFWWJZLASA-N 2 2 352.439 -1.277 20 0 FAADLP C[C@H](O)C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129321351 790659042 /nfs/dbraw/zinc/65/90/42/790659042.db2.gz KQZIJWIGDVOZCK-ZNMIVQPWSA-N 2 2 352.439 -1.277 20 0 FAADLP C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129321351 790659035 /nfs/dbraw/zinc/65/90/35/790659035.db2.gz KQZIJWIGDVOZCK-ZNMIVQPWSA-N 2 2 352.439 -1.277 20 0 FAADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001129322726 790660592 /nfs/dbraw/zinc/66/05/92/790660592.db2.gz WNXYNCVKNORBJM-CABCVRRESA-N 2 2 352.439 -1.276 20 0 FAADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001129322726 790660586 /nfs/dbraw/zinc/66/05/86/790660586.db2.gz WNXYNCVKNORBJM-CABCVRRESA-N 2 2 352.439 -1.276 20 0 FAADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1n1ccnn1 ZINC001129433468 790759070 /nfs/dbraw/zinc/75/90/70/790759070.db2.gz AZRQUGIWURATFG-CABCVRRESA-N 2 2 352.439 -1.276 20 0 FAADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1n1ccnn1 ZINC001129433468 790759065 /nfs/dbraw/zinc/75/90/65/790759065.db2.gz AZRQUGIWURATFG-CABCVRRESA-N 2 2 352.439 -1.276 20 0 FAADLP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129433716 790758844 /nfs/dbraw/zinc/75/88/44/790758844.db2.gz OBGOIWGYCIOCNC-KFWWJZLASA-N 2 2 352.439 -1.277 20 0 FAADLP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129433716 790758838 /nfs/dbraw/zinc/75/88/38/790758838.db2.gz OBGOIWGYCIOCNC-KFWWJZLASA-N 2 2 352.439 -1.277 20 0 FAADLP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129433717 790759509 /nfs/dbraw/zinc/75/95/09/790759509.db2.gz OBGOIWGYCIOCNC-ZNMIVQPWSA-N 2 2 352.439 -1.277 20 0 FAADLP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129433717 790759501 /nfs/dbraw/zinc/75/95/01/790759501.db2.gz OBGOIWGYCIOCNC-ZNMIVQPWSA-N 2 2 352.439 -1.277 20 0 FAADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129433801 790759568 /nfs/dbraw/zinc/75/95/68/790759568.db2.gz SOBLFDDSRFFOOF-KFWWJZLASA-N 2 2 352.439 -1.420 20 0 FAADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129433801 790759559 /nfs/dbraw/zinc/75/95/59/790759559.db2.gz SOBLFDDSRFFOOF-KFWWJZLASA-N 2 2 352.439 -1.420 20 0 FAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129433802 790759311 /nfs/dbraw/zinc/75/93/11/790759311.db2.gz SOBLFDDSRFFOOF-ZNMIVQPWSA-N 2 2 352.439 -1.420 20 0 FAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129433802 790759300 /nfs/dbraw/zinc/75/93/00/790759300.db2.gz SOBLFDDSRFFOOF-ZNMIVQPWSA-N 2 2 352.439 -1.420 20 0 FAADLP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCS(C)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129684737 790769160 /nfs/dbraw/zinc/76/91/60/790769160.db2.gz JLPGWVYKVXSKLR-MCIONIFRSA-N 2 2 370.479 -1.242 20 0 FAADLP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCS(C)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129684737 790769151 /nfs/dbraw/zinc/76/91/51/790769151.db2.gz JLPGWVYKVXSKLR-MCIONIFRSA-N 2 2 370.479 -1.242 20 0 FAADLP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCS(C)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129684740 790768913 /nfs/dbraw/zinc/76/89/13/790768913.db2.gz JLPGWVYKVXSKLR-RDBSUJKOSA-N 2 2 370.479 -1.242 20 0 FAADLP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCS(C)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129684740 790768911 /nfs/dbraw/zinc/76/89/11/790768911.db2.gz JLPGWVYKVXSKLR-RDBSUJKOSA-N 2 2 370.479 -1.242 20 0 FAADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001129717056 790771673 /nfs/dbraw/zinc/77/16/73/790771673.db2.gz DLHSFEFASIXFCI-AGIUHOORSA-N 2 2 351.411 -2.304 20 0 FAADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001129717056 790771666 /nfs/dbraw/zinc/77/16/66/790771666.db2.gz DLHSFEFASIXFCI-AGIUHOORSA-N 2 2 351.411 -2.304 20 0 FAADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001129717059 790771876 /nfs/dbraw/zinc/77/18/76/790771876.db2.gz DLHSFEFASIXFCI-FRRDWIJNSA-N 2 2 351.411 -2.304 20 0 FAADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001129717059 790771867 /nfs/dbraw/zinc/77/18/67/790771867.db2.gz DLHSFEFASIXFCI-FRRDWIJNSA-N 2 2 351.411 -2.304 20 0 FAADLP CS(=O)(=O)CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001130020505 790787198 /nfs/dbraw/zinc/78/71/98/790787198.db2.gz JVMARALLSANSBB-OLZOCXBDSA-N 2 2 367.435 -1.370 20 0 FAADLP CS(=O)(=O)CC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001130125360 790792246 /nfs/dbraw/zinc/79/22/46/790792246.db2.gz JHBRLFNGZSVRDL-KGLIPLIRSA-N 2 2 370.479 -1.240 20 0 FAADLP CS(=O)(=O)CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001130151359 790795142 /nfs/dbraw/zinc/79/51/42/790795142.db2.gz NOMKTONQGZKQAP-OLZOCXBDSA-N 2 2 367.435 -1.439 20 0 FAADLP C[N@H+]1CCC[C@H]1C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCO)[nH]1 ZINC001130193042 790798477 /nfs/dbraw/zinc/79/84/77/790798477.db2.gz GKPDEVCALUHVOR-AVGNSLFASA-N 2 2 352.439 -1.031 20 0 FAADLP C[N@@H+]1CCC[C@H]1C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCO)[nH]1 ZINC001130193042 790798473 /nfs/dbraw/zinc/79/84/73/790798473.db2.gz GKPDEVCALUHVOR-AVGNSLFASA-N 2 2 352.439 -1.031 20 0 FAADLP C[N@H+]1CCC[C@H]1C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCO)n[nH]1 ZINC001130193042 790798467 /nfs/dbraw/zinc/79/84/67/790798467.db2.gz GKPDEVCALUHVOR-AVGNSLFASA-N 2 2 352.439 -1.031 20 0 FAADLP C[N@@H+]1CCC[C@H]1C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCO)n[nH]1 ZINC001130193042 790798463 /nfs/dbraw/zinc/79/84/63/790798463.db2.gz GKPDEVCALUHVOR-AVGNSLFASA-N 2 2 352.439 -1.031 20 0 FAADLP C[N@H+]1CCC[C@@H]1C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCO)[nH]1 ZINC001130193043 790797800 /nfs/dbraw/zinc/79/78/00/790797800.db2.gz GKPDEVCALUHVOR-XQQFMLRXSA-N 2 2 352.439 -1.031 20 0 FAADLP C[N@@H+]1CCC[C@@H]1C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCO)[nH]1 ZINC001130193043 790797792 /nfs/dbraw/zinc/79/77/92/790797792.db2.gz GKPDEVCALUHVOR-XQQFMLRXSA-N 2 2 352.439 -1.031 20 0 FAADLP C[N@H+]1CCC[C@@H]1C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCO)n[nH]1 ZINC001130193043 790797783 /nfs/dbraw/zinc/79/77/83/790797783.db2.gz GKPDEVCALUHVOR-XQQFMLRXSA-N 2 2 352.439 -1.031 20 0 FAADLP C[N@@H+]1CCC[C@@H]1C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCO)n[nH]1 ZINC001130193043 790797776 /nfs/dbraw/zinc/79/77/76/790797776.db2.gz GKPDEVCALUHVOR-XQQFMLRXSA-N 2 2 352.439 -1.031 20 0 FAADLP C[NH+](C)CCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)n1 ZINC001130234757 790803492 /nfs/dbraw/zinc/80/34/92/790803492.db2.gz JWAXSLDUKPQVTI-QWRGUYRKSA-N 2 2 353.427 -1.680 20 0 FAADLP O=C(C[NH+]1CCCC1)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCO)[nH]1 ZINC001130249131 790805901 /nfs/dbraw/zinc/80/59/01/790805901.db2.gz LELPUHCTIVOBOG-STQMWFEESA-N 2 2 352.439 -1.029 20 0 FAADLP O=C(C[NH+]1CCCC1)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCO)n[nH]1 ZINC001130249131 790805884 /nfs/dbraw/zinc/80/58/84/790805884.db2.gz LELPUHCTIVOBOG-STQMWFEESA-N 2 2 352.439 -1.029 20 0 FAADLP C[NH+](C)CCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC(N)=O)O2)n[nH]1 ZINC001130802132 790816833 /nfs/dbraw/zinc/81/68/33/790816833.db2.gz DHHJNIQWZMPTDC-WDEREUQCSA-N 2 2 353.427 -1.332 20 0 FAADLP O=C(C[NH2+]CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCC1 ZINC001131610858 790829374 /nfs/dbraw/zinc/82/93/74/790829374.db2.gz LOLQWAHDVPZKHO-CABCVRRESA-N 2 2 354.451 -1.196 20 0 FAADLP Cn1nncc1C[NH2+]CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131610933 790829206 /nfs/dbraw/zinc/82/92/06/790829206.db2.gz ONRNWOVFZDOXKD-CABCVRRESA-N 2 2 352.439 -1.099 20 0 FAADLP O=C(C[NH2+]CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)NC1CC1 ZINC001131613516 790828994 /nfs/dbraw/zinc/82/89/94/790828994.db2.gz DJOZARBZAMZCAL-CABCVRRESA-N 2 2 354.451 -1.149 20 0 FAADLP CN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1=O ZINC001131613540 790828648 /nfs/dbraw/zinc/82/86/48/790828648.db2.gz FGNPMFKEDZMCSV-ILXRZTDVSA-N 2 2 354.451 -1.197 20 0 FAADLP CN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1=O ZINC001131613541 790828692 /nfs/dbraw/zinc/82/86/92/790828692.db2.gz FGNPMFKEDZMCSV-KFWWJZLASA-N 2 2 354.451 -1.197 20 0 FAADLP O=C(NCC[NH2+][C@H]1CCCNC1=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131613659 790828310 /nfs/dbraw/zinc/82/83/10/790828310.db2.gz JHKWWGXMIKKRFG-ILXRZTDVSA-N 2 2 354.451 -1.149 20 0 FAADLP O=C(NCC[NH2+][C@@H]1CCCNC1=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131613660 790828410 /nfs/dbraw/zinc/82/84/10/790828410.db2.gz JHKWWGXMIKKRFG-KFWWJZLASA-N 2 2 354.451 -1.149 20 0 FAADLP O=C(NCC[NH2+]CCn1cncn1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131613668 790829820 /nfs/dbraw/zinc/82/98/20/790829820.db2.gz JPUTYBROOQPRIP-CABCVRRESA-N 2 2 352.439 -1.136 20 0 FAADLP CS(=O)(=O)CC[NH2+]CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131613988 790829854 /nfs/dbraw/zinc/82/98/54/790829854.db2.gz VAZINZROTWDGPC-KGLIPLIRSA-N 2 2 363.480 -1.383 20 0 FAADLP NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131614093 790830184 /nfs/dbraw/zinc/83/01/84/790830184.db2.gz YFSUEJDEYHONCZ-NEPJUHHUSA-N 2 2 357.411 -2.233 20 0 FAADLP CC(=O)NCC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001142801211 792849216 /nfs/dbraw/zinc/84/92/16/792849216.db2.gz DJBYNEJLJYQRIK-UHFFFAOYSA-N 2 2 353.467 -1.181 20 0 FAADLP CC(=O)NCC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001142801211 792849209 /nfs/dbraw/zinc/84/92/09/792849209.db2.gz DJBYNEJLJYQRIK-UHFFFAOYSA-N 2 2 353.467 -1.181 20 0 FAADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)CCC(N)=O)CC2)C1=O ZINC001142950720 792848663 /nfs/dbraw/zinc/84/86/63/792848663.db2.gz GPKKPZCQXZLUEN-UHFFFAOYSA-N 2 2 353.467 -1.051 20 0 FAADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)CCC(N)=O)CC2)C1=O ZINC001142950720 792848650 /nfs/dbraw/zinc/84/86/50/792848650.db2.gz GPKKPZCQXZLUEN-UHFFFAOYSA-N 2 2 353.467 -1.051 20 0 FAADLP CN(C)C(=O)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001143269236 790570090 /nfs/dbraw/zinc/57/00/90/790570090.db2.gz LFFBXXPWDMSYEM-UHFFFAOYSA-N 2 2 353.467 -1.229 20 0 FAADLP CN(C)C(=O)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001143269236 790570082 /nfs/dbraw/zinc/57/00/82/790570082.db2.gz LFFBXXPWDMSYEM-UHFFFAOYSA-N 2 2 353.467 -1.229 20 0 FAADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)CN(C)C(N)=[NH2+])C2)C1 ZINC001144130907 790865477 /nfs/dbraw/zinc/86/54/77/790865477.db2.gz QVWXNHAVNDTRIH-INIZCTEOSA-N 2 2 354.455 -1.501 20 0 FAADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)CN(C)C(N)=[NH2+])C2)C1 ZINC001144130907 790865462 /nfs/dbraw/zinc/86/54/62/790865462.db2.gz QVWXNHAVNDTRIH-INIZCTEOSA-N 2 2 354.455 -1.501 20 0 FAADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)CN(C)C(N)=[NH2+])C2)C1 ZINC001144130909 790865680 /nfs/dbraw/zinc/86/56/80/790865680.db2.gz QVWXNHAVNDTRIH-MRXNPFEDSA-N 2 2 354.455 -1.501 20 0 FAADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)CN(C)C(N)=[NH2+])C2)C1 ZINC001144130909 790865666 /nfs/dbraw/zinc/86/56/66/790865666.db2.gz QVWXNHAVNDTRIH-MRXNPFEDSA-N 2 2 354.455 -1.501 20 0 FAADLP 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CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[N@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001157998482 792879058 /nfs/dbraw/zinc/87/90/58/792879058.db2.gz GBZWHEOTNKDQIK-KBPBESRZSA-N 3 2 354.451 -1.197 20 0 FAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]1C[N@@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001157998483 792878472 /nfs/dbraw/zinc/87/84/72/792878472.db2.gz GBZWHEOTNKDQIK-KGLIPLIRSA-N 3 2 354.451 -1.197 20 0 FAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]1C[N@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001157998483 792878460 /nfs/dbraw/zinc/87/84/60/792878460.db2.gz GBZWHEOTNKDQIK-KGLIPLIRSA-N 3 2 354.451 -1.197 20 0 FAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[N@@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001157998484 792878956 /nfs/dbraw/zinc/87/89/56/792878956.db2.gz GBZWHEOTNKDQIK-UONOGXRCSA-N 3 2 354.451 -1.197 20 0 FAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[N@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001157998484 792878952 /nfs/dbraw/zinc/87/89/52/792878952.db2.gz GBZWHEOTNKDQIK-UONOGXRCSA-N 3 2 354.451 -1.197 20 0 FAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@H]1C[N@@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001157998485 792878908 /nfs/dbraw/zinc/87/89/08/792878908.db2.gz GBZWHEOTNKDQIK-ZIAGYGMSSA-N 3 2 354.451 -1.197 20 0 FAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@H]1C[N@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001157998485 792878902 /nfs/dbraw/zinc/87/89/02/792878902.db2.gz GBZWHEOTNKDQIK-ZIAGYGMSSA-N 3 2 354.451 -1.197 20 0 FAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001158006938 792879033 /nfs/dbraw/zinc/87/90/33/792879033.db2.gz NYKBWXYJGKYUQZ-NWDGAFQWSA-N 2 2 358.439 -1.392 20 0 FAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001158006939 792879746 /nfs/dbraw/zinc/87/97/46/792879746.db2.gz NYKBWXYJGKYUQZ-RYUDHWBXSA-N 2 2 358.439 -1.392 20 0 FAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)[NH3+] ZINC001158008049 792879632 /nfs/dbraw/zinc/87/96/32/792879632.db2.gz WXGZSCJZSVZMMJ-SRVKXCTJSA-N 2 2 356.423 -1.339 20 0 FAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)[NH3+] ZINC001158008050 792880129 /nfs/dbraw/zinc/88/01/29/792880129.db2.gz WXGZSCJZSVZMMJ-TUAOUCFPSA-N 2 2 356.423 -1.339 20 0 FAADLP COC(=O)[C@@H]1C[C@H](C(=O)N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)CC[NH2+]1 ZINC001158121483 792880819 /nfs/dbraw/zinc/88/08/19/792880819.db2.gz UXFCECXYUHIHSK-BWACUDIHSA-N 2 2 350.419 -1.534 20 0 FAADLP COC(=O)[C@@H]1C[C@@H](C(=O)N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)CC[NH2+]1 ZINC001158121484 792880953 /nfs/dbraw/zinc/88/09/53/792880953.db2.gz UXFCECXYUHIHSK-NVGCLXPQSA-N 2 2 350.419 -1.534 20 0 FAADLP COC(=O)[C@@H]1C[C@H](C(=O)N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)CC[NH2+]1 ZINC001158121485 792881026 /nfs/dbraw/zinc/88/10/26/792881026.db2.gz UXFCECXYUHIHSK-PEBVRCNWSA-N 2 2 350.419 -1.534 20 0 FAADLP COC(=O)[C@@H]1C[C@@H](C(=O)N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)CC[NH2+]1 ZINC001158121486 792880794 /nfs/dbraw/zinc/88/07/94/792880794.db2.gz UXFCECXYUHIHSK-PRXAMGSTSA-N 2 2 350.419 -1.534 20 0 FAADLP CS(=O)(=O)c1nc2c(c(-n3c[nH+]cc3C[C@@H]([NH3+])CO)n1)CC[NH2+]CC2 ZINC001158203074 792881082 /nfs/dbraw/zinc/88/10/82/792881082.db2.gz DOSSACLRLRSNRE-SNVBAGLBSA-N 3 2 366.447 -1.384 20 0 FAADLP COC(=O)c1cc(S(N)(=O)=O)cnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158209235 792880844 /nfs/dbraw/zinc/88/08/44/792880844.db2.gz MKUQRRCHTUKNTO-MRVPVSSYSA-N 2 2 355.376 -1.437 20 0 FAADLP COC(=O)[C@@H]1C[C@@H](Nc2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)C[NH2+]1 ZINC001158251784 792880465 /nfs/dbraw/zinc/88/04/65/792880465.db2.gz SVJGLLVAHJEGSG-SKDRFNHKSA-N 2 2 369.447 -1.116 20 0 FAADLP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001158734515 792883928 /nfs/dbraw/zinc/88/39/28/792883928.db2.gz AWDFIGISTBTEKF-UHFFFAOYSA-N 3 2 371.463 -1.050 20 0 FAADLP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001158735023 792883369 /nfs/dbraw/zinc/88/33/69/792883369.db2.gz KHCXLKRCBOLOSM-AWEZNQCLSA-N 3 2 371.463 -1.065 20 0 FAADLP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001158735024 792883333 /nfs/dbraw/zinc/88/33/33/792883333.db2.gz KHCXLKRCBOLOSM-CQSZACIVSA-N 3 2 371.463 -1.065 20 0 FAADLP COC(=O)[C@@H]([NH3+])CC(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O ZINC001158735057 792884066 /nfs/dbraw/zinc/88/40/66/792884066.db2.gz LZYYCIHTLISEJL-VIFPVBQESA-N 2 2 360.392 -1.501 20 0 FAADLP COC(=O)[C@@H]([NH3+])CCC(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O ZINC001158735158 792883434 /nfs/dbraw/zinc/88/34/34/792883434.db2.gz PIUMNWNGOXIZIB-JTQLQIEISA-N 2 2 374.419 -1.111 20 0 FAADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2C[C@@H]3COC[C@H](C(=O)N4CCCCO4)[C@@H]3C2)C1 ZINC001158747493 792883553 /nfs/dbraw/zinc/88/35/53/792883553.db2.gz CWLCACSQSHTVKQ-SEBNEYGDSA-N 2 2 352.435 -1.049 20 0 FAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2C[C@@H]3COC[C@H](C(=O)N4CCCCO4)[C@@H]3C2)C1 ZINC001158747494 792884321 /nfs/dbraw/zinc/88/43/21/792884321.db2.gz CWLCACSQSHTVKQ-ZSAUSMIDSA-N 2 2 352.435 -1.049 20 0 FAADLP CN(C)C(=O)COCc1noc2c1CN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])CC2 ZINC001158747651 792883809 /nfs/dbraw/zinc/88/38/09/792883809.db2.gz GHRLLZQCTWYAAO-JQWIXIFHSA-N 2 2 351.407 -1.289 20 0 FAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C(=O)N3CCCCO3)[C@@H]2C1 ZINC001158747948 792884787 /nfs/dbraw/zinc/88/47/87/792884787.db2.gz MYRUSWNGPYSXPN-SEBNEYGDSA-N 2 2 352.435 -1.192 20 0 FAADLP CN(C)C(=O)COCc1noc2c1CN(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)CC2 ZINC001158748065 792884751 /nfs/dbraw/zinc/88/47/51/792884751.db2.gz UMKNJZLOHVOBGF-PWSUYJOCSA-N 2 2 351.407 -1.147 20 0 FAADLP CNC(=O)CO[C@H]1COC2(C1)CCN(C(=O)C1([NH3+])CC[NH2+]CC1)CC2 ZINC001158810628 792884586 /nfs/dbraw/zinc/88/45/86/792884586.db2.gz JNRVWBZYPGUQFV-CYBMUJFWSA-N 2 2 354.451 -1.020 20 0 FAADLP CNC(=O)CO[C@@H]1COC2(C1)CCN(C(=O)C1([NH3+])CC[NH2+]CC1)CC2 ZINC001158810629 792884516 /nfs/dbraw/zinc/88/45/16/792884516.db2.gz JNRVWBZYPGUQFV-ZDUSSCGKSA-N 2 2 354.451 -1.020 20 0 FAADLP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)[C@@H]([NH3+])Cc1nn[nH]n1)CC2 ZINC001158890637 792885523 /nfs/dbraw/zinc/88/55/23/792885523.db2.gz JIAMCWFPLVXCFZ-NSHDSACASA-N 2 2 350.427 -1.728 20 0 FAADLP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@@H]([NH3+])Cc1nn[nH]n1)CC2 ZINC001158890637 792885514 /nfs/dbraw/zinc/88/55/14/792885514.db2.gz JIAMCWFPLVXCFZ-NSHDSACASA-N 2 2 350.427 -1.728 20 0 FAADLP C[NH+]1CCN(c2cccc(N[C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)[nH+]2)CC1 ZINC001158977724 792886991 /nfs/dbraw/zinc/88/69/91/792886991.db2.gz IOTTXCTVIPNCRO-XZINFULNSA-N 2 2 354.407 -1.955 20 0 FAADLP C[NH+]1CCN(c2cccc(N[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]3O)[nH+]2)CC1 ZINC001158977725 792886660 /nfs/dbraw/zinc/88/66/60/792886660.db2.gz IOTTXCTVIPNCRO-YBUXEROVSA-N 2 2 354.407 -1.955 20 0 FAADLP COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)C1 ZINC001158991179 792888929 /nfs/dbraw/zinc/88/89/29/792888929.db2.gz JYOFRSKTCDEWCV-BZPMIXESSA-N 2 2 350.423 -1.707 20 0 FAADLP COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)C1 ZINC001158991180 792888428 /nfs/dbraw/zinc/88/84/28/792888428.db2.gz JYOFRSKTCDEWCV-DYEKYZERSA-N 2 2 350.423 -1.707 20 0 FAADLP COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)C1 ZINC001158991181 792888471 /nfs/dbraw/zinc/88/84/71/792888471.db2.gz JYOFRSKTCDEWCV-OBJOEFQTSA-N 2 2 350.423 -1.707 20 0 FAADLP COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)C1 ZINC001158991182 792888332 /nfs/dbraw/zinc/88/83/32/792888332.db2.gz JYOFRSKTCDEWCV-SCRDCRAPSA-N 2 2 350.423 -1.707 20 0 FAADLP COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])C1 ZINC001158991455 792888181 /nfs/dbraw/zinc/88/81/81/792888181.db2.gz MOYYBLRNYKFBCT-UBHSHLNASA-N 2 2 350.423 -1.849 20 0 FAADLP COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])C1 ZINC001158991457 792888597 /nfs/dbraw/zinc/88/85/97/792888597.db2.gz MOYYBLRNYKFBCT-XBFCOCLRSA-N 2 2 350.423 -1.849 20 0 FAADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1C[NH2+]C[C@@H]1N ZINC001159074413 792888401 /nfs/dbraw/zinc/88/84/01/792888401.db2.gz BALALXXVEIXGFP-AYMQEEERSA-N 2 2 354.451 -1.212 20 0 FAADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1C[NH2+]C[C@@H]1N ZINC001159074414 792888872 /nfs/dbraw/zinc/88/88/72/792888872.db2.gz BALALXXVEIXGFP-FHIRATQRSA-N 2 2 354.451 -1.212 20 0 FAADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1C[NH2+]C[C@@H]1N ZINC001159074415 792888947 /nfs/dbraw/zinc/88/89/47/792888947.db2.gz BALALXXVEIXGFP-WSMBLCCSSA-N 2 2 354.451 -1.212 20 0 FAADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1C[NH2+]C[C@@H]1N ZINC001159074416 792888908 /nfs/dbraw/zinc/88/89/08/792888908.db2.gz BALALXXVEIXGFP-XJIUQZFPSA-N 2 2 354.451 -1.212 20 0 FAADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001159074814 792888680 /nfs/dbraw/zinc/88/86/80/792888680.db2.gz BYHRLXNUPNBZTF-AYMQEEERSA-N 2 2 355.435 -1.036 20 0 FAADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001159074817 792888967 /nfs/dbraw/zinc/88/89/67/792888967.db2.gz BYHRLXNUPNBZTF-CFAJVAMVSA-N 2 2 355.435 -1.036 20 0 FAADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001159074819 792890205 /nfs/dbraw/zinc/89/02/05/792890205.db2.gz BYHRLXNUPNBZTF-FHIRATQRSA-N 2 2 355.435 -1.036 20 0 FAADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001159074820 792889423 /nfs/dbraw/zinc/88/94/23/792889423.db2.gz BYHRLXNUPNBZTF-VMUDFCTBSA-N 2 2 355.435 -1.036 20 0 FAADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001159074821 792889209 /nfs/dbraw/zinc/88/92/09/792889209.db2.gz BYHRLXNUPNBZTF-WBOJAVRRSA-N 2 2 355.435 -1.036 20 0 FAADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001159074823 792889638 /nfs/dbraw/zinc/88/96/38/792889638.db2.gz BYHRLXNUPNBZTF-WSMBLCCSSA-N 2 2 355.435 -1.036 20 0 FAADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001159074826 792889181 /nfs/dbraw/zinc/88/91/81/792889181.db2.gz BYHRLXNUPNBZTF-XJIUQZFPSA-N 2 2 355.435 -1.036 20 0 FAADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001159074828 792889256 /nfs/dbraw/zinc/88/92/56/792889256.db2.gz BYHRLXNUPNBZTF-ZOMKSWQUSA-N 2 2 355.435 -1.036 20 0 FAADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@]1(N)CC[NH2+]C1 ZINC001159075677 792889903 /nfs/dbraw/zinc/88/99/03/792889903.db2.gz FSUAVBVIUCLQLV-COXVUDFISA-N 2 2 354.451 -1.068 20 0 FAADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@]1(N)CC[NH2+]C1 ZINC001159075678 792890136 /nfs/dbraw/zinc/89/01/36/792890136.db2.gz FSUAVBVIUCLQLV-JQFCIGGWSA-N 2 2 354.451 -1.068 20 0 FAADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@@]1(N)CC[NH2+]C1 ZINC001159075679 792889162 /nfs/dbraw/zinc/88/91/62/792889162.db2.gz FSUAVBVIUCLQLV-RRQGHBQHSA-N 2 2 354.451 -1.068 20 0 FAADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@]1(N)CC[NH2+]C1 ZINC001159075680 792889520 /nfs/dbraw/zinc/88/95/20/792889520.db2.gz FSUAVBVIUCLQLV-XOKHGSTOSA-N 2 2 354.451 -1.068 20 0 FAADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1C[NH2+]CCN1 ZINC001159076206 792889535 /nfs/dbraw/zinc/88/95/35/792889535.db2.gz HCBNLQGXGFSZBL-CKEIUWERSA-N 2 2 354.451 -1.197 20 0 FAADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1C[NH2+]CCN1 ZINC001159076207 792889844 /nfs/dbraw/zinc/88/98/44/792889844.db2.gz HCBNLQGXGFSZBL-CPUCHLNUSA-N 2 2 354.451 -1.197 20 0 FAADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1C[NH2+]CCN1 ZINC001159076208 792889676 /nfs/dbraw/zinc/88/96/76/792889676.db2.gz HCBNLQGXGFSZBL-GRDNDAEWSA-N 2 2 354.451 -1.197 20 0 FAADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1C[NH2+]CCN1 ZINC001159076209 792889371 /nfs/dbraw/zinc/88/93/71/792889371.db2.gz HCBNLQGXGFSZBL-JJRVBVJISA-N 2 2 354.451 -1.197 20 0 FAADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1C[NH2+]CCN1 ZINC001159076210 792889351 /nfs/dbraw/zinc/88/93/51/792889351.db2.gz HCBNLQGXGFSZBL-JKIFEVAISA-N 2 2 354.451 -1.197 20 0 FAADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1C[NH2+]CCN1 ZINC001159076211 792889328 /nfs/dbraw/zinc/88/93/28/792889328.db2.gz HCBNLQGXGFSZBL-KEYYUXOJSA-N 2 2 354.451 -1.197 20 0 FAADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1C[NH2+]CCN1 ZINC001159076212 792889473 /nfs/dbraw/zinc/88/94/73/792889473.db2.gz HCBNLQGXGFSZBL-VBQJREDUSA-N 2 2 354.451 -1.197 20 0 FAADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1C[NH2+]CCN1 ZINC001159076213 792890188 /nfs/dbraw/zinc/89/01/88/792890188.db2.gz HCBNLQGXGFSZBL-ZQIUZPCESA-N 2 2 354.451 -1.197 20 0 FAADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1C[NH2+]C[C@@H]1O ZINC001159077348 792889229 /nfs/dbraw/zinc/88/92/29/792889229.db2.gz OVVJKPUUJJQMDN-FHIRATQRSA-N 2 2 355.435 -1.178 20 0 FAADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1C[NH2+]C[C@H]1O ZINC001159077349 792889947 /nfs/dbraw/zinc/88/99/47/792889947.db2.gz OVVJKPUUJJQMDN-OEUWWYETSA-N 2 2 355.435 -1.178 20 0 FAADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1C[NH2+]C[C@H]1O ZINC001159077350 792890089 /nfs/dbraw/zinc/89/00/89/792890089.db2.gz OVVJKPUUJJQMDN-WBOJAVRRSA-N 2 2 355.435 -1.178 20 0 FAADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1C[NH2+]C[C@@H]1O ZINC001159077351 792889864 /nfs/dbraw/zinc/88/98/64/792889864.db2.gz OVVJKPUUJJQMDN-WVZRYYJFSA-N 2 2 355.435 -1.178 20 0 FAADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1[NH2+]CC[C@@H]1O ZINC001159078328 792889394 /nfs/dbraw/zinc/88/93/94/792889394.db2.gz VUSMCFBAZATMSJ-AYMQEEERSA-N 2 2 355.435 -1.036 20 0 FAADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1[NH2+]CC[C@@H]1O ZINC001159078329 792890015 /nfs/dbraw/zinc/89/00/15/792890015.db2.gz VUSMCFBAZATMSJ-FHIRATQRSA-N 2 2 355.435 -1.036 20 0 FAADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1[NH2+]CC[C@H]1O ZINC001159078331 792889450 /nfs/dbraw/zinc/88/94/50/792889450.db2.gz VUSMCFBAZATMSJ-LOUJCGABSA-N 2 2 355.435 -1.036 20 0 FAADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1[NH2+]CC[C@@H]1O ZINC001159078332 792889996 /nfs/dbraw/zinc/88/99/96/792889996.db2.gz VUSMCFBAZATMSJ-WSMBLCCSSA-N 2 2 355.435 -1.036 20 0 FAADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1[NH2+]CC[C@H]1O ZINC001159078333 792889763 /nfs/dbraw/zinc/88/97/63/792889763.db2.gz VUSMCFBAZATMSJ-WVZRYYJFSA-N 2 2 355.435 -1.036 20 0 FAADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1[NH2+]CC[C@@H]1O ZINC001159078335 792889554 /nfs/dbraw/zinc/88/95/54/792889554.db2.gz VUSMCFBAZATMSJ-XJIUQZFPSA-N 2 2 355.435 -1.036 20 0 FAADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H]3C[NH2+]CCN3)C2)C1 ZINC001159126708 792891356 /nfs/dbraw/zinc/89/13/56/792891356.db2.gz QORDJKFYPMQIGS-PBHICJAKSA-N 2 2 353.467 -1.765 20 0 FAADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H]3C[NH2+]CCN3)C2)C1 ZINC001159126708 792891344 /nfs/dbraw/zinc/89/13/44/792891344.db2.gz QORDJKFYPMQIGS-PBHICJAKSA-N 2 2 353.467 -1.765 20 0 FAADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@H]3C[NH2+]CCN3)C2)C1 ZINC001159126712 792890904 /nfs/dbraw/zinc/89/09/04/792890904.db2.gz QORDJKFYPMQIGS-RHSMWYFYSA-N 2 2 353.467 -1.765 20 0 FAADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@H]3C[NH2+]CCN3)C2)C1 ZINC001159126712 792890893 /nfs/dbraw/zinc/89/08/93/792890893.db2.gz QORDJKFYPMQIGS-RHSMWYFYSA-N 2 2 353.467 -1.765 20 0 FAADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3C[NH2+]CCN3)C2)C1 ZINC001159126713 792891185 /nfs/dbraw/zinc/89/11/85/792891185.db2.gz QORDJKFYPMQIGS-WMLDXEAASA-N 2 2 353.467 -1.765 20 0 FAADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3C[NH2+]CCN3)C2)C1 ZINC001159126713 792891175 /nfs/dbraw/zinc/89/11/75/792891175.db2.gz QORDJKFYPMQIGS-WMLDXEAASA-N 2 2 353.467 -1.765 20 0 FAADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]3C[NH2+]CCN3)C2)C1 ZINC001159126714 792890841 /nfs/dbraw/zinc/89/08/41/792890841.db2.gz QORDJKFYPMQIGS-YOEHRIQHSA-N 2 2 353.467 -1.765 20 0 FAADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]3C[NH2+]CCN3)C2)C1 ZINC001159126714 792890832 /nfs/dbraw/zinc/89/08/32/792890832.db2.gz QORDJKFYPMQIGS-YOEHRIQHSA-N 2 2 353.467 -1.765 20 0 FAADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)C[NH2+]CCC[NH3+])C2)C1 ZINC001159127898 792890468 /nfs/dbraw/zinc/89/04/68/792890468.db2.gz VCUDVMXALFAYCQ-KRWDZBQOSA-N 3 2 355.483 -1.388 20 0 FAADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)C[NH2+]CCC[NH3+])C2)C1 ZINC001159127898 792890461 /nfs/dbraw/zinc/89/04/61/792890461.db2.gz VCUDVMXALFAYCQ-KRWDZBQOSA-N 3 2 355.483 -1.388 20 0 FAADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)C[NH2+]CCC[NH3+])C2)C1 ZINC001159127899 792891539 /nfs/dbraw/zinc/89/15/39/792891539.db2.gz VCUDVMXALFAYCQ-QGZVFWFLSA-N 3 2 355.483 -1.388 20 0 FAADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)C[NH2+]CCC[NH3+])C2)C1 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CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001160440710 792901123 /nfs/dbraw/zinc/90/11/23/792901123.db2.gz SJFWYLAJCNBHHH-STQMWFEESA-N 2 2 355.439 -1.983 20 0 FAADLP CS(=O)(=O)N(CC[NH3+])CC(=O)N1CC[NH+](CCc2ccccn2)CC1 ZINC001160483717 792901344 /nfs/dbraw/zinc/90/13/44/792901344.db2.gz VVKSLLTVBFCFMF-UHFFFAOYSA-N 2 2 369.491 -1.011 20 0 FAADLP COC(=O)[C@H]1SC[C@H](C(=O)OC)N1C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001160494623 792902163 /nfs/dbraw/zinc/90/21/63/792902163.db2.gz UNUVGYXZDIEHKW-HOSYDEDBSA-N 2 2 356.404 -1.094 20 0 FAADLP COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001160494624 792902329 /nfs/dbraw/zinc/90/23/29/792902329.db2.gz UNUVGYXZDIEHKW-JBLDHEPKSA-N 2 2 356.404 -1.094 20 0 FAADLP COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001160494627 792902422 /nfs/dbraw/zinc/90/24/22/792902422.db2.gz UNUVGYXZDIEHKW-NHCYSSNCSA-N 2 2 356.404 -1.094 20 0 FAADLP COC(=O)[C@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001160494629 792902581 /nfs/dbraw/zinc/90/25/81/792902581.db2.gz UNUVGYXZDIEHKW-UMNHJUIQSA-N 2 2 356.404 -1.094 20 0 FAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCN(CCCS(C)(=O)=O)CC1 ZINC001160585374 792902516 /nfs/dbraw/zinc/90/25/16/792902516.db2.gz IUQAKNAHFMYKIV-AWEZNQCLSA-N 2 2 357.480 -1.131 20 0 FAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)N1CCN(C2CCOCC2)C(=O)C1 ZINC001160638338 792902910 /nfs/dbraw/zinc/90/29/10/792902910.db2.gz SPCRVWMTUNOMLL-HNNXBMFYSA-N 2 2 353.467 -1.413 20 0 FAADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)N1CCN(C2CCOCC2)C(=O)C1 ZINC001160638339 792903516 /nfs/dbraw/zinc/90/35/16/792903516.db2.gz SPCRVWMTUNOMLL-OAHLLOKOSA-N 2 2 353.467 -1.413 20 0 FAADLP COC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)[C@@]13CC[C@@H]([NH2+]1)[C@H]([NH3+])C3)C2 ZINC001160771782 792905524 /nfs/dbraw/zinc/90/55/24/792905524.db2.gz GKFUWKDDSRFMKP-BIAAXOCRSA-N 2 2 357.432 -1.603 20 0 FAADLP COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)[C@@]13CC[C@@H]([NH2+]1)[C@H]([NH3+])C3)C2 ZINC001160771783 792905897 /nfs/dbraw/zinc/90/58/97/792905897.db2.gz GKFUWKDDSRFMKP-OXIWPEFWSA-N 2 2 357.432 -1.603 20 0 FAADLP COC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)C2 ZINC001160772100 792905096 /nfs/dbraw/zinc/90/50/96/792905096.db2.gz NWWPGEXZRPTRDY-NEPJUHHUSA-N 2 2 370.431 -1.521 20 0 FAADLP COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)C2 ZINC001160772101 792905184 /nfs/dbraw/zinc/90/51/84/792905184.db2.gz NWWPGEXZRPTRDY-RYUDHWBXSA-N 2 2 370.431 -1.521 20 0 FAADLP COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)[C@@]13C[NH2+]C[C@H]1CC[NH2+]3)C2 ZINC001160772218 792905827 /nfs/dbraw/zinc/90/58/27/792905827.db2.gz PUAGPQKTWDAXNY-JRPNMDOOSA-N 2 2 357.432 -1.873 20 0 FAADLP COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)[C@]13C[NH2+]C[C@@H]1CC[NH2+]3)C2 ZINC001160772221 792905541 /nfs/dbraw/zinc/90/55/41/792905541.db2.gz PUAGPQKTWDAXNY-PGUXBMHVSA-N 2 2 357.432 -1.873 20 0 FAADLP COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)[C@]13C[NH2+]C[C@H]1CC[NH2+]3)C2 ZINC001160772223 792905343 /nfs/dbraw/zinc/90/53/43/792905343.db2.gz PUAGPQKTWDAXNY-ZETOZRRWSA-N 2 2 357.432 -1.873 20 0 FAADLP COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)[C@@]13C[NH2+]C[C@@H]1CC[NH2+]3)C2 ZINC001160772224 792905285 /nfs/dbraw/zinc/90/52/85/792905285.db2.gz PUAGPQKTWDAXNY-ZIBATOQPSA-N 2 2 357.432 -1.873 20 0 FAADLP COC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)C[NH2+]C1CC[NH2+]CC1)C2 ZINC001160772672 792906800 /nfs/dbraw/zinc/90/68/00/792906800.db2.gz VBBXHPDNYSHRTM-GFCCVEGCSA-N 2 2 359.448 -1.483 20 0 FAADLP COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)C[NH2+]C1CC[NH2+]CC1)C2 ZINC001160772673 792906890 /nfs/dbraw/zinc/90/68/90/792906890.db2.gz VBBXHPDNYSHRTM-LBPRGKRZSA-N 2 2 359.448 -1.483 20 0 FAADLP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)CN3CC[NH2+]CC3=O)C[C@H]1C2 ZINC001160791993 792906454 /nfs/dbraw/zinc/90/64/54/792906454.db2.gz KPRLSCVFUPRMPR-ZHRONYKTSA-N 2 2 350.419 -1.725 20 0 FAADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CC[C@@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161068748 792909007 /nfs/dbraw/zinc/90/90/07/792909007.db2.gz WMCJIGVXOHXMQX-RFQIPJPRSA-N 2 2 365.459 -1.089 20 0 FAADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CC[C@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161068750 792909832 /nfs/dbraw/zinc/90/98/32/792909832.db2.gz WMCJIGVXOHXMQX-XDQVBPFNSA-N 2 2 365.459 -1.089 20 0 FAADLP O=C(N1CC[C@H](NS(=O)(=O)c2ccccn2)C1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001161069025 792910114 /nfs/dbraw/zinc/91/01/14/792910114.db2.gz ZGGUWWXWESYHMF-DVOMOZLQSA-N 2 2 365.459 -1.088 20 0 FAADLP O=C(N1CC[C@H](NS(=O)(=O)c2ccccn2)C1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001161069030 792909803 /nfs/dbraw/zinc/90/98/03/792909803.db2.gz ZGGUWWXWESYHMF-HEHGZKQESA-N 2 2 365.459 -1.088 20 0 FAADLP O=C(N1CC[C@H](NS(=O)(=O)c2ccccn2)C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001161069032 792909709 /nfs/dbraw/zinc/90/97/09/792909709.db2.gz ZGGUWWXWESYHMF-WWGRRREGSA-N 2 2 365.459 -1.088 20 0 FAADLP O=C(N1CC[C@H](NS(=O)(=O)c2ccccn2)C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001161069034 792910135 /nfs/dbraw/zinc/91/01/35/792910135.db2.gz ZGGUWWXWESYHMF-XEZPLFJOSA-N 2 2 365.459 -1.088 20 0 FAADLP NC(=O)[C@@H]1CCCN1c1cc(NCCN(CC[NH3+])N(O)N=O)nc[nH+]1 ZINC001161096105 792910072 /nfs/dbraw/zinc/91/00/72/792910072.db2.gz YMXWRWXLAQRLME-JTQLQIEISA-N 2 2 353.387 -1.109 20 0 FAADLP NC(=O)[C@H]1CCCN1c1cc(NCCN(CC[NH3+])N(O)N=O)nc[nH+]1 ZINC001161096106 792909937 /nfs/dbraw/zinc/90/99/37/792909937.db2.gz YMXWRWXLAQRLME-SNVBAGLBSA-N 2 2 353.387 -1.109 20 0 FAADLP [NH3+]CC(=O)NCC(=O)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196165 792909775 /nfs/dbraw/zinc/90/97/75/792909775.db2.gz AAKYXRUMOFFDKU-UHFFFAOYSA-N 3 2 355.483 -1.388 20 0 FAADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)[NH3+] ZINC001161237274 792911240 /nfs/dbraw/zinc/91/12/40/792911240.db2.gz KKTSCPXBCIAAMZ-SRVKXCTJSA-N 2 2 356.423 -1.387 20 0 FAADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)[NH3+] ZINC001161237274 792911233 /nfs/dbraw/zinc/91/12/33/792911233.db2.gz KKTSCPXBCIAAMZ-SRVKXCTJSA-N 2 2 356.423 -1.387 20 0 FAADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)[NH3+] ZINC001161237275 792910983 /nfs/dbraw/zinc/91/09/83/792910983.db2.gz KKTSCPXBCIAAMZ-TUAOUCFPSA-N 2 2 356.423 -1.387 20 0 FAADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)[NH3+] ZINC001161237275 792910977 /nfs/dbraw/zinc/91/09/77/792910977.db2.gz KKTSCPXBCIAAMZ-TUAOUCFPSA-N 2 2 356.423 -1.387 20 0 FAADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001161239406 792911048 /nfs/dbraw/zinc/91/10/48/792911048.db2.gz ZXHQRTQCXZOORK-NWDGAFQWSA-N 2 2 358.439 -1.439 20 0 FAADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001161239406 792911039 /nfs/dbraw/zinc/91/10/39/792911039.db2.gz ZXHQRTQCXZOORK-NWDGAFQWSA-N 2 2 358.439 -1.439 20 0 FAADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001161239408 792910856 /nfs/dbraw/zinc/91/08/56/792910856.db2.gz ZXHQRTQCXZOORK-RYUDHWBXSA-N 2 2 358.439 -1.439 20 0 FAADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001161239408 792910849 /nfs/dbraw/zinc/91/08/49/792910849.db2.gz ZXHQRTQCXZOORK-RYUDHWBXSA-N 2 2 358.439 -1.439 20 0 FAADLP O=C(NC1CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CC1)N1CCOCC1 ZINC001161269452 792911083 /nfs/dbraw/zinc/91/10/83/792911083.db2.gz DKAILOVGOUOWLT-AEGPPILISA-N 2 2 351.451 -1.031 20 0 FAADLP O=C(NC1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1)N1CCOCC1 ZINC001161269722 792910894 /nfs/dbraw/zinc/91/08/94/792910894.db2.gz KKDHUJIWPBGMIQ-CXAGYDPISA-N 2 2 351.451 -1.029 20 0 FAADLP O=C(NC1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1)N1CCOCC1 ZINC001161269723 792910924 /nfs/dbraw/zinc/91/09/24/792910924.db2.gz KKDHUJIWPBGMIQ-DYVFJYSZSA-N 2 2 351.451 -1.029 20 0 FAADLP O=C(NC1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1)N1CCOCC1 ZINC001161269724 792910741 /nfs/dbraw/zinc/91/07/41/792910741.db2.gz KKDHUJIWPBGMIQ-GUYCJALGSA-N 2 2 351.451 -1.029 20 0 FAADLP O=C(NC1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1)N1CCOCC1 ZINC001161269725 792910907 /nfs/dbraw/zinc/91/09/07/792910907.db2.gz KKDHUJIWPBGMIQ-SUMWQHHRSA-N 2 2 351.451 -1.029 20 0 FAADLP COc1cc(N2CCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)CC2)cc[nH+]1 ZINC001161306525 792912021 /nfs/dbraw/zinc/91/20/21/792912021.db2.gz OPKWIFJUZWOWBJ-AAEUAGOBSA-N 2 2 351.407 -1.437 20 0 FAADLP COc1cc(N2CCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)CC2)cc[nH+]1 ZINC001161306566 792911874 /nfs/dbraw/zinc/91/18/74/792911874.db2.gz QPHROODCDJIFAN-UHFFFAOYSA-N 2 2 371.463 -1.041 20 0 FAADLP CC(=O)N1CC2(C1)CN(C(=O)C1([NH3+])CC[NH2+]CC1)C[C@@H]2C(=O)N(C)C ZINC001161506229 792914155 /nfs/dbraw/zinc/91/41/55/792914155.db2.gz CQTJDGCVGFOBFE-CYBMUJFWSA-N 2 2 351.451 -1.538 20 0 FAADLP CC(=O)N1CC2(C1)CN(C(=O)C1([NH3+])CC[NH2+]CC1)C[C@H]2C(=O)N(C)C ZINC001161506230 792913924 /nfs/dbraw/zinc/91/39/24/792913924.db2.gz CQTJDGCVGFOBFE-ZDUSSCGKSA-N 2 2 351.451 -1.538 20 0 FAADLP CS(=O)(=O)c1nc2c(c(N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)n1)CC[NH2+]CC2 ZINC001162438079 792918095 /nfs/dbraw/zinc/91/80/95/792918095.db2.gz WSLQUPRIQWJNKM-GMXVVIOVSA-N 2 2 368.467 -2.935 20 0 FAADLP CS(=O)(=O)c1nc2c(c(N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)n1)CC[NH2+]CC2 ZINC001162438080 792918421 /nfs/dbraw/zinc/91/84/21/792918421.db2.gz WSLQUPRIQWJNKM-GVXVVHGQSA-N 2 2 368.467 -2.935 20 0 FAADLP CS(=O)(=O)c1nc2c(c(N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)n1)CC[NH2+]CC2 ZINC001162438081 792918212 /nfs/dbraw/zinc/91/82/12/792918212.db2.gz WSLQUPRIQWJNKM-MDZLAQPJSA-N 2 2 368.467 -2.935 20 0 FAADLP CS(=O)(=O)c1nc2c(c(N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)n1)CC[NH2+]CC2 ZINC001162438082 792918366 /nfs/dbraw/zinc/91/83/66/792918366.db2.gz WSLQUPRIQWJNKM-NTZNESFSSA-N 2 2 368.467 -2.935 20 0 FAADLP COC[C@H](O)C[NH2+]CCCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001162995921 792920837 /nfs/dbraw/zinc/92/08/37/792920837.db2.gz JSEXVHQQXJSUPJ-OAGGEKHMSA-N 2 2 359.467 -1.031 20 0 FAADLP COC[C@@H](O)C[NH2+]CCCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001162995922 792920799 /nfs/dbraw/zinc/92/07/99/792920799.db2.gz JSEXVHQQXJSUPJ-XHSDSOJGSA-N 2 2 359.467 -1.031 20 0 FAADLP O=C(NCCC[NH2+][C@H]1CCNC1=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001162996595 792920625 /nfs/dbraw/zinc/92/06/25/792920625.db2.gz WBITZSKUZTTZSQ-ILXRZTDVSA-N 2 2 354.451 -1.149 20 0 FAADLP O=C(NCCC[NH2+][C@@H]1CCNC1=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001162996596 792920873 /nfs/dbraw/zinc/92/08/73/792920873.db2.gz WBITZSKUZTTZSQ-KFWWJZLASA-N 2 2 354.451 -1.149 20 0 FAADLP O=C(NCCC[NH2+]CCOCCO)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001162996739 792920207 /nfs/dbraw/zinc/92/02/07/792920207.db2.gz YMPIVNZSKRDIMH-CVEARBPZSA-N 2 2 359.467 -1.029 20 0 FAADLP CS(=O)(=O)N(c1nc2c(c(N3CCOCC3)n1)C[NH2+]C2)C1C[NH2+]C1 ZINC001166970215 792927332 /nfs/dbraw/zinc/92/73/32/792927332.db2.gz HLLLSSNWAGIRTF-UHFFFAOYSA-N 2 2 354.436 -1.346 20 0 FAADLP NC(=O)CNC(=O)CNC(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981577 790331186 /nfs/dbraw/zinc/33/11/86/790331186.db2.gz AWTDPCODJIWZOB-AGUYFDCRSA-N 2 2 351.451 -1.301 20 0 FAADLP NC(=O)CNC(=O)CNC(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167981577 790331176 /nfs/dbraw/zinc/33/11/76/790331176.db2.gz AWTDPCODJIWZOB-AGUYFDCRSA-N 2 2 351.451 -1.301 20 0 FAADLP COC(=O)c1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc(S(C)(=O)=O)n1 ZINC001169070833 790672020 /nfs/dbraw/zinc/67/20/20/790672020.db2.gz DJCZOEICCZCLBU-MRVPVSSYSA-N 2 2 355.376 -1.286 20 0 FAADLP COC(=O)CNS(=O)(=O)c1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc1 ZINC001169071443 790671519 /nfs/dbraw/zinc/67/15/19/790671519.db2.gz DVDSUVOVZOJMQM-SNVBAGLBSA-N 2 2 369.403 -1.419 20 0 FAADLP COC(=O)c1cnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c(S(N)(=O)=O)c1 ZINC001169071849 790671684 /nfs/dbraw/zinc/67/16/84/790671684.db2.gz GJGUQYUXUDKPQG-SECBINFHSA-N 2 2 355.376 -1.437 20 0 FAADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC(=O)N1CCC[C@H]1C(=O)NCC(N)=O)C2 ZINC001169124378 790673080 /nfs/dbraw/zinc/67/30/80/790673080.db2.gz QPRDGFRITHDJDK-CRWXNKLISA-N 2 2 351.451 -1.206 20 0 FAADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC(=O)N1CCC[C@H]1C(=O)NCC(N)=O)C2 ZINC001169124378 790673076 /nfs/dbraw/zinc/67/30/76/790673076.db2.gz QPRDGFRITHDJDK-CRWXNKLISA-N 2 2 351.451 -1.206 20 0 FAADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC(=O)N1CCC[C@H]1C(=O)NCC(N)=O)C2 ZINC001169124379 790673059 /nfs/dbraw/zinc/67/30/59/790673059.db2.gz QPRDGFRITHDJDK-FQUUOJAGSA-N 2 2 351.451 -1.206 20 0 FAADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC(=O)N1CCC[C@H]1C(=O)NCC(N)=O)C2 ZINC001169124379 790673055 /nfs/dbraw/zinc/67/30/55/790673055.db2.gz QPRDGFRITHDJDK-FQUUOJAGSA-N 2 2 351.451 -1.206 20 0 FAADLP Nc1cc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)[nH+]cc1F ZINC001171262889 790901886 /nfs/dbraw/zinc/90/18/86/790901886.db2.gz TXJAYFNHXBWTFW-HUXSOILUSA-N 2 2 352.326 -1.485 20 0 FAADLP C[NH+]1CCN(CC(=O)N(Cc2noc3c2C[NH2+]CC3)S(C)(=O)=O)CC1 ZINC001178949758 791017110 /nfs/dbraw/zinc/01/71/10/791017110.db2.gz VQTBEIXEVMICBM-UHFFFAOYSA-N 2 2 371.463 -1.144 20 0 FAADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)COCCO)CC2)C1=O ZINC001181774527 791031567 /nfs/dbraw/zinc/03/15/67/791031567.db2.gz XELXMWRBNLVLCB-UHFFFAOYSA-N 2 2 356.467 -1.308 20 0 FAADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)COCCO)CC2)C1=O ZINC001181774527 791031558 /nfs/dbraw/zinc/03/15/58/791031558.db2.gz XELXMWRBNLVLCB-UHFFFAOYSA-N 2 2 356.467 -1.308 20 0 FAADLP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001184469958 791045693 /nfs/dbraw/zinc/04/56/93/791045693.db2.gz WFNCSOWFMSTVEG-KFWWJZLASA-N 2 2 354.451 -1.197 20 0 FAADLP CN1CC[N@@H+](C)C[C@@H]1C(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O ZINC001185243154 791047796 /nfs/dbraw/zinc/04/77/96/791047796.db2.gz BWNGWIZLKKVFEQ-CYBMUJFWSA-N 2 2 371.463 -1.146 20 0 FAADLP CN1CC[N@H+](C)C[C@@H]1C(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O ZINC001185243154 791047785 /nfs/dbraw/zinc/04/77/85/791047785.db2.gz BWNGWIZLKKVFEQ-CYBMUJFWSA-N 2 2 371.463 -1.146 20 0 FAADLP CN1CC[N@@H+](C)C[C@H]1C(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O ZINC001185243158 791048083 /nfs/dbraw/zinc/04/80/83/791048083.db2.gz BWNGWIZLKKVFEQ-ZDUSSCGKSA-N 2 2 371.463 -1.146 20 0 FAADLP CN1CC[N@H+](C)C[C@H]1C(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O ZINC001185243158 791048071 /nfs/dbraw/zinc/04/80/71/791048071.db2.gz BWNGWIZLKKVFEQ-ZDUSSCGKSA-N 2 2 371.463 -1.146 20 0 FAADLP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)C[N@H+]1CC[C@H](O)C1 ZINC001186037937 791054169 /nfs/dbraw/zinc/05/41/69/791054169.db2.gz MCSGZLOPJLXTOC-JTQLQIEISA-N 2 2 358.420 -1.325 20 0 FAADLP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)C[N@@H+]1CC[C@H](O)C1 ZINC001186037937 791054157 /nfs/dbraw/zinc/05/41/57/791054157.db2.gz MCSGZLOPJLXTOC-JTQLQIEISA-N 2 2 358.420 -1.325 20 0 FAADLP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)C[N@H+]1CC[C@@H](O)C1 ZINC001186037939 791054282 /nfs/dbraw/zinc/05/42/82/791054282.db2.gz MCSGZLOPJLXTOC-SNVBAGLBSA-N 2 2 358.420 -1.325 20 0 FAADLP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC001186037939 791054270 /nfs/dbraw/zinc/05/42/70/791054270.db2.gz MCSGZLOPJLXTOC-SNVBAGLBSA-N 2 2 358.420 -1.325 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCNS(C)(=O)=O)C[C@H]32)O1 ZINC001188323230 791959800 /nfs/dbraw/zinc/95/98/00/791959800.db2.gz RRMQDKZUECFHST-LXTVHRRPSA-N 2 2 374.507 -1.213 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3C[N@H+](CCNS(C)(=O)=O)C[C@H]32)O1 ZINC001188323230 791959792 /nfs/dbraw/zinc/95/97/92/791959792.db2.gz RRMQDKZUECFHST-LXTVHRRPSA-N 2 2 374.507 -1.213 20 0 FAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3C[NH+](CCNS(C)(=O)=O)C[C@H]32)O1 ZINC001188323230 791959789 /nfs/dbraw/zinc/95/97/89/791959789.db2.gz RRMQDKZUECFHST-LXTVHRRPSA-N 2 2 374.507 -1.213 20 0 FAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3C[NH+](CCNS(C)(=O)=O)C[C@H]32)O1 ZINC001188323230 791959779 /nfs/dbraw/zinc/95/97/79/791959779.db2.gz RRMQDKZUECFHST-LXTVHRRPSA-N 2 2 374.507 -1.213 20 0 FAADLP NC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001189425738 791977888 /nfs/dbraw/zinc/97/78/88/791977888.db2.gz OPZXIMGYWWKAQR-QWHCGFSZSA-N 2 2 353.423 -1.564 20 0 FAADLP NC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001189425738 791977882 /nfs/dbraw/zinc/97/78/82/791977882.db2.gz OPZXIMGYWWKAQR-QWHCGFSZSA-N 2 2 353.423 -1.564 20 0 FAADLP Cn1[nH]c(C[N@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)nc1=O ZINC001189801731 791983159 /nfs/dbraw/zinc/98/31/59/791983159.db2.gz KGNPVVJZXDTEPG-QWHCGFSZSA-N 2 2 352.439 -1.281 20 0 FAADLP Cn1[nH]c(C[N@@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)nc1=O ZINC001189801731 791983156 /nfs/dbraw/zinc/98/31/56/791983156.db2.gz KGNPVVJZXDTEPG-QWHCGFSZSA-N 2 2 352.439 -1.281 20 0 FAADLP CNC(=O)NC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001190899740 792002463 /nfs/dbraw/zinc/00/24/63/792002463.db2.gz MOVKKRFZUXEFOR-FRRDWIJNSA-N 2 2 355.439 -1.306 20 0 FAADLP CNC(=O)NC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001190899740 792002453 /nfs/dbraw/zinc/00/24/53/792002453.db2.gz MOVKKRFZUXEFOR-FRRDWIJNSA-N 2 2 355.439 -1.306 20 0 FAADLP CNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190899740 792002446 /nfs/dbraw/zinc/00/24/46/792002446.db2.gz MOVKKRFZUXEFOR-FRRDWIJNSA-N 2 2 355.439 -1.306 20 0 FAADLP CNC(=O)NC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190899740 792002438 /nfs/dbraw/zinc/00/24/38/792002438.db2.gz MOVKKRFZUXEFOR-FRRDWIJNSA-N 2 2 355.439 -1.306 20 0 FAADLP CNC(=O)NC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001190899741 792002731 /nfs/dbraw/zinc/00/27/31/792002731.db2.gz MOVKKRFZUXEFOR-JHJVBQTASA-N 2 2 355.439 -1.306 20 0 FAADLP CNC(=O)NC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001190899741 792002718 /nfs/dbraw/zinc/00/27/18/792002718.db2.gz MOVKKRFZUXEFOR-JHJVBQTASA-N 2 2 355.439 -1.306 20 0 FAADLP CNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190899741 792002707 /nfs/dbraw/zinc/00/27/07/792002707.db2.gz MOVKKRFZUXEFOR-JHJVBQTASA-N 2 2 355.439 -1.306 20 0 FAADLP CNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190899741 792002694 /nfs/dbraw/zinc/00/26/94/792002694.db2.gz MOVKKRFZUXEFOR-JHJVBQTASA-N 2 2 355.439 -1.306 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]([N@@H+](C)CCNS(C)(=O)=O)C2)O1 ZINC001190900456 792002817 /nfs/dbraw/zinc/00/28/17/792002817.db2.gz PYKPITBGSAODDN-HZSPNIEDSA-N 2 2 362.496 -1.213 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]([N@H+](C)CCNS(C)(=O)=O)C2)O1 ZINC001190900456 792002807 /nfs/dbraw/zinc/00/28/07/792002807.db2.gz PYKPITBGSAODDN-HZSPNIEDSA-N 2 2 362.496 -1.213 20 0 FAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+](C)CCNS(C)(=O)=O)C2)O1 ZINC001190900456 792002795 /nfs/dbraw/zinc/00/27/95/792002795.db2.gz PYKPITBGSAODDN-HZSPNIEDSA-N 2 2 362.496 -1.213 20 0 FAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+](C)CCNS(C)(=O)=O)C2)O1 ZINC001190900456 792002785 /nfs/dbraw/zinc/00/27/85/792002785.db2.gz PYKPITBGSAODDN-HZSPNIEDSA-N 2 2 362.496 -1.213 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CCNS(C)(=O)=O)C2)O1 ZINC001190900461 792002528 /nfs/dbraw/zinc/00/25/28/792002528.db2.gz PYKPITBGSAODDN-MGPQQGTHSA-N 2 2 362.496 -1.213 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H]([N@H+](C)CCNS(C)(=O)=O)C2)O1 ZINC001190900461 792002515 /nfs/dbraw/zinc/00/25/15/792002515.db2.gz PYKPITBGSAODDN-MGPQQGTHSA-N 2 2 362.496 -1.213 20 0 FAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH+](C)CCNS(C)(=O)=O)C2)O1 ZINC001190900461 792002503 /nfs/dbraw/zinc/00/25/03/792002503.db2.gz PYKPITBGSAODDN-MGPQQGTHSA-N 2 2 362.496 -1.213 20 0 FAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH+](C)CCNS(C)(=O)=O)C2)O1 ZINC001190900461 792002490 /nfs/dbraw/zinc/00/24/90/792002490.db2.gz PYKPITBGSAODDN-MGPQQGTHSA-N 2 2 362.496 -1.213 20 0 FAADLP CCS(=O)(=O)NCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001191784636 792040297 /nfs/dbraw/zinc/04/02/97/792040297.db2.gz HIMPSJZGQYLUCJ-HZSPNIEDSA-N 2 2 362.496 -1.429 20 0 FAADLP CCS(=O)(=O)NCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001191784636 792040286 /nfs/dbraw/zinc/04/02/86/792040286.db2.gz HIMPSJZGQYLUCJ-HZSPNIEDSA-N 2 2 362.496 -1.429 20 0 FAADLP CCS(=O)(=O)NCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001191784636 792040272 /nfs/dbraw/zinc/04/02/72/792040272.db2.gz HIMPSJZGQYLUCJ-HZSPNIEDSA-N 2 2 362.496 -1.429 20 0 FAADLP CCS(=O)(=O)NCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001191784636 792040261 /nfs/dbraw/zinc/04/02/61/792040261.db2.gz HIMPSJZGQYLUCJ-HZSPNIEDSA-N 2 2 362.496 -1.429 20 0 FAADLP CCS(=O)(=O)NCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001191784637 792040384 /nfs/dbraw/zinc/04/03/84/792040384.db2.gz HIMPSJZGQYLUCJ-MGPQQGTHSA-N 2 2 362.496 -1.429 20 0 FAADLP CCS(=O)(=O)NCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001191784637 792040372 /nfs/dbraw/zinc/04/03/72/792040372.db2.gz HIMPSJZGQYLUCJ-MGPQQGTHSA-N 2 2 362.496 -1.429 20 0 FAADLP CCS(=O)(=O)NCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001191784637 792040359 /nfs/dbraw/zinc/04/03/59/792040359.db2.gz HIMPSJZGQYLUCJ-MGPQQGTHSA-N 2 2 362.496 -1.429 20 0 FAADLP CCS(=O)(=O)NCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001191784637 792040349 /nfs/dbraw/zinc/04/03/49/792040349.db2.gz HIMPSJZGQYLUCJ-MGPQQGTHSA-N 2 2 362.496 -1.429 20 0 FAADLP CN(C)S(=O)(=O)CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001191794380 792042223 /nfs/dbraw/zinc/04/22/23/792042223.db2.gz VLGONTBMBONVFY-HZSPNIEDSA-N 2 2 362.496 -1.477 20 0 FAADLP CN(C)S(=O)(=O)CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001191794380 792042212 /nfs/dbraw/zinc/04/22/12/792042212.db2.gz VLGONTBMBONVFY-HZSPNIEDSA-N 2 2 362.496 -1.477 20 0 FAADLP CN(C)S(=O)(=O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001191794380 792042200 /nfs/dbraw/zinc/04/22/00/792042200.db2.gz VLGONTBMBONVFY-HZSPNIEDSA-N 2 2 362.496 -1.477 20 0 FAADLP CN(C)S(=O)(=O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001191794380 792042190 /nfs/dbraw/zinc/04/21/90/792042190.db2.gz VLGONTBMBONVFY-HZSPNIEDSA-N 2 2 362.496 -1.477 20 0 FAADLP CN(C)S(=O)(=O)CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001191794386 792041443 /nfs/dbraw/zinc/04/14/43/792041443.db2.gz VLGONTBMBONVFY-MGPQQGTHSA-N 2 2 362.496 -1.477 20 0 FAADLP CN(C)S(=O)(=O)CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001191794386 792041431 /nfs/dbraw/zinc/04/14/31/792041431.db2.gz VLGONTBMBONVFY-MGPQQGTHSA-N 2 2 362.496 -1.477 20 0 FAADLP CN(C)S(=O)(=O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001191794386 792041423 /nfs/dbraw/zinc/04/14/23/792041423.db2.gz VLGONTBMBONVFY-MGPQQGTHSA-N 2 2 362.496 -1.477 20 0 FAADLP CN(C)S(=O)(=O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001191794386 792041409 /nfs/dbraw/zinc/04/14/09/792041409.db2.gz VLGONTBMBONVFY-MGPQQGTHSA-N 2 2 362.496 -1.477 20 0 FAADLP CC(=O)NCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001192014716 792053201 /nfs/dbraw/zinc/05/32/01/792053201.db2.gz RZDBMRPGHOWVME-KFWWJZLASA-N 2 2 358.439 -2.369 20 0 FAADLP CC(=O)NCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001192014716 792053189 /nfs/dbraw/zinc/05/31/89/792053189.db2.gz RZDBMRPGHOWVME-KFWWJZLASA-N 2 2 358.439 -2.369 20 0 FAADLP CC(=O)NCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001192014716 792053181 /nfs/dbraw/zinc/05/31/81/792053181.db2.gz RZDBMRPGHOWVME-KFWWJZLASA-N 2 2 358.439 -2.369 20 0 FAADLP CC(=O)NCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001192014716 792053173 /nfs/dbraw/zinc/05/31/73/792053173.db2.gz RZDBMRPGHOWVME-KFWWJZLASA-N 2 2 358.439 -2.369 20 0 FAADLP CC(=O)NCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001192014717 792054428 /nfs/dbraw/zinc/05/44/28/792054428.db2.gz RZDBMRPGHOWVME-RBSFLKMASA-N 2 2 358.439 -2.369 20 0 FAADLP CC(=O)NCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001192014717 792054415 /nfs/dbraw/zinc/05/44/15/792054415.db2.gz RZDBMRPGHOWVME-RBSFLKMASA-N 2 2 358.439 -2.369 20 0 FAADLP CC(=O)NCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001192014717 792054405 /nfs/dbraw/zinc/05/44/05/792054405.db2.gz RZDBMRPGHOWVME-RBSFLKMASA-N 2 2 358.439 -2.369 20 0 FAADLP CC(=O)NCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001192014717 792054395 /nfs/dbraw/zinc/05/43/95/792054395.db2.gz RZDBMRPGHOWVME-RBSFLKMASA-N 2 2 358.439 -2.369 20 0 FAADLP CC(=O)NCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192639478 792090791 /nfs/dbraw/zinc/09/07/91/792090791.db2.gz ATYZJSUHANLNHI-ZIAGYGMSSA-N 2 2 353.423 -1.344 20 0 FAADLP CC(=O)NCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192639478 792090778 /nfs/dbraw/zinc/09/07/78/792090778.db2.gz ATYZJSUHANLNHI-ZIAGYGMSSA-N 2 2 353.423 -1.344 20 0 FAADLP COCCOC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192640392 792091096 /nfs/dbraw/zinc/09/10/96/792091096.db2.gz WOXRMWXJONXAFS-BFHYXJOUSA-N 2 2 356.423 -1.473 20 0 FAADLP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192640392 792091089 /nfs/dbraw/zinc/09/10/89/792091089.db2.gz WOXRMWXJONXAFS-BFHYXJOUSA-N 2 2 356.423 -1.473 20 0 FAADLP COCCOC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192640393 792090970 /nfs/dbraw/zinc/09/09/70/792090970.db2.gz WOXRMWXJONXAFS-MGPQQGTHSA-N 2 2 356.423 -1.473 20 0 FAADLP COCCOC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192640393 792090960 /nfs/dbraw/zinc/09/09/60/792090960.db2.gz WOXRMWXJONXAFS-MGPQQGTHSA-N 2 2 356.423 -1.473 20 0 FAADLP CS(=O)(=O)NCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001193024345 792113980 /nfs/dbraw/zinc/11/39/80/792113980.db2.gz NOYMYYWREKZXRC-BFHYXJOUSA-N 2 2 360.480 -1.961 20 0 FAADLP CS(=O)(=O)NCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001193024345 792113975 /nfs/dbraw/zinc/11/39/75/792113975.db2.gz NOYMYYWREKZXRC-BFHYXJOUSA-N 2 2 360.480 -1.961 20 0 FAADLP CS(=O)(=O)NCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001193024348 792113466 /nfs/dbraw/zinc/11/34/66/792113466.db2.gz NOYMYYWREKZXRC-MGPQQGTHSA-N 2 2 360.480 -1.961 20 0 FAADLP CS(=O)(=O)NCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001193024348 792113462 /nfs/dbraw/zinc/11/34/62/792113462.db2.gz NOYMYYWREKZXRC-MGPQQGTHSA-N 2 2 360.480 -1.961 20 0 FAADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@H]2O)CC[NH+]1C ZINC001193084914 792114720 /nfs/dbraw/zinc/11/47/20/792114720.db2.gz FBJQZDQMYQRYPC-REWJHTLYSA-N 2 2 362.496 -1.573 20 0 FAADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCNS(C)(=O)=O)C[C@H]2O)CC[NH+]1C ZINC001193084914 792114712 /nfs/dbraw/zinc/11/47/12/792114712.db2.gz FBJQZDQMYQRYPC-REWJHTLYSA-N 2 2 362.496 -1.573 20 0 FAADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCNS(C)(=O)=O)C[C@H]2O)CC[N@H+]1C ZINC001193084914 792114706 /nfs/dbraw/zinc/11/47/06/792114706.db2.gz FBJQZDQMYQRYPC-REWJHTLYSA-N 2 2 362.496 -1.573 20 0 FAADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCNS(C)(=O)=O)C[C@H]2O)CC[N@@H+]1C ZINC001193084914 792114699 /nfs/dbraw/zinc/11/46/99/792114699.db2.gz FBJQZDQMYQRYPC-REWJHTLYSA-N 2 2 362.496 -1.573 20 0 FAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]2O)CC[NH+]1C ZINC001193086171 792115626 /nfs/dbraw/zinc/11/56/26/792115626.db2.gz WGMDWLVLRHBZLG-AAVRWANBSA-N 2 2 362.496 -1.621 20 0 FAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]2O)CC[NH+]1C ZINC001193086171 792115618 /nfs/dbraw/zinc/11/56/18/792115618.db2.gz WGMDWLVLRHBZLG-AAVRWANBSA-N 2 2 362.496 -1.621 20 0 FAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCN(C)S(C)(=O)=O)C[C@H]2O)CC[N@H+]1C ZINC001193086171 792115613 /nfs/dbraw/zinc/11/56/13/792115613.db2.gz WGMDWLVLRHBZLG-AAVRWANBSA-N 2 2 362.496 -1.621 20 0 FAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCN(C)S(C)(=O)=O)C[C@H]2O)CC[N@@H+]1C ZINC001193086171 792115608 /nfs/dbraw/zinc/11/56/08/792115608.db2.gz WGMDWLVLRHBZLG-AAVRWANBSA-N 2 2 362.496 -1.621 20 0 FAADLP COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001193111697 792115521 /nfs/dbraw/zinc/11/55/21/792115521.db2.gz PEPVXWXVEKNMBK-RBSFLKMASA-N 2 2 352.435 -1.070 20 0 FAADLP COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001193111697 792115518 /nfs/dbraw/zinc/11/55/18/792115518.db2.gz PEPVXWXVEKNMBK-RBSFLKMASA-N 2 2 352.435 -1.070 20 0 FAADLP COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001193111704 792115661 /nfs/dbraw/zinc/11/56/61/792115661.db2.gz PEPVXWXVEKNMBK-RRFJBIMHSA-N 2 2 352.435 -1.070 20 0 FAADLP COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001193111704 792115655 /nfs/dbraw/zinc/11/56/55/792115655.db2.gz PEPVXWXVEKNMBK-RRFJBIMHSA-N 2 2 352.435 -1.070 20 0 FAADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001193113073 792115730 /nfs/dbraw/zinc/11/57/30/792115730.db2.gz YOXQBQSQTOBSHS-HUUCEWRRSA-N 2 2 352.435 -1.068 20 0 FAADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001193113073 792115724 /nfs/dbraw/zinc/11/57/24/792115724.db2.gz YOXQBQSQTOBSHS-HUUCEWRRSA-N 2 2 352.435 -1.068 20 0 FAADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001193446859 792130425 /nfs/dbraw/zinc/13/04/25/792130425.db2.gz AOCUGORKCKDNIE-BFHYXJOUSA-N 2 2 359.446 -1.147 20 0 FAADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001193446859 792130419 /nfs/dbraw/zinc/13/04/19/792130419.db2.gz AOCUGORKCKDNIE-BFHYXJOUSA-N 2 2 359.446 -1.147 20 0 FAADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001193446860 792130634 /nfs/dbraw/zinc/13/06/34/792130634.db2.gz AOCUGORKCKDNIE-MGPQQGTHSA-N 2 2 359.446 -1.147 20 0 FAADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001193446860 792130627 /nfs/dbraw/zinc/13/06/27/792130627.db2.gz AOCUGORKCKDNIE-MGPQQGTHSA-N 2 2 359.446 -1.147 20 0 FAADLP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001193755497 792159960 /nfs/dbraw/zinc/15/99/60/792159960.db2.gz LKZSGRIXJMUMDP-QLFBSQMISA-N 2 2 355.439 -2.017 20 0 FAADLP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001193755497 792159952 /nfs/dbraw/zinc/15/99/52/792159952.db2.gz LKZSGRIXJMUMDP-QLFBSQMISA-N 2 2 355.439 -2.017 20 0 FAADLP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001193755501 792159674 /nfs/dbraw/zinc/15/96/74/792159674.db2.gz LKZSGRIXJMUMDP-RBSFLKMASA-N 2 2 355.439 -2.017 20 0 FAADLP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001193755501 792159669 /nfs/dbraw/zinc/15/96/69/792159669.db2.gz LKZSGRIXJMUMDP-RBSFLKMASA-N 2 2 355.439 -2.017 20 0 FAADLP CN(CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1)S(C)(=O)=O ZINC001193765979 792161038 /nfs/dbraw/zinc/16/10/38/792161038.db2.gz MAHWRJWFRSFMQE-CHWSQXEVSA-N 2 2 362.496 -1.477 20 0 FAADLP CN(CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1)S(C)(=O)=O ZINC001193765979 792161035 /nfs/dbraw/zinc/16/10/35/792161035.db2.gz MAHWRJWFRSFMQE-CHWSQXEVSA-N 2 2 362.496 -1.477 20 0 FAADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@H]2O)CCC1 ZINC001193774608 792159209 /nfs/dbraw/zinc/15/92/09/792159209.db2.gz QKLCIIZMFCVWJA-CHWSQXEVSA-N 2 2 352.435 -1.219 20 0 FAADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]2O)CCC1 ZINC001193774833 792158786 /nfs/dbraw/zinc/15/87/86/792158786.db2.gz VOIBWJFPUAQFIX-VXGBXAGGSA-N 2 2 353.423 -1.816 20 0 FAADLP CN(CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1)S(C)(=O)=O ZINC001193782341 792159731 /nfs/dbraw/zinc/15/97/31/792159731.db2.gz XDODSCKANGHRDI-MCIONIFRSA-N 2 2 362.496 -1.621 20 0 FAADLP CN(CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1)S(C)(=O)=O ZINC001193782341 792159724 /nfs/dbraw/zinc/15/97/24/792159724.db2.gz XDODSCKANGHRDI-MCIONIFRSA-N 2 2 362.496 -1.621 20 0 FAADLP CN(CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1)S(C)(=O)=O ZINC001193782342 792159585 /nfs/dbraw/zinc/15/95/85/792159585.db2.gz XDODSCKANGHRDI-MGPQQGTHSA-N 2 2 362.496 -1.621 20 0 FAADLP CN(CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1)S(C)(=O)=O ZINC001193782342 792159580 /nfs/dbraw/zinc/15/95/80/792159580.db2.gz XDODSCKANGHRDI-MGPQQGTHSA-N 2 2 362.496 -1.621 20 0 FAADLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1O)C1CC1 ZINC001193791275 792159810 /nfs/dbraw/zinc/15/98/10/792159810.db2.gz IUAMJUVFOXZUME-IOASZLSFSA-N 2 2 352.435 -1.363 20 0 FAADLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1O)C1CC1 ZINC001193791275 792159804 /nfs/dbraw/zinc/15/98/04/792159804.db2.gz IUAMJUVFOXZUME-IOASZLSFSA-N 2 2 352.435 -1.363 20 0 FAADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1O)C1CC1 ZINC001193791276 792160117 /nfs/dbraw/zinc/16/01/17/792160117.db2.gz IUAMJUVFOXZUME-XJKCOSOUSA-N 2 2 352.435 -1.363 20 0 FAADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1O)C1CC1 ZINC001193791276 792160112 /nfs/dbraw/zinc/16/01/12/792160112.db2.gz IUAMJUVFOXZUME-XJKCOSOUSA-N 2 2 352.435 -1.363 20 0 FAADLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O)C1CC1 ZINC001193791408 792159561 /nfs/dbraw/zinc/15/95/61/792159561.db2.gz LVUMRVFERDJZFD-BZPMIXESSA-N 2 2 353.423 -1.960 20 0 FAADLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O)C1CC1 ZINC001193791408 792159557 /nfs/dbraw/zinc/15/95/57/792159557.db2.gz LVUMRVFERDJZFD-BZPMIXESSA-N 2 2 353.423 -1.960 20 0 FAADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O)C1CC1 ZINC001193791411 792159645 /nfs/dbraw/zinc/15/96/45/792159645.db2.gz LVUMRVFERDJZFD-YRGRVCCFSA-N 2 2 353.423 -1.960 20 0 FAADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O)C1CC1 ZINC001193791411 792159642 /nfs/dbraw/zinc/15/96/42/792159642.db2.gz LVUMRVFERDJZFD-YRGRVCCFSA-N 2 2 353.423 -1.960 20 0 FAADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1O)C1CCC1 ZINC001193804762 792162288 /nfs/dbraw/zinc/16/22/88/792162288.db2.gz FTTQFEOBGIXQLI-ZIAGYGMSSA-N 2 2 352.435 -1.219 20 0 FAADLP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1O)C1CCC1 ZINC001193804762 792162283 /nfs/dbraw/zinc/16/22/83/792162283.db2.gz FTTQFEOBGIXQLI-ZIAGYGMSSA-N 2 2 352.435 -1.219 20 0 FAADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1O)C1CCC1 ZINC001193804762 792162280 /nfs/dbraw/zinc/16/22/80/792162280.db2.gz FTTQFEOBGIXQLI-ZIAGYGMSSA-N 2 2 352.435 -1.219 20 0 FAADLP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1O)C1CCC1 ZINC001193804762 792162276 /nfs/dbraw/zinc/16/22/76/792162276.db2.gz FTTQFEOBGIXQLI-ZIAGYGMSSA-N 2 2 352.435 -1.219 20 0 FAADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1O)C1CCC1 ZINC001193821424 792163177 /nfs/dbraw/zinc/16/31/77/792163177.db2.gz HTALAGFCPHANEK-HUUCEWRRSA-N 2 2 354.451 -1.509 20 0 FAADLP C[NH+](CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1O)C1CCC1 ZINC001193821424 792163167 /nfs/dbraw/zinc/16/31/67/792163167.db2.gz HTALAGFCPHANEK-HUUCEWRRSA-N 2 2 354.451 -1.509 20 0 FAADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1O)C1CCC1 ZINC001193821424 792163160 /nfs/dbraw/zinc/16/31/60/792163160.db2.gz HTALAGFCPHANEK-HUUCEWRRSA-N 2 2 354.451 -1.509 20 0 FAADLP C[N@H+](CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1O)C1CCC1 ZINC001193821424 792163155 /nfs/dbraw/zinc/16/31/55/792163155.db2.gz HTALAGFCPHANEK-HUUCEWRRSA-N 2 2 354.451 -1.509 20 0 FAADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O)C1CCC1 ZINC001193828093 792163427 /nfs/dbraw/zinc/16/34/27/792163427.db2.gz KTNOZSUQSZCQNO-CHWSQXEVSA-N 2 2 353.423 -1.816 20 0 FAADLP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O)C1CCC1 ZINC001193828093 792163424 /nfs/dbraw/zinc/16/34/24/792163424.db2.gz KTNOZSUQSZCQNO-CHWSQXEVSA-N 2 2 353.423 -1.816 20 0 FAADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1O)C1CCC1 ZINC001193828093 792163419 /nfs/dbraw/zinc/16/34/19/792163419.db2.gz KTNOZSUQSZCQNO-CHWSQXEVSA-N 2 2 353.423 -1.816 20 0 FAADLP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1O)C1CCC1 ZINC001193828093 792163413 /nfs/dbraw/zinc/16/34/13/792163413.db2.gz KTNOZSUQSZCQNO-CHWSQXEVSA-N 2 2 353.423 -1.816 20 0 FAADLP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC001193892531 792167107 /nfs/dbraw/zinc/16/71/07/792167107.db2.gz QWYUKVOIHCGFLR-BFHYXJOUSA-N 2 2 362.496 -1.429 20 0 FAADLP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC001193892531 792167101 /nfs/dbraw/zinc/16/71/01/792167101.db2.gz QWYUKVOIHCGFLR-BFHYXJOUSA-N 2 2 362.496 -1.429 20 0 FAADLP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1O ZINC001193892531 792167098 /nfs/dbraw/zinc/16/70/98/792167098.db2.gz QWYUKVOIHCGFLR-BFHYXJOUSA-N 2 2 362.496 -1.429 20 0 FAADLP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1O ZINC001193892531 792167094 /nfs/dbraw/zinc/16/70/94/792167094.db2.gz QWYUKVOIHCGFLR-BFHYXJOUSA-N 2 2 362.496 -1.429 20 0 FAADLP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC001193892532 792166878 /nfs/dbraw/zinc/16/68/78/792166878.db2.gz QWYUKVOIHCGFLR-MGPQQGTHSA-N 2 2 362.496 -1.429 20 0 FAADLP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC001193892532 792166876 /nfs/dbraw/zinc/16/68/76/792166876.db2.gz QWYUKVOIHCGFLR-MGPQQGTHSA-N 2 2 362.496 -1.429 20 0 FAADLP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1O ZINC001193892532 792166871 /nfs/dbraw/zinc/16/68/71/792166871.db2.gz QWYUKVOIHCGFLR-MGPQQGTHSA-N 2 2 362.496 -1.429 20 0 FAADLP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1O ZINC001193892532 792166866 /nfs/dbraw/zinc/16/68/66/792166866.db2.gz QWYUKVOIHCGFLR-MGPQQGTHSA-N 2 2 362.496 -1.429 20 0 FAADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1O)[NH+](C)C ZINC001193928905 792166120 /nfs/dbraw/zinc/16/61/20/792166120.db2.gz CPSQCEDJTJFXPD-IOASZLSFSA-N 2 2 354.451 -1.117 20 0 FAADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1O)[NH+](C)C ZINC001193928905 792166118 /nfs/dbraw/zinc/16/61/18/792166118.db2.gz CPSQCEDJTJFXPD-IOASZLSFSA-N 2 2 354.451 -1.117 20 0 FAADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O)[NH+](C)C ZINC001193960943 792170076 /nfs/dbraw/zinc/17/00/76/792170076.db2.gz JXEZCRVLRCSJEL-BZPMIXESSA-N 2 2 355.439 -1.714 20 0 FAADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O)[NH+](C)C ZINC001193960943 792170071 /nfs/dbraw/zinc/17/00/71/792170071.db2.gz JXEZCRVLRCSJEL-BZPMIXESSA-N 2 2 355.439 -1.714 20 0 FAADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1O)[NH+](C)C ZINC001193961751 792170042 /nfs/dbraw/zinc/17/00/42/792170042.db2.gz XISJSCRUFPBEFC-MCIONIFRSA-N 2 2 364.512 -1.375 20 0 FAADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1O)[NH+](C)C ZINC001193961751 792170038 /nfs/dbraw/zinc/17/00/38/792170038.db2.gz XISJSCRUFPBEFC-MCIONIFRSA-N 2 2 364.512 -1.375 20 0 FAADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCCNS(=O)(=O)CC)C[C@H]1O)[NH+](C)C ZINC001194095403 792178553 /nfs/dbraw/zinc/17/85/53/792178553.db2.gz HAUWCOTUCRMLNA-MGPQQGTHSA-N 2 2 364.512 -1.183 20 0 FAADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCCNS(=O)(=O)CC)C[C@H]1O)[NH+](C)C ZINC001194095403 792178548 /nfs/dbraw/zinc/17/85/48/792178548.db2.gz HAUWCOTUCRMLNA-MGPQQGTHSA-N 2 2 364.512 -1.183 20 0 FAADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1O)[NH+](C)C ZINC001194095761 792178525 /nfs/dbraw/zinc/17/85/25/792178525.db2.gz OVIZNIOXNCADBG-JHJVBQTASA-N 2 2 350.485 -1.621 20 0 FAADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1O)[NH+](C)C ZINC001194095761 792178519 /nfs/dbraw/zinc/17/85/19/792178519.db2.gz OVIZNIOXNCADBG-JHJVBQTASA-N 2 2 350.485 -1.621 20 0 FAADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCCS(=O)(=O)N(C)C)C[C@H]1O)[NH+](C)C ZINC001194095763 792178354 /nfs/dbraw/zinc/17/83/54/792178354.db2.gz OYAOSELQKPUVLN-MGPQQGTHSA-N 2 2 364.512 -1.231 20 0 FAADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCCS(=O)(=O)N(C)C)C[C@H]1O)[NH+](C)C ZINC001194095763 792178345 /nfs/dbraw/zinc/17/83/45/792178345.db2.gz OYAOSELQKPUVLN-MGPQQGTHSA-N 2 2 364.512 -1.231 20 0 FAADLP CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194102314 792179379 /nfs/dbraw/zinc/17/93/79/792179379.db2.gz HKFOJDFHDQGDQA-BFHYXJOUSA-N 2 2 356.467 -1.359 20 0 FAADLP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194102314 792179376 /nfs/dbraw/zinc/17/93/76/792179376.db2.gz HKFOJDFHDQGDQA-BFHYXJOUSA-N 2 2 356.467 -1.359 20 0 FAADLP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194102315 792179458 /nfs/dbraw/zinc/17/94/58/792179458.db2.gz HKFOJDFHDQGDQA-MGPQQGTHSA-N 2 2 356.467 -1.359 20 0 FAADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194102315 792179456 /nfs/dbraw/zinc/17/94/56/792179456.db2.gz HKFOJDFHDQGDQA-MGPQQGTHSA-N 2 2 356.467 -1.359 20 0 FAADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194103162 792179718 /nfs/dbraw/zinc/17/97/18/792179718.db2.gz VTYKWCPWHFPPKB-HZSPNIEDSA-N 2 2 356.467 -1.230 20 0 FAADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194103162 792179713 /nfs/dbraw/zinc/17/97/13/792179713.db2.gz VTYKWCPWHFPPKB-HZSPNIEDSA-N 2 2 356.467 -1.230 20 0 FAADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194103163 792179753 /nfs/dbraw/zinc/17/97/53/792179753.db2.gz VTYKWCPWHFPPKB-MGPQQGTHSA-N 2 2 356.467 -1.230 20 0 FAADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194103163 792179749 /nfs/dbraw/zinc/17/97/49/792179749.db2.gz VTYKWCPWHFPPKB-MGPQQGTHSA-N 2 2 356.467 -1.230 20 0 FAADLP CC(=O)NCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001194119351 792177872 /nfs/dbraw/zinc/17/78/72/792177872.db2.gz UDYOGUMFQGWVHS-BZUAXINKSA-N 2 2 356.467 -1.215 20 0 FAADLP CC(=O)NCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001194119351 792177866 /nfs/dbraw/zinc/17/78/66/792177866.db2.gz UDYOGUMFQGWVHS-BZUAXINKSA-N 2 2 356.467 -1.215 20 0 FAADLP CC(=O)NCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001194119351 792177860 /nfs/dbraw/zinc/17/78/60/792177860.db2.gz UDYOGUMFQGWVHS-BZUAXINKSA-N 2 2 356.467 -1.215 20 0 FAADLP CC(=O)NCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001194119351 792177847 /nfs/dbraw/zinc/17/78/47/792177847.db2.gz UDYOGUMFQGWVHS-BZUAXINKSA-N 2 2 356.467 -1.215 20 0 FAADLP CC(=O)NCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001194119353 792178227 /nfs/dbraw/zinc/17/82/27/792178227.db2.gz UDYOGUMFQGWVHS-OWCLPIDISA-N 2 2 356.467 -1.215 20 0 FAADLP CC(=O)NCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001194119353 792178220 /nfs/dbraw/zinc/17/82/20/792178220.db2.gz UDYOGUMFQGWVHS-OWCLPIDISA-N 2 2 356.467 -1.215 20 0 FAADLP CC(=O)NCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001194119353 792178215 /nfs/dbraw/zinc/17/82/15/792178215.db2.gz UDYOGUMFQGWVHS-OWCLPIDISA-N 2 2 356.467 -1.215 20 0 FAADLP CC(=O)NCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001194119353 792178209 /nfs/dbraw/zinc/17/82/09/792178209.db2.gz UDYOGUMFQGWVHS-OWCLPIDISA-N 2 2 356.467 -1.215 20 0 FAADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1O ZINC001194244425 792191237 /nfs/dbraw/zinc/19/12/37/792191237.db2.gz PFKRBGHXMKTKGQ-CHWSQXEVSA-N 2 2 364.512 -1.231 20 0 FAADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1O ZINC001194244425 792191232 /nfs/dbraw/zinc/19/12/32/792191232.db2.gz PFKRBGHXMKTKGQ-CHWSQXEVSA-N 2 2 364.512 -1.231 20 0 FAADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCN(C)S(C)(=O)=O)C[C@H]1O ZINC001194244425 792191224 /nfs/dbraw/zinc/19/12/24/792191224.db2.gz PFKRBGHXMKTKGQ-CHWSQXEVSA-N 2 2 364.512 -1.231 20 0 FAADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCN(C)S(C)(=O)=O)C[C@H]1O ZINC001194244425 792191222 /nfs/dbraw/zinc/19/12/22/792191222.db2.gz PFKRBGHXMKTKGQ-CHWSQXEVSA-N 2 2 364.512 -1.231 20 0 FAADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001194259044 792190948 /nfs/dbraw/zinc/19/09/48/792190948.db2.gz RAZYDIGUEFKGSD-VXGBXAGGSA-N 2 2 355.439 -1.570 20 0 FAADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001194259044 792190940 /nfs/dbraw/zinc/19/09/40/792190940.db2.gz RAZYDIGUEFKGSD-VXGBXAGGSA-N 2 2 355.439 -1.570 20 0 FAADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001194259044 792190934 /nfs/dbraw/zinc/19/09/34/792190934.db2.gz RAZYDIGUEFKGSD-VXGBXAGGSA-N 2 2 355.439 -1.570 20 0 FAADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001194259044 792190928 /nfs/dbraw/zinc/19/09/28/792190928.db2.gz RAZYDIGUEFKGSD-VXGBXAGGSA-N 2 2 355.439 -1.570 20 0 FAADLP COCCOC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001194720177 792215538 /nfs/dbraw/zinc/21/55/38/792215538.db2.gz IXEZKJJSZLAFDJ-RBSFLKMASA-N 2 2 356.423 -1.623 20 0 FAADLP COCCOC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001194720177 792215533 /nfs/dbraw/zinc/21/55/33/792215533.db2.gz IXEZKJJSZLAFDJ-RBSFLKMASA-N 2 2 356.423 -1.623 20 0 FAADLP COCCOC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001194720179 792216302 /nfs/dbraw/zinc/21/63/02/792216302.db2.gz IXEZKJJSZLAFDJ-RRFJBIMHSA-N 2 2 356.423 -1.623 20 0 FAADLP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001194720179 792216296 /nfs/dbraw/zinc/21/62/96/792216296.db2.gz IXEZKJJSZLAFDJ-RRFJBIMHSA-N 2 2 356.423 -1.623 20 0 FAADLP CC(=O)NCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001194720661 792215901 /nfs/dbraw/zinc/21/59/01/792215901.db2.gz MPWNRGAZVNJAHI-HUUCEWRRSA-N 2 2 353.423 -1.494 20 0 FAADLP CC(=O)NCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001194720661 792215898 /nfs/dbraw/zinc/21/58/98/792215898.db2.gz MPWNRGAZVNJAHI-HUUCEWRRSA-N 2 2 353.423 -1.494 20 0 FAADLP COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001194745513 792214885 /nfs/dbraw/zinc/21/48/85/792214885.db2.gz KCSXLQRSDIDHOC-JGGQBBKZSA-N 2 2 352.435 -1.070 20 0 FAADLP COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001194745513 792214881 /nfs/dbraw/zinc/21/48/81/792214881.db2.gz KCSXLQRSDIDHOC-JGGQBBKZSA-N 2 2 352.435 -1.070 20 0 FAADLP COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001194745514 792215048 /nfs/dbraw/zinc/21/50/48/792215048.db2.gz KCSXLQRSDIDHOC-XNRPHZJLSA-N 2 2 352.435 -1.070 20 0 FAADLP COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001194745514 792215044 /nfs/dbraw/zinc/21/50/44/792215044.db2.gz KCSXLQRSDIDHOC-XNRPHZJLSA-N 2 2 352.435 -1.070 20 0 FAADLP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001194745648 792214844 /nfs/dbraw/zinc/21/48/44/792214844.db2.gz NEMQEUAVABITOZ-GDBMZVCRSA-N 2 2 352.435 -1.068 20 0 FAADLP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001194745648 792214839 /nfs/dbraw/zinc/21/48/39/792214839.db2.gz NEMQEUAVABITOZ-GDBMZVCRSA-N 2 2 352.435 -1.068 20 0 FAADLP CC(=O)NCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195148880 792234999 /nfs/dbraw/zinc/23/49/99/792234999.db2.gz FJUBQMXNBIZGIR-HUUCEWRRSA-N 2 2 353.423 -1.413 20 0 FAADLP CC(=O)NCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195148880 792234990 /nfs/dbraw/zinc/23/49/90/792234990.db2.gz FJUBQMXNBIZGIR-HUUCEWRRSA-N 2 2 353.423 -1.413 20 0 FAADLP COCCOC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195149013 792235725 /nfs/dbraw/zinc/23/57/25/792235725.db2.gz HCUQJANRWGKKAI-RBSFLKMASA-N 2 2 356.423 -1.542 20 0 FAADLP COCCOC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195149013 792235720 /nfs/dbraw/zinc/23/57/20/792235720.db2.gz HCUQJANRWGKKAI-RBSFLKMASA-N 2 2 356.423 -1.542 20 0 FAADLP COCCOC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195149014 792235647 /nfs/dbraw/zinc/23/56/47/792235647.db2.gz HCUQJANRWGKKAI-RRFJBIMHSA-N 2 2 356.423 -1.542 20 0 FAADLP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195149014 792235636 /nfs/dbraw/zinc/23/56/36/792235636.db2.gz HCUQJANRWGKKAI-RRFJBIMHSA-N 2 2 356.423 -1.542 20 0 FAADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@H]2O)CC[NH+]1C ZINC001195593863 792251832 /nfs/dbraw/zinc/25/18/32/792251832.db2.gz CJNBDEQQMOFHOM-IGQOVBAYSA-N 2 2 362.496 -1.573 20 0 FAADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@H+](CCNS(C)(=O)=O)C[C@H]2O)CC[NH+]1C ZINC001195593863 792251823 /nfs/dbraw/zinc/25/18/23/792251823.db2.gz CJNBDEQQMOFHOM-IGQOVBAYSA-N 2 2 362.496 -1.573 20 0 FAADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CCNS(C)(=O)=O)C[C@H]2O)CC[N@H+]1C ZINC001195593863 792251815 /nfs/dbraw/zinc/25/18/15/792251815.db2.gz CJNBDEQQMOFHOM-IGQOVBAYSA-N 2 2 362.496 -1.573 20 0 FAADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CCNS(C)(=O)=O)C[C@H]2O)CC[N@@H+]1C ZINC001195593863 792251808 /nfs/dbraw/zinc/25/18/08/792251808.db2.gz CJNBDEQQMOFHOM-IGQOVBAYSA-N 2 2 362.496 -1.573 20 0 FAADLP COCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001195594752 792252989 /nfs/dbraw/zinc/25/29/89/792252989.db2.gz VCLKSPNLKNOQLF-BZUAXINKSA-N 2 2 359.467 -1.080 20 0 FAADLP COCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001195594752 792252981 /nfs/dbraw/zinc/25/29/81/792252981.db2.gz VCLKSPNLKNOQLF-BZUAXINKSA-N 2 2 359.467 -1.080 20 0 FAADLP COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001195594752 792252971 /nfs/dbraw/zinc/25/29/71/792252971.db2.gz VCLKSPNLKNOQLF-BZUAXINKSA-N 2 2 359.467 -1.080 20 0 FAADLP COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001195594752 792252968 /nfs/dbraw/zinc/25/29/68/792252968.db2.gz VCLKSPNLKNOQLF-BZUAXINKSA-N 2 2 359.467 -1.080 20 0 FAADLP COCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001195594756 792252417 /nfs/dbraw/zinc/25/24/17/792252417.db2.gz VCLKSPNLKNOQLF-OAGGEKHMSA-N 2 2 359.467 -1.080 20 0 FAADLP COCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001195594756 792252411 /nfs/dbraw/zinc/25/24/11/792252411.db2.gz VCLKSPNLKNOQLF-OAGGEKHMSA-N 2 2 359.467 -1.080 20 0 FAADLP COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001195594756 792252408 /nfs/dbraw/zinc/25/24/08/792252408.db2.gz VCLKSPNLKNOQLF-OAGGEKHMSA-N 2 2 359.467 -1.080 20 0 FAADLP COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001195594756 792252401 /nfs/dbraw/zinc/25/24/01/792252401.db2.gz VCLKSPNLKNOQLF-OAGGEKHMSA-N 2 2 359.467 -1.080 20 0 FAADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)CC2 ZINC001195640884 792254845 /nfs/dbraw/zinc/25/48/45/792254845.db2.gz SXAAUQRUIULUGW-FVQBIDKESA-N 2 2 352.435 -1.076 20 0 FAADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)CC2 ZINC001195640884 792254832 /nfs/dbraw/zinc/25/48/32/792254832.db2.gz SXAAUQRUIULUGW-FVQBIDKESA-N 2 2 352.435 -1.076 20 0 FAADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)CC2 ZINC001195640885 792255391 /nfs/dbraw/zinc/25/53/91/792255391.db2.gz SXAAUQRUIULUGW-NUEKZKHPSA-N 2 2 352.435 -1.076 20 0 FAADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)CC2 ZINC001195640885 792255382 /nfs/dbraw/zinc/25/53/82/792255382.db2.gz SXAAUQRUIULUGW-NUEKZKHPSA-N 2 2 352.435 -1.076 20 0 FAADLP CN(CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1)S(C)(=O)=O ZINC001195661025 792257920 /nfs/dbraw/zinc/25/79/20/792257920.db2.gz DWJHMHXGGFJIIM-CHWSQXEVSA-N 2 2 362.496 -1.619 20 0 FAADLP CN(CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1)S(C)(=O)=O ZINC001195661025 792257914 /nfs/dbraw/zinc/25/79/14/792257914.db2.gz DWJHMHXGGFJIIM-CHWSQXEVSA-N 2 2 362.496 -1.619 20 0 FAADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]2O)CC1 ZINC001195677889 792256285 /nfs/dbraw/zinc/25/62/85/792256285.db2.gz WPUZYYWOPIMFIM-BFHYXJOUSA-N 2 2 359.492 -1.076 20 0 FAADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]2O)CC1 ZINC001195677889 792256278 /nfs/dbraw/zinc/25/62/78/792256278.db2.gz WPUZYYWOPIMFIM-BFHYXJOUSA-N 2 2 359.492 -1.076 20 0 FAADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]2O)CC1 ZINC001195677890 792256330 /nfs/dbraw/zinc/25/63/30/792256330.db2.gz WPUZYYWOPIMFIM-MGPQQGTHSA-N 2 2 359.492 -1.076 20 0 FAADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]2O)CC1 ZINC001195677890 792256320 /nfs/dbraw/zinc/25/63/20/792256320.db2.gz WPUZYYWOPIMFIM-MGPQQGTHSA-N 2 2 359.492 -1.076 20 0 FAADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195692094 792258868 /nfs/dbraw/zinc/25/88/68/792258868.db2.gz VIZCUPMQOHBGKD-JHJVBQTASA-N 2 2 357.455 -1.276 20 0 FAADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195692094 792258863 /nfs/dbraw/zinc/25/88/63/792258863.db2.gz VIZCUPMQOHBGKD-JHJVBQTASA-N 2 2 357.455 -1.276 20 0 FAADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195692095 792259064 /nfs/dbraw/zinc/25/90/64/792259064.db2.gz VIZCUPMQOHBGKD-YNEHKIRRSA-N 2 2 357.455 -1.276 20 0 FAADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195692095 792259059 /nfs/dbraw/zinc/25/90/59/792259059.db2.gz VIZCUPMQOHBGKD-YNEHKIRRSA-N 2 2 357.455 -1.276 20 0 FAADLP CN(CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1)S(C)(=O)=O ZINC001195701333 792259078 /nfs/dbraw/zinc/25/90/78/792259078.db2.gz LYROJFPDKLQTDC-CHWSQXEVSA-N 2 2 350.485 -1.619 20 0 FAADLP CN(CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1)S(C)(=O)=O ZINC001195701333 792259076 /nfs/dbraw/zinc/25/90/76/792259076.db2.gz LYROJFPDKLQTDC-CHWSQXEVSA-N 2 2 350.485 -1.619 20 0 FAADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001195701432 792258909 /nfs/dbraw/zinc/25/89/09/792258909.db2.gz MYXOJMIFKBBZRU-ZIAGYGMSSA-N 2 2 362.496 -1.475 20 0 FAADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001195701432 792258905 /nfs/dbraw/zinc/25/89/05/792258905.db2.gz MYXOJMIFKBBZRU-ZIAGYGMSSA-N 2 2 362.496 -1.475 20 0 FAADLP CCS(=O)(=O)NCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708478 792259263 /nfs/dbraw/zinc/25/92/63/792259263.db2.gz OXXVMVGVQICCHB-CHWSQXEVSA-N 2 2 350.485 -1.571 20 0 FAADLP CCS(=O)(=O)NCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708478 792259252 /nfs/dbraw/zinc/25/92/52/792259252.db2.gz OXXVMVGVQICCHB-CHWSQXEVSA-N 2 2 350.485 -1.571 20 0 FAADLP C[C@@H]1CN(C(=O)C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C2)CCO1 ZINC001195709292 792259900 /nfs/dbraw/zinc/25/99/00/792259900.db2.gz ZMDLBLDHMUOMHP-RBSFLKMASA-N 2 2 356.467 -1.263 20 0 FAADLP C[C@@H]1CN(C(=O)C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C2)CCO1 ZINC001195709292 792259896 /nfs/dbraw/zinc/25/98/96/792259896.db2.gz ZMDLBLDHMUOMHP-RBSFLKMASA-N 2 2 356.467 -1.263 20 0 FAADLP C[C@H]1CN(C(=O)C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C2)CCO1 ZINC001195709294 792259639 /nfs/dbraw/zinc/25/96/39/792259639.db2.gz ZMDLBLDHMUOMHP-RRFJBIMHSA-N 2 2 356.467 -1.263 20 0 FAADLP C[C@H]1CN(C(=O)C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C2)CCO1 ZINC001195709294 792259630 /nfs/dbraw/zinc/25/96/30/792259630.db2.gz ZMDLBLDHMUOMHP-RRFJBIMHSA-N 2 2 356.467 -1.263 20 0 FAADLP CN(CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1)S(C)(=O)=O ZINC001195828953 792266423 /nfs/dbraw/zinc/26/64/23/792266423.db2.gz LUXRAHNISYAFFC-ZIAGYGMSSA-N 2 2 362.496 -1.619 20 0 FAADLP CN(CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1)S(C)(=O)=O ZINC001195828953 792266419 /nfs/dbraw/zinc/26/64/19/792266419.db2.gz LUXRAHNISYAFFC-ZIAGYGMSSA-N 2 2 362.496 -1.619 20 0 FAADLP CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195870037 792266407 /nfs/dbraw/zinc/26/64/07/792266407.db2.gz HOIQPGCJHWXCDR-JHJVBQTASA-N 2 2 357.455 -1.278 20 0 FAADLP CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195870037 792266401 /nfs/dbraw/zinc/26/64/01/792266401.db2.gz HOIQPGCJHWXCDR-JHJVBQTASA-N 2 2 357.455 -1.278 20 0 FAADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195870038 792267236 /nfs/dbraw/zinc/26/72/36/792267236.db2.gz HOIQPGCJHWXCDR-YNEHKIRRSA-N 2 2 357.455 -1.278 20 0 FAADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195870038 792267225 /nfs/dbraw/zinc/26/72/25/792267225.db2.gz HOIQPGCJHWXCDR-YNEHKIRRSA-N 2 2 357.455 -1.278 20 0 FAADLP Cn1c(=O)cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C2)n(C)c1=O ZINC001195871188 792267075 /nfs/dbraw/zinc/26/70/75/792267075.db2.gz MSTKFRNLNACGBT-CHWSQXEVSA-N 2 2 353.423 -2.303 20 0 FAADLP Cn1c(=O)cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C2)n(C)c1=O ZINC001195871188 792267066 /nfs/dbraw/zinc/26/70/66/792267066.db2.gz MSTKFRNLNACGBT-CHWSQXEVSA-N 2 2 353.423 -2.303 20 0 FAADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195872026 792267964 /nfs/dbraw/zinc/26/79/64/792267964.db2.gz XBRUWMBGPBTCPD-CYZMBNFOSA-N 2 2 355.439 -1.524 20 0 FAADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195872026 792267951 /nfs/dbraw/zinc/26/79/51/792267951.db2.gz XBRUWMBGPBTCPD-CYZMBNFOSA-N 2 2 355.439 -1.524 20 0 FAADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195872027 792267998 /nfs/dbraw/zinc/26/79/98/792267998.db2.gz XBRUWMBGPBTCPD-RAIGVLPGSA-N 2 2 355.439 -1.524 20 0 FAADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195872027 792267987 /nfs/dbraw/zinc/26/79/87/792267987.db2.gz XBRUWMBGPBTCPD-RAIGVLPGSA-N 2 2 355.439 -1.524 20 0 FAADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1O)[NH+](C)C ZINC001195980704 792269780 /nfs/dbraw/zinc/26/97/80/792269780.db2.gz CPSQCEDJTJFXPD-XJKCOSOUSA-N 2 2 354.451 -1.117 20 0 FAADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1O)[NH+](C)C ZINC001195980704 792269772 /nfs/dbraw/zinc/26/97/72/792269772.db2.gz CPSQCEDJTJFXPD-XJKCOSOUSA-N 2 2 354.451 -1.117 20 0 FAADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O)[NH+](C)C ZINC001195980915 792269849 /nfs/dbraw/zinc/26/98/49/792269849.db2.gz JXEZCRVLRCSJEL-YRGRVCCFSA-N 2 2 355.439 -1.714 20 0 FAADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O)[NH+](C)C ZINC001195980915 792269843 /nfs/dbraw/zinc/26/98/43/792269843.db2.gz JXEZCRVLRCSJEL-YRGRVCCFSA-N 2 2 355.439 -1.714 20 0 FAADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1O)[NH+](C)C ZINC001195981624 792269315 /nfs/dbraw/zinc/26/93/15/792269315.db2.gz XISJSCRUFPBEFC-MGPQQGTHSA-N 2 2 364.512 -1.375 20 0 FAADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1O)[NH+](C)C ZINC001195981624 792269310 /nfs/dbraw/zinc/26/93/10/792269310.db2.gz XISJSCRUFPBEFC-MGPQQGTHSA-N 2 2 364.512 -1.375 20 0 FAADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)C2 ZINC001196167175 792276779 /nfs/dbraw/zinc/27/67/79/792276779.db2.gz CBLRDQFOBYVLJS-FVQBIDKESA-N 2 2 352.435 -1.076 20 0 FAADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)C2 ZINC001196167175 792276768 /nfs/dbraw/zinc/27/67/68/792276768.db2.gz CBLRDQFOBYVLJS-FVQBIDKESA-N 2 2 352.435 -1.076 20 0 FAADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)C2 ZINC001196167180 792277451 /nfs/dbraw/zinc/27/74/51/792277451.db2.gz CBLRDQFOBYVLJS-NUEKZKHPSA-N 2 2 352.435 -1.076 20 0 FAADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)C2 ZINC001196167180 792277444 /nfs/dbraw/zinc/27/74/44/792277444.db2.gz CBLRDQFOBYVLJS-NUEKZKHPSA-N 2 2 352.435 -1.076 20 0 FAADLP C[NH+](CC(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O)CC(C)(C)C ZINC001196206753 792279615 /nfs/dbraw/zinc/27/96/15/792279615.db2.gz GWLFLCYPNHRFNN-FRRDWIJNSA-N 2 2 354.451 -1.069 20 0 FAADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O)CC(C)(C)C ZINC001196206753 792279608 /nfs/dbraw/zinc/27/96/08/792279608.db2.gz GWLFLCYPNHRFNN-FRRDWIJNSA-N 2 2 354.451 -1.069 20 0 FAADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@H]1O)CC(C)(C)C ZINC001196206753 792279602 /nfs/dbraw/zinc/27/96/02/792279602.db2.gz GWLFLCYPNHRFNN-FRRDWIJNSA-N 2 2 354.451 -1.069 20 0 FAADLP C[N@H+](CC(=O)N[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@H]1O)CC(C)(C)C ZINC001196206753 792279594 /nfs/dbraw/zinc/27/95/94/792279594.db2.gz GWLFLCYPNHRFNN-FRRDWIJNSA-N 2 2 354.451 -1.069 20 0 FAADLP C[NH+](CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O)CC(C)(C)C ZINC001196206756 792278836 /nfs/dbraw/zinc/27/88/36/792278836.db2.gz GWLFLCYPNHRFNN-JHJVBQTASA-N 2 2 354.451 -1.069 20 0 FAADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O)CC(C)(C)C ZINC001196206756 792278829 /nfs/dbraw/zinc/27/88/29/792278829.db2.gz GWLFLCYPNHRFNN-JHJVBQTASA-N 2 2 354.451 -1.069 20 0 FAADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O)CC(C)(C)C ZINC001196206756 792278824 /nfs/dbraw/zinc/27/88/24/792278824.db2.gz GWLFLCYPNHRFNN-JHJVBQTASA-N 2 2 354.451 -1.069 20 0 FAADLP C[N@H+](CC(=O)N[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O)CC(C)(C)C ZINC001196206756 792278818 /nfs/dbraw/zinc/27/88/18/792278818.db2.gz GWLFLCYPNHRFNN-JHJVBQTASA-N 2 2 354.451 -1.069 20 0 FAADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1O)CC(C)(C)C ZINC001196221875 792280204 /nfs/dbraw/zinc/28/02/04/792280204.db2.gz BGWDTTIEHHBHGT-CHWSQXEVSA-N 2 2 364.512 -1.325 20 0 FAADLP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1O)CC(C)(C)C ZINC001196221875 792280196 /nfs/dbraw/zinc/28/01/96/792280196.db2.gz BGWDTTIEHHBHGT-CHWSQXEVSA-N 2 2 364.512 -1.325 20 0 FAADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1O)CC(C)(C)C ZINC001196221875 792280186 /nfs/dbraw/zinc/28/01/86/792280186.db2.gz BGWDTTIEHHBHGT-CHWSQXEVSA-N 2 2 364.512 -1.325 20 0 FAADLP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1O)CC(C)(C)C ZINC001196221875 792280175 /nfs/dbraw/zinc/28/01/75/792280175.db2.gz BGWDTTIEHHBHGT-CHWSQXEVSA-N 2 2 364.512 -1.325 20 0 FAADLP C[C@H](C(=O)NC(N)=O)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001196222179 792280088 /nfs/dbraw/zinc/28/00/88/792280088.db2.gz IKYNSRUIKRIYJB-IJLUTSLNSA-N 2 2 357.455 -1.291 20 0 FAADLP C[C@H](C(=O)NC(N)=O)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001196222179 792280081 /nfs/dbraw/zinc/28/00/81/792280081.db2.gz IKYNSRUIKRIYJB-IJLUTSLNSA-N 2 2 357.455 -1.291 20 0 FAADLP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196222179 792280074 /nfs/dbraw/zinc/28/00/74/792280074.db2.gz IKYNSRUIKRIYJB-IJLUTSLNSA-N 2 2 357.455 -1.291 20 0 FAADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196222179 792280068 /nfs/dbraw/zinc/28/00/68/792280068.db2.gz IKYNSRUIKRIYJB-IJLUTSLNSA-N 2 2 357.455 -1.291 20 0 FAADLP C[C@@H](C(=O)NC(N)=O)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001196222180 792280472 /nfs/dbraw/zinc/28/04/72/792280472.db2.gz IKYNSRUIKRIYJB-QJPTWQEYSA-N 2 2 357.455 -1.291 20 0 FAADLP C[C@@H](C(=O)NC(N)=O)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001196222180 792280463 /nfs/dbraw/zinc/28/04/63/792280463.db2.gz IKYNSRUIKRIYJB-QJPTWQEYSA-N 2 2 357.455 -1.291 20 0 FAADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196222180 792280452 /nfs/dbraw/zinc/28/04/52/792280452.db2.gz IKYNSRUIKRIYJB-QJPTWQEYSA-N 2 2 357.455 -1.291 20 0 FAADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196222180 792280443 /nfs/dbraw/zinc/28/04/43/792280443.db2.gz IKYNSRUIKRIYJB-QJPTWQEYSA-N 2 2 357.455 -1.291 20 0 FAADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCNS(=O)(=O)CC)C[C@H]1O)[NH+](C)C ZINC001196267832 792281060 /nfs/dbraw/zinc/28/10/60/792281060.db2.gz HAUWCOTUCRMLNA-HZSPNIEDSA-N 2 2 364.512 -1.183 20 0 FAADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCCNS(=O)(=O)CC)C[C@H]1O)[NH+](C)C ZINC001196267832 792281051 /nfs/dbraw/zinc/28/10/51/792281051.db2.gz HAUWCOTUCRMLNA-HZSPNIEDSA-N 2 2 364.512 -1.183 20 0 FAADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1O)[NH+](C)C ZINC001196268083 792280563 /nfs/dbraw/zinc/28/05/63/792280563.db2.gz OVIZNIOXNCADBG-FRRDWIJNSA-N 2 2 350.485 -1.621 20 0 FAADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1O)[NH+](C)C ZINC001196268083 792280556 /nfs/dbraw/zinc/28/05/56/792280556.db2.gz OVIZNIOXNCADBG-FRRDWIJNSA-N 2 2 350.485 -1.621 20 0 FAADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCS(=O)(=O)N(C)C)C[C@H]1O)[NH+](C)C ZINC001196276383 792283742 /nfs/dbraw/zinc/28/37/42/792283742.db2.gz OYAOSELQKPUVLN-HZSPNIEDSA-N 2 2 364.512 -1.231 20 0 FAADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCCS(=O)(=O)N(C)C)C[C@H]1O)[NH+](C)C ZINC001196276383 792283732 /nfs/dbraw/zinc/28/37/32/792283732.db2.gz OYAOSELQKPUVLN-HZSPNIEDSA-N 2 2 364.512 -1.231 20 0 FAADLP C[C@H](COCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1O)[NH+]1CCCC1 ZINC001196299768 792284396 /nfs/dbraw/zinc/28/43/96/792284396.db2.gz OWJHPAYLASOURZ-RBSFLKMASA-N 2 2 356.467 -1.263 20 0 FAADLP C[C@H](COCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1O)[NH+]1CCCC1 ZINC001196299768 792284393 /nfs/dbraw/zinc/28/43/93/792284393.db2.gz OWJHPAYLASOURZ-RBSFLKMASA-N 2 2 356.467 -1.263 20 0 FAADLP C[C@@H](COCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1O)[NH+]1CCCC1 ZINC001196299770 792285342 /nfs/dbraw/zinc/28/53/42/792285342.db2.gz OWJHPAYLASOURZ-RRFJBIMHSA-N 2 2 356.467 -1.263 20 0 FAADLP C[C@@H](COCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1O)[NH+]1CCCC1 ZINC001196299770 792285334 /nfs/dbraw/zinc/28/53/34/792285334.db2.gz OWJHPAYLASOURZ-RRFJBIMHSA-N 2 2 356.467 -1.263 20 0 FAADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001196638798 792302212 /nfs/dbraw/zinc/30/22/12/792302212.db2.gz YOTQNUBIAARCKR-CYZMBNFOSA-N 2 2 355.439 -1.537 20 0 FAADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001196638798 792302200 /nfs/dbraw/zinc/30/22/00/792302200.db2.gz YOTQNUBIAARCKR-CYZMBNFOSA-N 2 2 355.439 -1.537 20 0 FAADLP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001196638799 792302033 /nfs/dbraw/zinc/30/20/33/792302033.db2.gz YOTQNUBIAARCKR-RAIGVLPGSA-N 2 2 355.439 -1.537 20 0 FAADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001196638799 792302020 /nfs/dbraw/zinc/30/20/20/792302020.db2.gz YOTQNUBIAARCKR-RAIGVLPGSA-N 2 2 355.439 -1.537 20 0 FAADLP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@H]2O)CC1 ZINC001196638810 792302141 /nfs/dbraw/zinc/30/21/41/792302141.db2.gz ZBNHWARMTVTOTF-ZIAGYGMSSA-N 2 2 362.496 -1.571 20 0 FAADLP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](CCNS(C)(=O)=O)C[C@H]2O)CC1 ZINC001196638810 792302130 /nfs/dbraw/zinc/30/21/30/792302130.db2.gz ZBNHWARMTVTOTF-ZIAGYGMSSA-N 2 2 362.496 -1.571 20 0 FAADLP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001196940330 792323253 /nfs/dbraw/zinc/32/32/53/792323253.db2.gz QMDIODYTVNXTRJ-HZPDHXFCSA-N 2 2 359.467 -1.341 20 0 FAADLP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001196940330 792323244 /nfs/dbraw/zinc/32/32/44/792323244.db2.gz QMDIODYTVNXTRJ-HZPDHXFCSA-N 2 2 359.467 -1.341 20 0 FAADLP CN1CCC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)C1=O ZINC001196946095 792323921 /nfs/dbraw/zinc/32/39/21/792323921.db2.gz IWQIHQLAHUQRMQ-QLFBSQMISA-N 2 2 354.451 -1.509 20 0 FAADLP CN1CCC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)C1=O ZINC001196946095 792323910 /nfs/dbraw/zinc/32/39/10/792323910.db2.gz IWQIHQLAHUQRMQ-QLFBSQMISA-N 2 2 354.451 -1.509 20 0 FAADLP CN1CCC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)C1=O ZINC001196946097 792323585 /nfs/dbraw/zinc/32/35/85/792323585.db2.gz IWQIHQLAHUQRMQ-RBSFLKMASA-N 2 2 354.451 -1.509 20 0 FAADLP CN1CCC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)C1=O ZINC001196946097 792323573 /nfs/dbraw/zinc/32/35/73/792323573.db2.gz IWQIHQLAHUQRMQ-RBSFLKMASA-N 2 2 354.451 -1.509 20 0 FAADLP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196953555 792324462 /nfs/dbraw/zinc/32/44/62/792324462.db2.gz FPZKBFWDAJCSQL-QLFBSQMISA-N 2 2 356.467 -1.086 20 0 FAADLP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196953555 792324452 /nfs/dbraw/zinc/32/44/52/792324452.db2.gz FPZKBFWDAJCSQL-QLFBSQMISA-N 2 2 356.467 -1.086 20 0 FAADLP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196953560 792324393 /nfs/dbraw/zinc/32/43/93/792324393.db2.gz FPZKBFWDAJCSQL-RBSFLKMASA-N 2 2 356.467 -1.086 20 0 FAADLP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196953560 792324382 /nfs/dbraw/zinc/32/43/82/792324382.db2.gz FPZKBFWDAJCSQL-RBSFLKMASA-N 2 2 356.467 -1.086 20 0 FAADLP Cn1nccc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196953702 792325114 /nfs/dbraw/zinc/32/51/14/792325114.db2.gz HRZGJJYOGMZQPY-HZPDHXFCSA-N 2 2 351.451 -1.154 20 0 FAADLP Cn1nccc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196953702 792325105 /nfs/dbraw/zinc/32/51/05/792325105.db2.gz HRZGJJYOGMZQPY-HZPDHXFCSA-N 2 2 351.451 -1.154 20 0 FAADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O ZINC001196953904 792325159 /nfs/dbraw/zinc/32/51/59/792325159.db2.gz KLWZIEXSRBLMCO-HUUCEWRRSA-N 2 2 354.451 -1.508 20 0 FAADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O ZINC001196953904 792325152 /nfs/dbraw/zinc/32/51/52/792325152.db2.gz KLWZIEXSRBLMCO-HUUCEWRRSA-N 2 2 354.451 -1.508 20 0 FAADLP Cn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)cn1 ZINC001196954076 792325928 /nfs/dbraw/zinc/32/59/28/792325928.db2.gz PXNSZMNAZXXMHF-HZPDHXFCSA-N 2 2 351.451 -1.154 20 0 FAADLP Cn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)cn1 ZINC001196954076 792325918 /nfs/dbraw/zinc/32/59/18/792325918.db2.gz PXNSZMNAZXXMHF-HZPDHXFCSA-N 2 2 351.451 -1.154 20 0 FAADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001196954462 792326780 /nfs/dbraw/zinc/32/67/80/792326780.db2.gz YDDAXSWAIIUPNH-ZIAGYGMSSA-N 2 2 355.439 -2.105 20 0 FAADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001196954462 792326766 /nfs/dbraw/zinc/32/67/66/792326766.db2.gz YDDAXSWAIIUPNH-ZIAGYGMSSA-N 2 2 355.439 -2.105 20 0 FAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCCS(=O)(=O)N(C)C)C[C@H]1O ZINC001197050062 792330185 /nfs/dbraw/zinc/33/01/85/792330185.db2.gz VBQYUIPPFYFFDF-ZIAGYGMSSA-N 2 2 364.512 -1.229 20 0 FAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCCS(=O)(=O)N(C)C)C[C@H]1O ZINC001197050062 792330173 /nfs/dbraw/zinc/33/01/73/792330173.db2.gz VBQYUIPPFYFFDF-ZIAGYGMSSA-N 2 2 364.512 -1.229 20 0 FAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCCNS(=O)(=O)CC)C[C@H]1O ZINC001197058149 792332457 /nfs/dbraw/zinc/33/24/57/792332457.db2.gz PJMNYTSWCRLTJW-ZIAGYGMSSA-N 2 2 364.512 -1.181 20 0 FAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCCNS(=O)(=O)CC)C[C@H]1O ZINC001197058149 792332449 /nfs/dbraw/zinc/33/24/49/792332449.db2.gz PJMNYTSWCRLTJW-ZIAGYGMSSA-N 2 2 364.512 -1.181 20 0 FAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001197058370 792331905 /nfs/dbraw/zinc/33/19/05/792331905.db2.gz QZNZEIKUQYXSPA-ZIAGYGMSSA-N 2 2 362.496 -1.475 20 0 FAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001197058370 792331894 /nfs/dbraw/zinc/33/18/94/792331894.db2.gz QZNZEIKUQYXSPA-ZIAGYGMSSA-N 2 2 362.496 -1.475 20 0 FAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1O ZINC001197058378 792332810 /nfs/dbraw/zinc/33/28/10/792332810.db2.gz RDBHZCKOWSNHCK-CHWSQXEVSA-N 2 2 350.485 -1.619 20 0 FAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1O ZINC001197058378 792332797 /nfs/dbraw/zinc/33/27/97/792332797.db2.gz RDBHZCKOWSNHCK-CHWSQXEVSA-N 2 2 350.485 -1.619 20 0 FAADLP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2O)CC1 ZINC001197252705 792340933 /nfs/dbraw/zinc/34/09/33/792340933.db2.gz HQFRZAJUMLXFNJ-HUUCEWRRSA-N 2 2 354.451 -1.509 20 0 FAADLP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2O)CC1 ZINC001197252705 792340919 /nfs/dbraw/zinc/34/09/19/792340919.db2.gz HQFRZAJUMLXFNJ-HUUCEWRRSA-N 2 2 354.451 -1.509 20 0 FAADLP CCN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197255740 792341683 /nfs/dbraw/zinc/34/16/83/792341683.db2.gz YHMAZTIRRSCGRW-HUUCEWRRSA-N 2 2 356.467 -1.263 20 0 FAADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197255740 792341678 /nfs/dbraw/zinc/34/16/78/792341678.db2.gz YHMAZTIRRSCGRW-HUUCEWRRSA-N 2 2 356.467 -1.263 20 0 FAADLP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]2O)CC1 ZINC001197319452 792343385 /nfs/dbraw/zinc/34/33/85/792343385.db2.gz IGNRDGOLLZQHRO-QLFBSQMISA-N 2 2 354.451 -1.463 20 0 FAADLP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]2O)CC1 ZINC001197319452 792343374 /nfs/dbraw/zinc/34/33/74/792343374.db2.gz IGNRDGOLLZQHRO-QLFBSQMISA-N 2 2 354.451 -1.463 20 0 FAADLP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]2O)CC1 ZINC001197319453 792343615 /nfs/dbraw/zinc/34/36/15/792343615.db2.gz IGNRDGOLLZQHRO-RBSFLKMASA-N 2 2 354.451 -1.463 20 0 FAADLP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]2O)CC1 ZINC001197319453 792343605 /nfs/dbraw/zinc/34/36/05/792343605.db2.gz IGNRDGOLLZQHRO-RBSFLKMASA-N 2 2 354.451 -1.463 20 0 FAADLP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197319669 792343428 /nfs/dbraw/zinc/34/34/28/792343428.db2.gz NTUWCPCJLVTSKO-BPLDGKMQSA-N 2 2 356.467 -1.265 20 0 FAADLP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197319669 792343423 /nfs/dbraw/zinc/34/34/23/792343423.db2.gz NTUWCPCJLVTSKO-BPLDGKMQSA-N 2 2 356.467 -1.265 20 0 FAADLP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197319670 792343350 /nfs/dbraw/zinc/34/33/50/792343350.db2.gz NTUWCPCJLVTSKO-NWANDNLSSA-N 2 2 356.467 -1.265 20 0 FAADLP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197319670 792343339 /nfs/dbraw/zinc/34/33/39/792343339.db2.gz NTUWCPCJLVTSKO-NWANDNLSSA-N 2 2 356.467 -1.265 20 0 FAADLP CN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)COC3CC[NH+](C)CC3)C2)C1=O ZINC001197319729 792343726 /nfs/dbraw/zinc/34/37/26/792343726.db2.gz QNCJGBUVJKKDOC-QLFBSQMISA-N 2 2 354.451 -1.511 20 0 FAADLP CN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)COC3CC[NH+](C)CC3)C2)C1=O ZINC001197319729 792343716 /nfs/dbraw/zinc/34/37/16/792343716.db2.gz QNCJGBUVJKKDOC-QLFBSQMISA-N 2 2 354.451 -1.511 20 0 FAADLP CN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)COC3CC[NH+](C)CC3)C2)C1=O ZINC001197319731 792343878 /nfs/dbraw/zinc/34/38/78/792343878.db2.gz QNCJGBUVJKKDOC-RBSFLKMASA-N 2 2 354.451 -1.511 20 0 FAADLP CN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)COC3CC[NH+](C)CC3)C2)C1=O ZINC001197319731 792343865 /nfs/dbraw/zinc/34/38/65/792343865.db2.gz QNCJGBUVJKKDOC-RBSFLKMASA-N 2 2 354.451 -1.511 20 0 FAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCNS(=O)(=O)CC)C[C@H]1O ZINC001197493215 792357274 /nfs/dbraw/zinc/35/72/74/792357274.db2.gz GOTGEKRQANKJOR-CHWSQXEVSA-N 2 2 350.485 -1.571 20 0 FAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCNS(=O)(=O)CC)C[C@H]1O ZINC001197493215 792357262 /nfs/dbraw/zinc/35/72/62/792357262.db2.gz GOTGEKRQANKJOR-CHWSQXEVSA-N 2 2 350.485 -1.571 20 0 FAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCNS(=O)(=O)CC)C[C@H]1O ZINC001197493215 792357247 /nfs/dbraw/zinc/35/72/47/792357247.db2.gz GOTGEKRQANKJOR-CHWSQXEVSA-N 2 2 350.485 -1.571 20 0 FAADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCNS(=O)(=O)CC)C[C@H]1O ZINC001197493215 792357237 /nfs/dbraw/zinc/35/72/37/792357237.db2.gz GOTGEKRQANKJOR-CHWSQXEVSA-N 2 2 350.485 -1.571 20 0 FAADLP CCNC(=O)NC(=O)[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001197528914 792356795 /nfs/dbraw/zinc/35/67/95/792356795.db2.gz WMAKUWRAJNNXBW-JHJVBQTASA-N 2 2 357.455 -1.276 20 0 FAADLP CCNC(=O)NC(=O)[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001197528914 792356791 /nfs/dbraw/zinc/35/67/91/792356791.db2.gz WMAKUWRAJNNXBW-JHJVBQTASA-N 2 2 357.455 -1.276 20 0 FAADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001197528914 792356776 /nfs/dbraw/zinc/35/67/76/792356776.db2.gz WMAKUWRAJNNXBW-JHJVBQTASA-N 2 2 357.455 -1.276 20 0 FAADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001197528914 792356763 /nfs/dbraw/zinc/35/67/63/792356763.db2.gz WMAKUWRAJNNXBW-JHJVBQTASA-N 2 2 357.455 -1.276 20 0 FAADLP CCNC(=O)NC(=O)[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001197528920 792357074 /nfs/dbraw/zinc/35/70/74/792357074.db2.gz WMAKUWRAJNNXBW-YNEHKIRRSA-N 2 2 357.455 -1.276 20 0 FAADLP CCNC(=O)NC(=O)[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001197528920 792357056 /nfs/dbraw/zinc/35/70/56/792357056.db2.gz WMAKUWRAJNNXBW-YNEHKIRRSA-N 2 2 357.455 -1.276 20 0 FAADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001197528920 792357047 /nfs/dbraw/zinc/35/70/47/792357047.db2.gz WMAKUWRAJNNXBW-YNEHKIRRSA-N 2 2 357.455 -1.276 20 0 FAADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001197528920 792357036 /nfs/dbraw/zinc/35/70/36/792357036.db2.gz WMAKUWRAJNNXBW-YNEHKIRRSA-N 2 2 357.455 -1.276 20 0 FAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1O ZINC001197536158 792357003 /nfs/dbraw/zinc/35/70/03/792357003.db2.gz MJNJEDYEEUNPIW-RBSFLKMASA-N 2 2 356.467 -1.263 20 0 FAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1O ZINC001197536158 792356992 /nfs/dbraw/zinc/35/69/92/792356992.db2.gz MJNJEDYEEUNPIW-RBSFLKMASA-N 2 2 356.467 -1.263 20 0 FAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1O ZINC001197536158 792356982 /nfs/dbraw/zinc/35/69/82/792356982.db2.gz MJNJEDYEEUNPIW-RBSFLKMASA-N 2 2 356.467 -1.263 20 0 FAADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1O ZINC001197536158 792356969 /nfs/dbraw/zinc/35/69/69/792356969.db2.gz MJNJEDYEEUNPIW-RBSFLKMASA-N 2 2 356.467 -1.263 20 0 FAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1O ZINC001197536159 792357691 /nfs/dbraw/zinc/35/76/91/792357691.db2.gz MJNJEDYEEUNPIW-RRFJBIMHSA-N 2 2 356.467 -1.263 20 0 FAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1O ZINC001197536159 792357678 /nfs/dbraw/zinc/35/76/78/792357678.db2.gz MJNJEDYEEUNPIW-RRFJBIMHSA-N 2 2 356.467 -1.263 20 0 FAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1O ZINC001197536159 792357666 /nfs/dbraw/zinc/35/76/66/792357666.db2.gz MJNJEDYEEUNPIW-RRFJBIMHSA-N 2 2 356.467 -1.263 20 0 FAADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1O ZINC001197536159 792357653 /nfs/dbraw/zinc/35/76/53/792357653.db2.gz MJNJEDYEEUNPIW-RRFJBIMHSA-N 2 2 356.467 -1.263 20 0 FAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1O ZINC001197536164 792357191 /nfs/dbraw/zinc/35/71/91/792357191.db2.gz MQYHSESYPSZGTO-CHWSQXEVSA-N 2 2 350.485 -1.619 20 0 FAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1O ZINC001197536164 792357180 /nfs/dbraw/zinc/35/71/80/792357180.db2.gz MQYHSESYPSZGTO-CHWSQXEVSA-N 2 2 350.485 -1.619 20 0 FAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCN(C)S(C)(=O)=O)C[C@H]1O ZINC001197536164 792357168 /nfs/dbraw/zinc/35/71/68/792357168.db2.gz MQYHSESYPSZGTO-CHWSQXEVSA-N 2 2 350.485 -1.619 20 0 FAADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCN(C)S(C)(=O)=O)C[C@H]1O ZINC001197536164 792357157 /nfs/dbraw/zinc/35/71/57/792357157.db2.gz MQYHSESYPSZGTO-CHWSQXEVSA-N 2 2 350.485 -1.619 20 0 FAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001197536429 792357618 /nfs/dbraw/zinc/35/76/18/792357618.db2.gz SZMKODACXQNDBB-ZIAGYGMSSA-N 2 2 362.496 -1.475 20 0 FAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001197536429 792357610 /nfs/dbraw/zinc/35/76/10/792357610.db2.gz SZMKODACXQNDBB-ZIAGYGMSSA-N 2 2 362.496 -1.475 20 0 FAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001197536429 792357598 /nfs/dbraw/zinc/35/75/98/792357598.db2.gz SZMKODACXQNDBB-ZIAGYGMSSA-N 2 2 362.496 -1.475 20 0 FAADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001197536429 792357585 /nfs/dbraw/zinc/35/75/85/792357585.db2.gz SZMKODACXQNDBB-ZIAGYGMSSA-N 2 2 362.496 -1.475 20 0 FAADLP CC(=O)NCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001197775479 792373981 /nfs/dbraw/zinc/37/39/81/792373981.db2.gz LGQUUCHHYCWFES-HUUCEWRRSA-N 2 2 353.423 -1.723 20 0 FAADLP CC(=O)NCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001197775479 792373977 /nfs/dbraw/zinc/37/39/77/792373977.db2.gz LGQUUCHHYCWFES-HUUCEWRRSA-N 2 2 353.423 -1.723 20 0 FAADLP COCCOC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001197775870 792374103 /nfs/dbraw/zinc/37/41/03/792374103.db2.gz PAZLSYQELFPVLH-RBSFLKMASA-N 2 2 356.423 -1.852 20 0 FAADLP COCCOC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001197775870 792374095 /nfs/dbraw/zinc/37/40/95/792374095.db2.gz PAZLSYQELFPVLH-RBSFLKMASA-N 2 2 356.423 -1.852 20 0 FAADLP COCCOC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001197775874 792375011 /nfs/dbraw/zinc/37/50/11/792375011.db2.gz PAZLSYQELFPVLH-RRFJBIMHSA-N 2 2 356.423 -1.852 20 0 FAADLP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001197775874 792375008 /nfs/dbraw/zinc/37/50/08/792375008.db2.gz PAZLSYQELFPVLH-RRFJBIMHSA-N 2 2 356.423 -1.852 20 0 FAADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1O ZINC001197782997 792375644 /nfs/dbraw/zinc/37/56/44/792375644.db2.gz MHBABFZBWMJMTH-HUUCEWRRSA-N 2 2 356.467 -1.262 20 0 FAADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1O ZINC001197782997 792375635 /nfs/dbraw/zinc/37/56/35/792375635.db2.gz MHBABFZBWMJMTH-HUUCEWRRSA-N 2 2 356.467 -1.262 20 0 FAADLP CCS(=O)(=O)NCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001197792144 792375596 /nfs/dbraw/zinc/37/55/96/792375596.db2.gz KQQTXAKNYOXUOT-BFHYXJOUSA-N 2 2 362.496 -1.571 20 0 FAADLP CCS(=O)(=O)NCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001197792144 792375589 /nfs/dbraw/zinc/37/55/89/792375589.db2.gz KQQTXAKNYOXUOT-BFHYXJOUSA-N 2 2 362.496 -1.571 20 0 FAADLP CCS(=O)(=O)NCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001197792144 792375582 /nfs/dbraw/zinc/37/55/82/792375582.db2.gz KQQTXAKNYOXUOT-BFHYXJOUSA-N 2 2 362.496 -1.571 20 0 FAADLP CCS(=O)(=O)NCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001197792144 792375575 /nfs/dbraw/zinc/37/55/75/792375575.db2.gz KQQTXAKNYOXUOT-BFHYXJOUSA-N 2 2 362.496 -1.571 20 0 FAADLP CCS(=O)(=O)NCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001197792146 792376017 /nfs/dbraw/zinc/37/60/17/792376017.db2.gz KQQTXAKNYOXUOT-MGPQQGTHSA-N 2 2 362.496 -1.571 20 0 FAADLP CCS(=O)(=O)NCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001197792146 792376015 /nfs/dbraw/zinc/37/60/15/792376015.db2.gz KQQTXAKNYOXUOT-MGPQQGTHSA-N 2 2 362.496 -1.571 20 0 FAADLP CCS(=O)(=O)NCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001197792146 792376001 /nfs/dbraw/zinc/37/60/01/792376001.db2.gz KQQTXAKNYOXUOT-MGPQQGTHSA-N 2 2 362.496 -1.571 20 0 FAADLP CCS(=O)(=O)NCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001197792146 792375989 /nfs/dbraw/zinc/37/59/89/792375989.db2.gz KQQTXAKNYOXUOT-MGPQQGTHSA-N 2 2 362.496 -1.571 20 0 FAADLP CN(CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1)S(C)(=O)=O ZINC001197792646 792375334 /nfs/dbraw/zinc/37/53/34/792375334.db2.gz PIFCPMZEDVIHJN-BFHYXJOUSA-N 2 2 362.496 -1.619 20 0 FAADLP CN(CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1)S(C)(=O)=O ZINC001197792646 792375324 /nfs/dbraw/zinc/37/53/24/792375324.db2.gz PIFCPMZEDVIHJN-BFHYXJOUSA-N 2 2 362.496 -1.619 20 0 FAADLP CN(CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1)S(C)(=O)=O ZINC001197792646 792375315 /nfs/dbraw/zinc/37/53/15/792375315.db2.gz PIFCPMZEDVIHJN-BFHYXJOUSA-N 2 2 362.496 -1.619 20 0 FAADLP CN(CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1)S(C)(=O)=O ZINC001197792646 792375307 /nfs/dbraw/zinc/37/53/07/792375307.db2.gz PIFCPMZEDVIHJN-BFHYXJOUSA-N 2 2 362.496 -1.619 20 0 FAADLP CN(CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1)S(C)(=O)=O ZINC001197792647 792375431 /nfs/dbraw/zinc/37/54/31/792375431.db2.gz PIFCPMZEDVIHJN-MGPQQGTHSA-N 2 2 362.496 -1.619 20 0 FAADLP CN(CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1)S(C)(=O)=O ZINC001197792647 792375424 /nfs/dbraw/zinc/37/54/24/792375424.db2.gz PIFCPMZEDVIHJN-MGPQQGTHSA-N 2 2 362.496 -1.619 20 0 FAADLP CN(CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1)S(C)(=O)=O ZINC001197792647 792375418 /nfs/dbraw/zinc/37/54/18/792375418.db2.gz PIFCPMZEDVIHJN-MGPQQGTHSA-N 2 2 362.496 -1.619 20 0 FAADLP CN(CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1)S(C)(=O)=O ZINC001197792647 792375413 /nfs/dbraw/zinc/37/54/13/792375413.db2.gz PIFCPMZEDVIHJN-MGPQQGTHSA-N 2 2 362.496 -1.619 20 0 FAADLP CC(C)NC(=O)NCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001197819384 792377878 /nfs/dbraw/zinc/37/78/78/792377878.db2.gz AVDLPERXUQSQJU-ZIAGYGMSSA-N 2 2 353.467 -1.049 20 0 FAADLP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001197819384 792377864 /nfs/dbraw/zinc/37/78/64/792377864.db2.gz AVDLPERXUQSQJU-ZIAGYGMSSA-N 2 2 353.467 -1.049 20 0 FAADLP C[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)CS(C)(=O)=O ZINC001197819509 792378322 /nfs/dbraw/zinc/37/83/22/792378322.db2.gz FKNPZTWUQXQKAZ-BFHYXJOUSA-N 2 2 359.492 -1.076 20 0 FAADLP C[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)CS(C)(=O)=O ZINC001197819509 792378311 /nfs/dbraw/zinc/37/83/11/792378311.db2.gz FKNPZTWUQXQKAZ-BFHYXJOUSA-N 2 2 359.492 -1.076 20 0 FAADLP C[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)CS(C)(=O)=O ZINC001197819512 792377500 /nfs/dbraw/zinc/37/75/00/792377500.db2.gz FKNPZTWUQXQKAZ-MGPQQGTHSA-N 2 2 359.492 -1.076 20 0 FAADLP C[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)CS(C)(=O)=O ZINC001197819512 792377489 /nfs/dbraw/zinc/37/74/89/792377489.db2.gz FKNPZTWUQXQKAZ-MGPQQGTHSA-N 2 2 359.492 -1.076 20 0 FAADLP CN(CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)S(C)(=O)=O ZINC001197819623 792377698 /nfs/dbraw/zinc/37/76/98/792377698.db2.gz HXLXPUCNWVTCJG-CHWSQXEVSA-N 2 2 360.480 -1.865 20 0 FAADLP CN(CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)S(C)(=O)=O ZINC001197819623 792377691 /nfs/dbraw/zinc/37/76/91/792377691.db2.gz HXLXPUCNWVTCJG-CHWSQXEVSA-N 2 2 360.480 -1.865 20 0 FAADLP CC(C)NC(=O)NCC[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197825232 792378002 /nfs/dbraw/zinc/37/80/02/792378002.db2.gz BZWVUJAGARBPHY-ZIAGYGMSSA-N 2 2 359.471 -1.567 20 0 FAADLP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197825232 792377991 /nfs/dbraw/zinc/37/79/91/792377991.db2.gz BZWVUJAGARBPHY-ZIAGYGMSSA-N 2 2 359.471 -1.567 20 0 FAADLP CN(CC[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1)S(C)(=O)=O ZINC001197825446 792378809 /nfs/dbraw/zinc/37/88/09/792378809.db2.gz DWYAXNQYVBDJMF-CHWSQXEVSA-N 2 2 366.484 -2.383 20 0 FAADLP CN(CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1)S(C)(=O)=O ZINC001197825446 792378798 /nfs/dbraw/zinc/37/87/98/792378798.db2.gz DWYAXNQYVBDJMF-CHWSQXEVSA-N 2 2 366.484 -2.383 20 0 FAADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001197825457 792379122 /nfs/dbraw/zinc/37/91/22/792379122.db2.gz FAPJPJBJKWQASW-BFHYXJOUSA-N 2 2 363.480 -1.839 20 0 FAADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001197825457 792379111 /nfs/dbraw/zinc/37/91/11/792379111.db2.gz FAPJPJBJKWQASW-BFHYXJOUSA-N 2 2 363.480 -1.839 20 0 FAADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001197825458 792379767 /nfs/dbraw/zinc/37/97/67/792379767.db2.gz FAPJPJBJKWQASW-MGPQQGTHSA-N 2 2 363.480 -1.839 20 0 FAADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC001197825458 792379757 /nfs/dbraw/zinc/37/97/57/792379757.db2.gz FAPJPJBJKWQASW-MGPQQGTHSA-N 2 2 363.480 -1.839 20 0 FAADLP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197825811 792378561 /nfs/dbraw/zinc/37/85/61/792378561.db2.gz IUMNUIPQETZGHL-RBSFLKMASA-N 2 2 358.483 -1.019 20 0 FAADLP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197825811 792378549 /nfs/dbraw/zinc/37/85/49/792378549.db2.gz IUMNUIPQETZGHL-RBSFLKMASA-N 2 2 358.483 -1.019 20 0 FAADLP CC(C)N(C)C(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197825815 792378911 /nfs/dbraw/zinc/37/89/11/792378911.db2.gz IUMNUIPQETZGHL-RRFJBIMHSA-N 2 2 358.483 -1.019 20 0 FAADLP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197825815 792378899 /nfs/dbraw/zinc/37/88/99/792378899.db2.gz IUMNUIPQETZGHL-RRFJBIMHSA-N 2 2 358.483 -1.019 20 0 FAADLP CC(C)CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826022 792379409 /nfs/dbraw/zinc/37/94/09/792379409.db2.gz MNEUABSNXFTXHZ-RBSFLKMASA-N 2 2 358.483 -1.113 20 0 FAADLP CC(C)CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826022 792379395 /nfs/dbraw/zinc/37/93/95/792379395.db2.gz MNEUABSNXFTXHZ-RBSFLKMASA-N 2 2 358.483 -1.113 20 0 FAADLP CC(C)CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826023 792379009 /nfs/dbraw/zinc/37/90/09/792379009.db2.gz MNEUABSNXFTXHZ-RRFJBIMHSA-N 2 2 358.483 -1.113 20 0 FAADLP CC(C)CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826023 792379001 /nfs/dbraw/zinc/37/90/01/792379001.db2.gz MNEUABSNXFTXHZ-RRFJBIMHSA-N 2 2 358.483 -1.113 20 0 FAADLP CCN(C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1)C1CC1 ZINC001197826045 792378768 /nfs/dbraw/zinc/37/87/68/792378768.db2.gz NXNLRYBKYKTKFC-HUUCEWRRSA-N 2 2 356.467 -1.263 20 0 FAADLP CCN(C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1)C1CC1 ZINC001197826045 792378761 /nfs/dbraw/zinc/37/87/61/792378761.db2.gz NXNLRYBKYKTKFC-HUUCEWRRSA-N 2 2 356.467 -1.263 20 0 FAADLP CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826230 792379267 /nfs/dbraw/zinc/37/92/67/792379267.db2.gz RMGMWNGJTAGJRT-RBSFLKMASA-N 2 2 358.483 -1.017 20 0 FAADLP CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826230 792379257 /nfs/dbraw/zinc/37/92/57/792379257.db2.gz RMGMWNGJTAGJRT-RBSFLKMASA-N 2 2 358.483 -1.017 20 0 FAADLP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826231 792378854 /nfs/dbraw/zinc/37/88/54/792378854.db2.gz RMGMWNGJTAGJRT-RRFJBIMHSA-N 2 2 358.483 -1.017 20 0 FAADLP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826231 792378842 /nfs/dbraw/zinc/37/88/42/792378842.db2.gz RMGMWNGJTAGJRT-RRFJBIMHSA-N 2 2 358.483 -1.017 20 0 FAADLP CC(C)N1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)C1=O ZINC001197826366 792378674 /nfs/dbraw/zinc/37/86/74/792378674.db2.gz UDUFLNRQDFMQFW-QLFBSQMISA-N 2 2 356.467 -1.265 20 0 FAADLP CC(C)N1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)C1=O ZINC001197826366 792378664 /nfs/dbraw/zinc/37/86/64/792378664.db2.gz UDUFLNRQDFMQFW-QLFBSQMISA-N 2 2 356.467 -1.265 20 0 FAADLP CC(C)N1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)C1=O ZINC001197826368 792378706 /nfs/dbraw/zinc/37/87/06/792378706.db2.gz UDUFLNRQDFMQFW-RBSFLKMASA-N 2 2 356.467 -1.265 20 0 FAADLP CC(C)N1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)C1=O ZINC001197826368 792378696 /nfs/dbraw/zinc/37/86/96/792378696.db2.gz UDUFLNRQDFMQFW-RBSFLKMASA-N 2 2 356.467 -1.265 20 0 FAADLP CN(CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1)S(C)(=O)=O ZINC001197948048 792382762 /nfs/dbraw/zinc/38/27/62/792382762.db2.gz DWOJGVLFRVAEQP-ZIAGYGMSSA-N 2 2 364.512 -1.229 20 0 FAADLP CN(CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1)S(C)(=O)=O ZINC001197948048 792382753 /nfs/dbraw/zinc/38/27/53/792382753.db2.gz DWOJGVLFRVAEQP-ZIAGYGMSSA-N 2 2 364.512 -1.229 20 0 FAADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1O ZINC001197948650 792382620 /nfs/dbraw/zinc/38/26/20/792382620.db2.gz KNXPMAGULZHUJM-HUUCEWRRSA-N 2 2 356.467 -1.262 20 0 FAADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1O ZINC001197948650 792382611 /nfs/dbraw/zinc/38/26/11/792382611.db2.gz KNXPMAGULZHUJM-HUUCEWRRSA-N 2 2 356.467 -1.262 20 0 FAADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197954945 792382511 /nfs/dbraw/zinc/38/25/11/792382511.db2.gz HFSVANJARNJRBW-JHJVBQTASA-N 2 2 357.455 -1.276 20 0 FAADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197954945 792382501 /nfs/dbraw/zinc/38/25/01/792382501.db2.gz HFSVANJARNJRBW-JHJVBQTASA-N 2 2 357.455 -1.276 20 0 FAADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197954946 792382366 /nfs/dbraw/zinc/38/23/66/792382366.db2.gz HFSVANJARNJRBW-YNEHKIRRSA-N 2 2 357.455 -1.276 20 0 FAADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197954946 792382357 /nfs/dbraw/zinc/38/23/57/792382357.db2.gz HFSVANJARNJRBW-YNEHKIRRSA-N 2 2 357.455 -1.276 20 0 FAADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC001197955025 792382930 /nfs/dbraw/zinc/38/29/30/792382930.db2.gz KNGGBENDGMRYOF-CHWSQXEVSA-N 2 2 350.485 -1.571 20 0 FAADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC001197955025 792382927 /nfs/dbraw/zinc/38/29/27/792382927.db2.gz KNGGBENDGMRYOF-CHWSQXEVSA-N 2 2 350.485 -1.571 20 0 FAADLP CCS(=O)(=O)NCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197956071 792382727 /nfs/dbraw/zinc/38/27/27/792382727.db2.gz UTTXWOBASRFLSN-ZIAGYGMSSA-N 2 2 364.512 -1.181 20 0 FAADLP CCS(=O)(=O)NCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197956071 792382718 /nfs/dbraw/zinc/38/27/18/792382718.db2.gz UTTXWOBASRFLSN-ZIAGYGMSSA-N 2 2 364.512 -1.181 20 0 FAADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1O ZINC001198003806 792383877 /nfs/dbraw/zinc/38/38/77/792383877.db2.gz HMGAIFSAKXPJNO-HUUCEWRRSA-N 2 2 356.467 -1.262 20 0 FAADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1O ZINC001198003806 792383870 /nfs/dbraw/zinc/38/38/70/792383870.db2.gz HMGAIFSAKXPJNO-HUUCEWRRSA-N 2 2 356.467 -1.262 20 0 FAADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1O ZINC001198003806 792383861 /nfs/dbraw/zinc/38/38/61/792383861.db2.gz HMGAIFSAKXPJNO-HUUCEWRRSA-N 2 2 356.467 -1.262 20 0 FAADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1O ZINC001198003806 792383850 /nfs/dbraw/zinc/38/38/50/792383850.db2.gz HMGAIFSAKXPJNO-HUUCEWRRSA-N 2 2 356.467 -1.262 20 0 FAADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1O ZINC001198004154 792384042 /nfs/dbraw/zinc/38/40/42/792384042.db2.gz WWNCSGHZVYNVJF-ZIAGYGMSSA-N 2 2 364.512 -1.229 20 0 FAADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1O ZINC001198004154 792384031 /nfs/dbraw/zinc/38/40/31/792384031.db2.gz WWNCSGHZVYNVJF-ZIAGYGMSSA-N 2 2 364.512 -1.229 20 0 FAADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCN(C)S(C)(=O)=O)C[C@H]1O ZINC001198004154 792384022 /nfs/dbraw/zinc/38/40/22/792384022.db2.gz WWNCSGHZVYNVJF-ZIAGYGMSSA-N 2 2 364.512 -1.229 20 0 FAADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCN(C)S(C)(=O)=O)C[C@H]1O ZINC001198004154 792384013 /nfs/dbraw/zinc/38/40/13/792384013.db2.gz WWNCSGHZVYNVJF-ZIAGYGMSSA-N 2 2 364.512 -1.229 20 0 FAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCCNS(=O)(=O)CC)C[C@H]1O ZINC001198028453 792386949 /nfs/dbraw/zinc/38/69/49/792386949.db2.gz AHHCXYAOGCOCHI-ZIAGYGMSSA-N 2 2 364.512 -1.181 20 0 FAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCCNS(=O)(=O)CC)C[C@H]1O ZINC001198028453 792386941 /nfs/dbraw/zinc/38/69/41/792386941.db2.gz AHHCXYAOGCOCHI-ZIAGYGMSSA-N 2 2 364.512 -1.181 20 0 FAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCCNS(=O)(=O)CC)C[C@H]1O ZINC001198028453 792386933 /nfs/dbraw/zinc/38/69/33/792386933.db2.gz AHHCXYAOGCOCHI-ZIAGYGMSSA-N 2 2 364.512 -1.181 20 0 FAADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCCNS(=O)(=O)CC)C[C@H]1O ZINC001198028453 792386923 /nfs/dbraw/zinc/38/69/23/792386923.db2.gz AHHCXYAOGCOCHI-ZIAGYGMSSA-N 2 2 364.512 -1.181 20 0 FAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001198029210 792386862 /nfs/dbraw/zinc/38/68/62/792386862.db2.gz QOBUYSVYWXRBGI-ZIAGYGMSSA-N 2 2 362.496 -1.475 20 0 FAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001198029210 792386858 /nfs/dbraw/zinc/38/68/58/792386858.db2.gz QOBUYSVYWXRBGI-ZIAGYGMSSA-N 2 2 362.496 -1.475 20 0 FAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001198029210 792386848 /nfs/dbraw/zinc/38/68/48/792386848.db2.gz QOBUYSVYWXRBGI-ZIAGYGMSSA-N 2 2 362.496 -1.475 20 0 FAADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001198029210 792386840 /nfs/dbraw/zinc/38/68/40/792386840.db2.gz QOBUYSVYWXRBGI-ZIAGYGMSSA-N 2 2 362.496 -1.475 20 0 FAADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCNS(=O)(=O)CC)C[C@H]1O ZINC001198037913 792388230 /nfs/dbraw/zinc/38/82/30/792388230.db2.gz AUFALXFTRKGYDJ-ZIAGYGMSSA-N 2 2 364.512 -1.181 20 0 FAADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCNS(=O)(=O)CC)C[C@H]1O ZINC001198037913 792388223 /nfs/dbraw/zinc/38/82/23/792388223.db2.gz AUFALXFTRKGYDJ-ZIAGYGMSSA-N 2 2 364.512 -1.181 20 0 FAADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCNS(=O)(=O)CC)C[C@H]1O ZINC001198037913 792388214 /nfs/dbraw/zinc/38/82/14/792388214.db2.gz AUFALXFTRKGYDJ-ZIAGYGMSSA-N 2 2 364.512 -1.181 20 0 FAADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCNS(=O)(=O)CC)C[C@H]1O ZINC001198037913 792388207 /nfs/dbraw/zinc/38/82/07/792388207.db2.gz AUFALXFTRKGYDJ-ZIAGYGMSSA-N 2 2 364.512 -1.181 20 0 FAADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC001198038509 792387772 /nfs/dbraw/zinc/38/77/72/792387772.db2.gz UKUXMKGRCPZJNE-CHWSQXEVSA-N 2 2 350.485 -1.571 20 0 FAADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC001198038509 792387760 /nfs/dbraw/zinc/38/77/60/792387760.db2.gz UKUXMKGRCPZJNE-CHWSQXEVSA-N 2 2 350.485 -1.571 20 0 FAADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1O ZINC001198038509 792387751 /nfs/dbraw/zinc/38/77/51/792387751.db2.gz UKUXMKGRCPZJNE-CHWSQXEVSA-N 2 2 350.485 -1.571 20 0 FAADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1O ZINC001198038509 792387739 /nfs/dbraw/zinc/38/77/39/792387739.db2.gz UKUXMKGRCPZJNE-CHWSQXEVSA-N 2 2 350.485 -1.571 20 0 FAADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NC)C[C@H]1O ZINC001198039018 792387311 /nfs/dbraw/zinc/38/73/11/792387311.db2.gz YOHOVQBCKSGRII-JHJVBQTASA-N 2 2 357.455 -1.276 20 0 FAADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NC)C[C@H]1O ZINC001198039018 792387300 /nfs/dbraw/zinc/38/73/00/792387300.db2.gz YOHOVQBCKSGRII-JHJVBQTASA-N 2 2 357.455 -1.276 20 0 FAADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(=O)NC)C[C@H]1O ZINC001198039018 792387288 /nfs/dbraw/zinc/38/72/88/792387288.db2.gz YOHOVQBCKSGRII-JHJVBQTASA-N 2 2 357.455 -1.276 20 0 FAADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(=O)NC)C[C@H]1O ZINC001198039018 792387276 /nfs/dbraw/zinc/38/72/76/792387276.db2.gz YOHOVQBCKSGRII-JHJVBQTASA-N 2 2 357.455 -1.276 20 0 FAADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]1O ZINC001198039019 792387846 /nfs/dbraw/zinc/38/78/46/792387846.db2.gz YOHOVQBCKSGRII-YNEHKIRRSA-N 2 2 357.455 -1.276 20 0 FAADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]1O ZINC001198039019 792387834 /nfs/dbraw/zinc/38/78/34/792387834.db2.gz YOHOVQBCKSGRII-YNEHKIRRSA-N 2 2 357.455 -1.276 20 0 FAADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]1O ZINC001198039019 792387826 /nfs/dbraw/zinc/38/78/26/792387826.db2.gz YOHOVQBCKSGRII-YNEHKIRRSA-N 2 2 357.455 -1.276 20 0 FAADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]1O ZINC001198039019 792387820 /nfs/dbraw/zinc/38/78/20/792387820.db2.gz YOHOVQBCKSGRII-YNEHKIRRSA-N 2 2 357.455 -1.276 20 0 FAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCCS(=O)(=O)N(C)C)C[C@H]1O ZINC001198047919 792385224 /nfs/dbraw/zinc/38/52/24/792385224.db2.gz OHPIPFRNBIHXCY-ZIAGYGMSSA-N 2 2 364.512 -1.229 20 0 FAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCCS(=O)(=O)N(C)C)C[C@H]1O ZINC001198047919 792385213 /nfs/dbraw/zinc/38/52/13/792385213.db2.gz OHPIPFRNBIHXCY-ZIAGYGMSSA-N 2 2 364.512 -1.229 20 0 FAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCCS(=O)(=O)N(C)C)C[C@H]1O ZINC001198047919 792385207 /nfs/dbraw/zinc/38/52/07/792385207.db2.gz OHPIPFRNBIHXCY-ZIAGYGMSSA-N 2 2 364.512 -1.229 20 0 FAADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCCS(=O)(=O)N(C)C)C[C@H]1O ZINC001198047919 792385199 /nfs/dbraw/zinc/38/51/99/792385199.db2.gz OHPIPFRNBIHXCY-ZIAGYGMSSA-N 2 2 364.512 -1.229 20 0 FAADLP COCCOC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001198133731 792388894 /nfs/dbraw/zinc/38/88/94/792388894.db2.gz JHUWHROGPWRJII-BPLDGKMQSA-N 2 2 356.423 -1.554 20 0 FAADLP COCCOC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001198133731 792388883 /nfs/dbraw/zinc/38/88/83/792388883.db2.gz JHUWHROGPWRJII-BPLDGKMQSA-N 2 2 356.423 -1.554 20 0 FAADLP COCCOC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001198133732 792388838 /nfs/dbraw/zinc/38/88/38/792388838.db2.gz JHUWHROGPWRJII-NWANDNLSSA-N 2 2 356.423 -1.554 20 0 FAADLP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001198133732 792388828 /nfs/dbraw/zinc/38/88/28/792388828.db2.gz JHUWHROGPWRJII-NWANDNLSSA-N 2 2 356.423 -1.554 20 0 FAADLP CC(=O)NCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001198671064 792419438 /nfs/dbraw/zinc/41/94/38/792419438.db2.gz BOKTWWGWYZKRHE-HUUCEWRRSA-N 2 2 353.423 -1.494 20 0 FAADLP CC(=O)NCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001198671064 792419433 /nfs/dbraw/zinc/41/94/33/792419433.db2.gz BOKTWWGWYZKRHE-HUUCEWRRSA-N 2 2 353.423 -1.494 20 0 FAADLP COCCOC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001198671229 792419640 /nfs/dbraw/zinc/41/96/40/792419640.db2.gz CUTCPQHTTKARMM-RBSFLKMASA-N 2 2 356.423 -1.623 20 0 FAADLP COCCOC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001198671229 792419634 /nfs/dbraw/zinc/41/96/34/792419634.db2.gz CUTCPQHTTKARMM-RBSFLKMASA-N 2 2 356.423 -1.623 20 0 FAADLP COCCOC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001198671234 792419669 /nfs/dbraw/zinc/41/96/69/792419669.db2.gz CUTCPQHTTKARMM-RRFJBIMHSA-N 2 2 356.423 -1.623 20 0 FAADLP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001198671234 792419666 /nfs/dbraw/zinc/41/96/66/792419666.db2.gz CUTCPQHTTKARMM-RRFJBIMHSA-N 2 2 356.423 -1.623 20 0 FAADLP CCS(=O)(=O)NCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001198671262 792419861 /nfs/dbraw/zinc/41/98/61/792419861.db2.gz FCYSJLAFFCEGBF-ZIAGYGMSSA-N 2 2 362.496 -1.427 20 0 FAADLP CCS(=O)(=O)NCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001198671262 792419851 /nfs/dbraw/zinc/41/98/51/792419851.db2.gz FCYSJLAFFCEGBF-ZIAGYGMSSA-N 2 2 362.496 -1.427 20 0 FAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1O ZINC001198671653 792419550 /nfs/dbraw/zinc/41/95/50/792419550.db2.gz IOJKKFHRXSANML-CHWSQXEVSA-N 2 2 359.452 -1.756 20 0 FAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1O ZINC001198671653 792419545 /nfs/dbraw/zinc/41/95/45/792419545.db2.gz IOJKKFHRXSANML-CHWSQXEVSA-N 2 2 359.452 -1.756 20 0 FAADLP CN(C)S(=O)(=O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001198673279 792419574 /nfs/dbraw/zinc/41/95/74/792419574.db2.gz ZDTNOMSPINSCIG-ZIAGYGMSSA-N 2 2 362.496 -1.475 20 0 FAADLP CN(C)S(=O)(=O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001198673279 792419568 /nfs/dbraw/zinc/41/95/68/792419568.db2.gz ZDTNOMSPINSCIG-ZIAGYGMSSA-N 2 2 362.496 -1.475 20 0 FAADLP CCN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001198690132 792418159 /nfs/dbraw/zinc/41/81/59/792418159.db2.gz VGVZONIBGOCHQQ-RBSFLKMASA-N 2 2 356.467 -1.406 20 0 FAADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001198690132 792418151 /nfs/dbraw/zinc/41/81/51/792418151.db2.gz VGVZONIBGOCHQQ-RBSFLKMASA-N 2 2 356.467 -1.406 20 0 FAADLP CCN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001198690133 792418545 /nfs/dbraw/zinc/41/85/45/792418545.db2.gz VGVZONIBGOCHQQ-RRFJBIMHSA-N 2 2 356.467 -1.406 20 0 FAADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001198690133 792418535 /nfs/dbraw/zinc/41/85/35/792418535.db2.gz VGVZONIBGOCHQQ-RRFJBIMHSA-N 2 2 356.467 -1.406 20 0 FAADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001198698799 792418676 /nfs/dbraw/zinc/41/86/76/792418676.db2.gz FKKMROSUIWCCEI-RBSFLKMASA-N 2 2 352.439 -1.592 20 0 FAADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001198698799 792418672 /nfs/dbraw/zinc/41/86/72/792418672.db2.gz FKKMROSUIWCCEI-RBSFLKMASA-N 2 2 352.439 -1.592 20 0 FAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001198698802 792418246 /nfs/dbraw/zinc/41/82/46/792418246.db2.gz FKKMROSUIWCCEI-RRFJBIMHSA-N 2 2 352.439 -1.592 20 0 FAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001198698802 792418236 /nfs/dbraw/zinc/41/82/36/792418236.db2.gz FKKMROSUIWCCEI-RRFJBIMHSA-N 2 2 352.439 -1.592 20 0 FAADLP COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001198699407 792418948 /nfs/dbraw/zinc/41/89/48/792418948.db2.gz PWTKHRAFEDOEGP-ARFHVFGLSA-N 2 2 359.467 -1.221 20 0 FAADLP COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001198699407 792418939 /nfs/dbraw/zinc/41/89/39/792418939.db2.gz PWTKHRAFEDOEGP-ARFHVFGLSA-N 2 2 359.467 -1.221 20 0 FAADLP COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001198699408 792417958 /nfs/dbraw/zinc/41/79/58/792417958.db2.gz PWTKHRAFEDOEGP-BZUAXINKSA-N 2 2 359.467 -1.221 20 0 FAADLP COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001198699408 792417939 /nfs/dbraw/zinc/41/79/39/792417939.db2.gz PWTKHRAFEDOEGP-BZUAXINKSA-N 2 2 359.467 -1.221 20 0 FAADLP CS(=O)(=O)NCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023377 792439317 /nfs/dbraw/zinc/43/93/17/792439317.db2.gz GMYYAAOPHVPKHZ-ZIAGYGMSSA-N 2 2 362.496 -1.427 20 0 FAADLP CS(=O)(=O)NCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023377 792439311 /nfs/dbraw/zinc/43/93/11/792439311.db2.gz GMYYAAOPHVPKHZ-ZIAGYGMSSA-N 2 2 362.496 -1.427 20 0 FAADLP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023930 792438963 /nfs/dbraw/zinc/43/89/63/792438963.db2.gz UYZVYXLFOMNDDC-JHJVBQTASA-N 2 2 355.439 -1.393 20 0 FAADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023930 792438958 /nfs/dbraw/zinc/43/89/58/792438958.db2.gz UYZVYXLFOMNDDC-JHJVBQTASA-N 2 2 355.439 -1.393 20 0 FAADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023931 792439446 /nfs/dbraw/zinc/43/94/46/792439446.db2.gz UYZVYXLFOMNDDC-YNEHKIRRSA-N 2 2 355.439 -1.393 20 0 FAADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023931 792439440 /nfs/dbraw/zinc/43/94/40/792439440.db2.gz UYZVYXLFOMNDDC-YNEHKIRRSA-N 2 2 355.439 -1.393 20 0 FAADLP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001199023990 792439340 /nfs/dbraw/zinc/43/93/40/792439340.db2.gz XDMVGLMPSUKFET-HZSPNIEDSA-N 2 2 352.435 -1.171 20 0 FAADLP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001199023990 792439335 /nfs/dbraw/zinc/43/93/35/792439335.db2.gz XDMVGLMPSUKFET-HZSPNIEDSA-N 2 2 352.435 -1.171 20 0 FAADLP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001199023993 792438827 /nfs/dbraw/zinc/43/88/27/792438827.db2.gz XDMVGLMPSUKFET-MGPQQGTHSA-N 2 2 352.435 -1.171 20 0 FAADLP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001199023993 792438821 /nfs/dbraw/zinc/43/88/21/792438821.db2.gz XDMVGLMPSUKFET-MGPQQGTHSA-N 2 2 352.435 -1.171 20 0 FAADLP CS(=O)(=O)NCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199057460 792443780 /nfs/dbraw/zinc/44/37/80/792443780.db2.gz KCGUXBUHFSWGJA-ZIAGYGMSSA-N 2 2 362.496 -1.427 20 0 FAADLP CS(=O)(=O)NCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199057460 792443775 /nfs/dbraw/zinc/44/37/75/792443775.db2.gz KCGUXBUHFSWGJA-ZIAGYGMSSA-N 2 2 362.496 -1.427 20 0 FAADLP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199057812 792443933 /nfs/dbraw/zinc/44/39/33/792443933.db2.gz UQVDUJNLLLKCTE-JHJVBQTASA-N 2 2 355.439 -1.393 20 0 FAADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199057812 792443931 /nfs/dbraw/zinc/44/39/31/792443931.db2.gz UQVDUJNLLLKCTE-JHJVBQTASA-N 2 2 355.439 -1.393 20 0 FAADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199057813 792443616 /nfs/dbraw/zinc/44/36/16/792443616.db2.gz UQVDUJNLLLKCTE-YNEHKIRRSA-N 2 2 355.439 -1.393 20 0 FAADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199057813 792443611 /nfs/dbraw/zinc/44/36/11/792443611.db2.gz UQVDUJNLLLKCTE-YNEHKIRRSA-N 2 2 355.439 -1.393 20 0 FAADLP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001199071203 792445083 /nfs/dbraw/zinc/44/50/83/792445083.db2.gz NYNQZOAFLDMJGQ-HZSPNIEDSA-N 2 2 352.435 -1.171 20 0 FAADLP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001199071203 792445079 /nfs/dbraw/zinc/44/50/79/792445079.db2.gz NYNQZOAFLDMJGQ-HZSPNIEDSA-N 2 2 352.435 -1.171 20 0 FAADLP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001199071204 792444787 /nfs/dbraw/zinc/44/47/87/792444787.db2.gz NYNQZOAFLDMJGQ-MGPQQGTHSA-N 2 2 352.435 -1.171 20 0 FAADLP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1O ZINC001199071204 792444780 /nfs/dbraw/zinc/44/47/80/792444780.db2.gz NYNQZOAFLDMJGQ-MGPQQGTHSA-N 2 2 352.435 -1.171 20 0 FAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001199104301 792447906 /nfs/dbraw/zinc/44/79/06/792447906.db2.gz KAHFICZVWYEEER-ZIAGYGMSSA-N 2 2 362.496 -1.477 20 0 FAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001199104301 792447904 /nfs/dbraw/zinc/44/79/04/792447904.db2.gz KAHFICZVWYEEER-ZIAGYGMSSA-N 2 2 362.496 -1.477 20 0 FAADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001199104301 792447903 /nfs/dbraw/zinc/44/79/03/792447903.db2.gz KAHFICZVWYEEER-ZIAGYGMSSA-N 2 2 362.496 -1.477 20 0 FAADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001199104301 792447902 /nfs/dbraw/zinc/44/79/02/792447902.db2.gz KAHFICZVWYEEER-ZIAGYGMSSA-N 2 2 362.496 -1.477 20 0 FAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCCS(=O)(=O)N(C)C)C[C@H]1O ZINC001199111585 792450243 /nfs/dbraw/zinc/45/02/43/792450243.db2.gz BXMJGEKGGNRIIY-ZIAGYGMSSA-N 2 2 364.512 -1.231 20 0 FAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCCS(=O)(=O)N(C)C)C[C@H]1O ZINC001199111585 792450238 /nfs/dbraw/zinc/45/02/38/792450238.db2.gz BXMJGEKGGNRIIY-ZIAGYGMSSA-N 2 2 364.512 -1.231 20 0 FAADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCCS(=O)(=O)N(C)C)C[C@H]1O ZINC001199111585 792450232 /nfs/dbraw/zinc/45/02/32/792450232.db2.gz BXMJGEKGGNRIIY-ZIAGYGMSSA-N 2 2 364.512 -1.231 20 0 FAADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCCS(=O)(=O)N(C)C)C[C@H]1O ZINC001199111585 792450225 /nfs/dbraw/zinc/45/02/25/792450225.db2.gz BXMJGEKGGNRIIY-ZIAGYGMSSA-N 2 2 364.512 -1.231 20 0 FAADLP CCS(=O)(=O)NCCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001199111647 792449986 /nfs/dbraw/zinc/44/99/86/792449986.db2.gz FYRZVLCYMORQOY-ZIAGYGMSSA-N 2 2 364.512 -1.183 20 0 FAADLP CCS(=O)(=O)NCCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001199111647 792449982 /nfs/dbraw/zinc/44/99/82/792449982.db2.gz FYRZVLCYMORQOY-ZIAGYGMSSA-N 2 2 364.512 -1.183 20 0 FAADLP CCS(=O)(=O)NCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199111647 792449977 /nfs/dbraw/zinc/44/99/77/792449977.db2.gz FYRZVLCYMORQOY-ZIAGYGMSSA-N 2 2 364.512 -1.183 20 0 FAADLP CCS(=O)(=O)NCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199111647 792449973 /nfs/dbraw/zinc/44/99/73/792449973.db2.gz FYRZVLCYMORQOY-ZIAGYGMSSA-N 2 2 364.512 -1.183 20 0 FAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1O ZINC001199111652 792449945 /nfs/dbraw/zinc/44/99/45/792449945.db2.gz GFMVEDBLXYVYLB-CHWSQXEVSA-N 2 2 350.485 -1.621 20 0 FAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1O ZINC001199111652 792449942 /nfs/dbraw/zinc/44/99/42/792449942.db2.gz GFMVEDBLXYVYLB-CHWSQXEVSA-N 2 2 350.485 -1.621 20 0 FAADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCN(C)S(C)(=O)=O)C[C@H]1O ZINC001199111652 792449933 /nfs/dbraw/zinc/44/99/33/792449933.db2.gz GFMVEDBLXYVYLB-CHWSQXEVSA-N 2 2 350.485 -1.621 20 0 FAADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCN(C)S(C)(=O)=O)C[C@H]1O ZINC001199111652 792449930 /nfs/dbraw/zinc/44/99/30/792449930.db2.gz GFMVEDBLXYVYLB-CHWSQXEVSA-N 2 2 350.485 -1.621 20 0 FAADLP C[NH+]1CCN(c2cc[nH+]cc2C(=O)N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)CC1 ZINC001199359738 792456188 /nfs/dbraw/zinc/45/61/88/792456188.db2.gz HUOUJFHMHGKEAS-CUBALJKWSA-N 2 2 350.419 -1.334 20 0 FAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](C[C@@H](O)COCC(F)(F)F)C[C@H]1O ZINC001199405738 792458460 /nfs/dbraw/zinc/45/84/60/792458460.db2.gz KJPVNJOWJUGCKD-IJLUTSLNSA-N 2 2 366.340 -1.016 20 0 FAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](C[C@@H](O)COCC(F)(F)F)C[C@H]1O ZINC001199405738 792458455 /nfs/dbraw/zinc/45/84/55/792458455.db2.gz KJPVNJOWJUGCKD-IJLUTSLNSA-N 2 2 366.340 -1.016 20 0 FAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](C[C@H](O)COCC(F)(F)F)C[C@H]1O ZINC001199405743 792458309 /nfs/dbraw/zinc/45/83/09/792458309.db2.gz KJPVNJOWJUGCKD-QJPTWQEYSA-N 2 2 366.340 -1.016 20 0 FAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](C[C@H](O)COCC(F)(F)F)C[C@H]1O ZINC001199405743 792458306 /nfs/dbraw/zinc/45/83/06/792458306.db2.gz KJPVNJOWJUGCKD-QJPTWQEYSA-N 2 2 366.340 -1.016 20 0 FAADLP CC(=O)NCCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001206739211 792933717 /nfs/dbraw/zinc/93/37/17/792933717.db2.gz AUUIMJZIUKXLJO-BMFZPTHFSA-N 2 2 356.467 -1.094 20 0 FAADLP CC(=O)NCCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001206739211 792933710 /nfs/dbraw/zinc/93/37/10/792933710.db2.gz AUUIMJZIUKXLJO-BMFZPTHFSA-N 2 2 356.467 -1.094 20 0 FAADLP CC(=O)NCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001206739211 792933708 /nfs/dbraw/zinc/93/37/08/792933708.db2.gz AUUIMJZIUKXLJO-BMFZPTHFSA-N 2 2 356.467 -1.094 20 0 FAADLP CC(=O)NCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001206739211 792933703 /nfs/dbraw/zinc/93/37/03/792933703.db2.gz AUUIMJZIUKXLJO-BMFZPTHFSA-N 2 2 356.467 -1.094 20 0 FAADLP CC(=O)NCCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001206739212 792934172 /nfs/dbraw/zinc/93/41/72/792934172.db2.gz AUUIMJZIUKXLJO-FVQBIDKESA-N 2 2 356.467 -1.094 20 0 FAADLP CC(=O)NCCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001206739212 792934170 /nfs/dbraw/zinc/93/41/70/792934170.db2.gz AUUIMJZIUKXLJO-FVQBIDKESA-N 2 2 356.467 -1.094 20 0 FAADLP CC(=O)NCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001206739212 792934168 /nfs/dbraw/zinc/93/41/68/792934168.db2.gz AUUIMJZIUKXLJO-FVQBIDKESA-N 2 2 356.467 -1.094 20 0 FAADLP CC(=O)NCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001206739212 792934164 /nfs/dbraw/zinc/93/41/64/792934164.db2.gz AUUIMJZIUKXLJO-FVQBIDKESA-N 2 2 356.467 -1.094 20 0 FAADLP C[C@@H]1C[NH+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001206739917 792935565 /nfs/dbraw/zinc/93/55/65/792935565.db2.gz WSPUHWQKDYJNAZ-MCIONIFRSA-N 2 2 362.496 -1.355 20 0 FAADLP C[C@@H]1C[NH+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001206739917 792935562 /nfs/dbraw/zinc/93/55/62/792935562.db2.gz WSPUHWQKDYJNAZ-MCIONIFRSA-N 2 2 362.496 -1.355 20 0 FAADLP C[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001206739917 792935558 /nfs/dbraw/zinc/93/55/58/792935558.db2.gz WSPUHWQKDYJNAZ-MCIONIFRSA-N 2 2 362.496 -1.355 20 0 FAADLP C[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001206739917 792935554 /nfs/dbraw/zinc/93/55/54/792935554.db2.gz WSPUHWQKDYJNAZ-MCIONIFRSA-N 2 2 362.496 -1.355 20 0 FAADLP C[C@@H]1C[NH+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001206739918 792935959 /nfs/dbraw/zinc/93/59/59/792935959.db2.gz WSPUHWQKDYJNAZ-MGPQQGTHSA-N 2 2 362.496 -1.355 20 0 FAADLP C[C@@H]1C[NH+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001206739918 792935954 /nfs/dbraw/zinc/93/59/54/792935954.db2.gz WSPUHWQKDYJNAZ-MGPQQGTHSA-N 2 2 362.496 -1.355 20 0 FAADLP C[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001206739918 792935948 /nfs/dbraw/zinc/93/59/48/792935948.db2.gz WSPUHWQKDYJNAZ-MGPQQGTHSA-N 2 2 362.496 -1.355 20 0 FAADLP C[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001206739918 792935943 /nfs/dbraw/zinc/93/59/43/792935943.db2.gz WSPUHWQKDYJNAZ-MGPQQGTHSA-N 2 2 362.496 -1.355 20 0 FAADLP C[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001207686672 792950085 /nfs/dbraw/zinc/95/00/85/792950085.db2.gz KGVGZMIHFUDKKV-AAVRWANBSA-N 2 2 362.496 -1.309 20 0 FAADLP C[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001207686672 792950078 /nfs/dbraw/zinc/95/00/78/792950078.db2.gz KGVGZMIHFUDKKV-AAVRWANBSA-N 2 2 362.496 -1.309 20 0 FAADLP C[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001207686672 792950070 /nfs/dbraw/zinc/95/00/70/792950070.db2.gz KGVGZMIHFUDKKV-AAVRWANBSA-N 2 2 362.496 -1.309 20 0 FAADLP C[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001207686672 792950066 /nfs/dbraw/zinc/95/00/66/792950066.db2.gz KGVGZMIHFUDKKV-AAVRWANBSA-N 2 2 362.496 -1.309 20 0 FAADLP CNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001207687064 792950606 /nfs/dbraw/zinc/95/06/06/792950606.db2.gz YQSYXPWIZLDANA-FDYHWXHSSA-N 2 2 355.439 -1.402 20 0 FAADLP CNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001207687064 792950601 /nfs/dbraw/zinc/95/06/01/792950601.db2.gz YQSYXPWIZLDANA-FDYHWXHSSA-N 2 2 355.439 -1.402 20 0 FAADLP CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001207687064 792950593 /nfs/dbraw/zinc/95/05/93/792950593.db2.gz YQSYXPWIZLDANA-FDYHWXHSSA-N 2 2 355.439 -1.402 20 0 FAADLP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001207687064 792950590 /nfs/dbraw/zinc/95/05/90/792950590.db2.gz YQSYXPWIZLDANA-FDYHWXHSSA-N 2 2 355.439 -1.402 20 0 FAADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCNC(=O)C2)C[C@H]1C)[NH+](C)C ZINC001207703282 792950009 /nfs/dbraw/zinc/95/00/09/792950009.db2.gz VPYJPYOLKXTREI-MGPQQGTHSA-N 2 2 353.467 -1.279 20 0 FAADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCNC(=O)C2)C[C@H]1C)[NH+](C)C ZINC001207703282 792950000 /nfs/dbraw/zinc/95/00/00/792950000.db2.gz VPYJPYOLKXTREI-MGPQQGTHSA-N 2 2 353.467 -1.279 20 0 FAADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]2C)C1 ZINC001208405479 792966826 /nfs/dbraw/zinc/96/68/26/792966826.db2.gz YTGGNFUIVYSXRX-JHJVBQTASA-N 2 2 355.439 -1.273 20 0 FAADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]2C)C1 ZINC001208405479 792966817 /nfs/dbraw/zinc/96/68/17/792966817.db2.gz YTGGNFUIVYSXRX-JHJVBQTASA-N 2 2 355.439 -1.273 20 0 FAADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]2C)C1 ZINC001208405479 792966810 /nfs/dbraw/zinc/96/68/10/792966810.db2.gz YTGGNFUIVYSXRX-JHJVBQTASA-N 2 2 355.439 -1.273 20 0 FAADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]2C)C1 ZINC001208405479 792966805 /nfs/dbraw/zinc/96/68/05/792966805.db2.gz YTGGNFUIVYSXRX-JHJVBQTASA-N 2 2 355.439 -1.273 20 0 FAADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]2C)C1 ZINC001208405480 792966465 /nfs/dbraw/zinc/96/64/65/792966465.db2.gz YTGGNFUIVYSXRX-UPJWGTAASA-N 2 2 355.439 -1.273 20 0 FAADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]2C)C1 ZINC001208405480 792966459 /nfs/dbraw/zinc/96/64/59/792966459.db2.gz YTGGNFUIVYSXRX-UPJWGTAASA-N 2 2 355.439 -1.273 20 0 FAADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]2C)C1 ZINC001208405480 792966452 /nfs/dbraw/zinc/96/64/52/792966452.db2.gz YTGGNFUIVYSXRX-UPJWGTAASA-N 2 2 355.439 -1.273 20 0 FAADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]2C)C1 ZINC001208405480 792966445 /nfs/dbraw/zinc/96/64/45/792966445.db2.gz YTGGNFUIVYSXRX-UPJWGTAASA-N 2 2 355.439 -1.273 20 0 FAADLP 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CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCNC(=O)C2)C[C@H]1C)[NH+](C)C ZINC001208699826 792970769 /nfs/dbraw/zinc/97/07/69/792970769.db2.gz VPYJPYOLKXTREI-MCIONIFRSA-N 2 2 353.467 -1.279 20 0 FAADLP C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209506450 792980498 /nfs/dbraw/zinc/98/04/98/792980498.db2.gz KWWKJYSFIHQZRN-MCIONIFRSA-N 2 2 352.435 -1.050 20 0 FAADLP C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209506450 792980493 /nfs/dbraw/zinc/98/04/93/792980493.db2.gz KWWKJYSFIHQZRN-MCIONIFRSA-N 2 2 352.435 -1.050 20 0 FAADLP C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209506451 792980892 /nfs/dbraw/zinc/98/08/92/792980892.db2.gz KWWKJYSFIHQZRN-MGPQQGTHSA-N 2 2 352.435 -1.050 20 0 FAADLP C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209506451 792980884 /nfs/dbraw/zinc/98/08/84/792980884.db2.gz KWWKJYSFIHQZRN-MGPQQGTHSA-N 2 2 352.435 -1.050 20 0 FAADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209513867 792980295 /nfs/dbraw/zinc/98/02/95/792980295.db2.gz FGYCCEINCGGISS-FRRDWIJNSA-N 2 2 355.439 -1.271 20 0 FAADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209513867 792980290 /nfs/dbraw/zinc/98/02/90/792980290.db2.gz FGYCCEINCGGISS-FRRDWIJNSA-N 2 2 355.439 -1.271 20 0 FAADLP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209513868 792980225 /nfs/dbraw/zinc/98/02/25/792980225.db2.gz FGYCCEINCGGISS-JHJVBQTASA-N 2 2 355.439 -1.271 20 0 FAADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209513868 792980223 /nfs/dbraw/zinc/98/02/23/792980223.db2.gz FGYCCEINCGGISS-JHJVBQTASA-N 2 2 355.439 -1.271 20 0 FAADLP C[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209514137 792980847 /nfs/dbraw/zinc/98/08/47/792980847.db2.gz HTNUTNQIDVOIBQ-ZIAGYGMSSA-N 2 2 362.496 -1.306 20 0 FAADLP C[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209514137 792980840 /nfs/dbraw/zinc/98/08/40/792980840.db2.gz HTNUTNQIDVOIBQ-ZIAGYGMSSA-N 2 2 362.496 -1.306 20 0 FAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCNC(=O)C2)C[C@H]1C ZINC001209634892 792982355 /nfs/dbraw/zinc/98/23/55/792982355.db2.gz LDTWFIQIHWFZSK-ZIAGYGMSSA-N 2 2 353.467 -1.277 20 0 FAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCNC(=O)C2)C[C@H]1C ZINC001209634892 792982343 /nfs/dbraw/zinc/98/23/43/792982343.db2.gz LDTWFIQIHWFZSK-ZIAGYGMSSA-N 2 2 353.467 -1.277 20 0 FAADLP CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210314998 792988247 /nfs/dbraw/zinc/98/82/47/792988247.db2.gz HVOZSGIVWLTEBD-CHWSQXEVSA-N 2 2 357.455 -1.153 20 0 FAADLP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210314998 792988241 /nfs/dbraw/zinc/98/82/41/792988241.db2.gz HVOZSGIVWLTEBD-CHWSQXEVSA-N 2 2 357.455 -1.153 20 0 FAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCNC(=O)C2)C[C@H]1C ZINC001210513278 792989686 /nfs/dbraw/zinc/98/96/86/792989686.db2.gz GULVYMBELCSLJK-ZIAGYGMSSA-N 2 2 353.467 -1.277 20 0 FAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCNC(=O)C2)C[C@H]1C ZINC001210513278 792989679 /nfs/dbraw/zinc/98/96/79/792989679.db2.gz GULVYMBELCSLJK-ZIAGYGMSSA-N 2 2 353.467 -1.277 20 0 FAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCNC(=O)C2)C[C@H]1C ZINC001210513278 792989671 /nfs/dbraw/zinc/98/96/71/792989671.db2.gz GULVYMBELCSLJK-ZIAGYGMSSA-N 2 2 353.467 -1.277 20 0 FAADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCNC(=O)C2)C[C@H]1C ZINC001210513278 792989668 /nfs/dbraw/zinc/98/96/68/792989668.db2.gz GULVYMBELCSLJK-ZIAGYGMSSA-N 2 2 353.467 -1.277 20 0 FAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001211046388 792996784 /nfs/dbraw/zinc/99/67/84/792996784.db2.gz NYERBIBPMVWSDF-FRRDWIJNSA-N 2 2 355.439 -1.414 20 0 FAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001211046388 792996781 /nfs/dbraw/zinc/99/67/81/792996781.db2.gz NYERBIBPMVWSDF-FRRDWIJNSA-N 2 2 355.439 -1.414 20 0 FAADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001211046393 792996593 /nfs/dbraw/zinc/99/65/93/792996593.db2.gz NYERBIBPMVWSDF-JHJVBQTASA-N 2 2 355.439 -1.414 20 0 FAADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001211046393 792996586 /nfs/dbraw/zinc/99/65/86/792996586.db2.gz NYERBIBPMVWSDF-JHJVBQTASA-N 2 2 355.439 -1.414 20 0 FAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@H]2C)C1 ZINC001211191885 792998966 /nfs/dbraw/zinc/99/89/66/792998966.db2.gz VDNHJWNRAFMMSF-MCIONIFRSA-N 2 2 362.496 -1.307 20 0 FAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCNS(C)(=O)=O)C[C@H]2C)C1 ZINC001211191885 792998958 /nfs/dbraw/zinc/99/89/58/792998958.db2.gz VDNHJWNRAFMMSF-MCIONIFRSA-N 2 2 362.496 -1.307 20 0 FAADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCNS(C)(=O)=O)C[C@H]2C)C1 ZINC001211191885 792998951 /nfs/dbraw/zinc/99/89/51/792998951.db2.gz VDNHJWNRAFMMSF-MCIONIFRSA-N 2 2 362.496 -1.307 20 0 FAADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCNS(C)(=O)=O)C[C@H]2C)C1 ZINC001211191885 792998944 /nfs/dbraw/zinc/99/89/44/792998944.db2.gz VDNHJWNRAFMMSF-MCIONIFRSA-N 2 2 362.496 -1.307 20 0 FAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@H]2C)C1 ZINC001211191886 792999081 /nfs/dbraw/zinc/99/90/81/792999081.db2.gz VDNHJWNRAFMMSF-MGPQQGTHSA-N 2 2 362.496 -1.307 20 0 FAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCNS(C)(=O)=O)C[C@H]2C)C1 ZINC001211191886 792999072 /nfs/dbraw/zinc/99/90/72/792999072.db2.gz VDNHJWNRAFMMSF-MGPQQGTHSA-N 2 2 362.496 -1.307 20 0 FAADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCNS(C)(=O)=O)C[C@H]2C)C1 ZINC001211191886 792999065 /nfs/dbraw/zinc/99/90/65/792999065.db2.gz VDNHJWNRAFMMSF-MGPQQGTHSA-N 2 2 362.496 -1.307 20 0 FAADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCNS(C)(=O)=O)C[C@H]2C)C1 ZINC001211191886 792999055 /nfs/dbraw/zinc/99/90/55/792999055.db2.gz VDNHJWNRAFMMSF-MGPQQGTHSA-N 2 2 362.496 -1.307 20 0 FAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCNC(=O)C2)C[C@H]1C ZINC001211370132 793002407 /nfs/dbraw/zinc/00/24/07/793002407.db2.gz YIRWLPZXIADXIV-ZIAGYGMSSA-N 2 2 353.467 -1.279 20 0 FAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCNC(=O)C2)C[C@H]1C ZINC001211370132 793002400 /nfs/dbraw/zinc/00/24/00/793002400.db2.gz YIRWLPZXIADXIV-ZIAGYGMSSA-N 2 2 353.467 -1.279 20 0 FAADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCNC(=O)C2)C[C@H]1C ZINC001211370132 793002391 /nfs/dbraw/zinc/00/23/91/793002391.db2.gz YIRWLPZXIADXIV-ZIAGYGMSSA-N 2 2 353.467 -1.279 20 0 FAADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCNC(=O)C2)C[C@H]1C ZINC001211370132 793002384 /nfs/dbraw/zinc/00/23/84/793002384.db2.gz YIRWLPZXIADXIV-ZIAGYGMSSA-N 2 2 353.467 -1.279 20 0 FAADLP CO[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001212297816 790482666 /nfs/dbraw/zinc/48/26/66/790482666.db2.gz MBUSVMCSBXGTAR-AAVRWANBSA-N 2 2 362.496 -1.309 20 0 FAADLP CO[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001212297816 790482663 /nfs/dbraw/zinc/48/26/63/790482663.db2.gz MBUSVMCSBXGTAR-AAVRWANBSA-N 2 2 362.496 -1.309 20 0 FAADLP CO[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001212297816 790482647 /nfs/dbraw/zinc/48/26/47/790482647.db2.gz MBUSVMCSBXGTAR-AAVRWANBSA-N 2 2 362.496 -1.309 20 0 FAADLP CO[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001212297816 790482644 /nfs/dbraw/zinc/48/26/44/790482644.db2.gz MBUSVMCSBXGTAR-AAVRWANBSA-N 2 2 362.496 -1.309 20 0 FAADLP CO[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212407834 790513581 /nfs/dbraw/zinc/51/35/81/790513581.db2.gz GANVBRZDDZHNFA-IJLUTSLNSA-N 2 2 355.439 -1.131 20 0 FAADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212407834 790513574 /nfs/dbraw/zinc/51/35/74/790513574.db2.gz GANVBRZDDZHNFA-IJLUTSLNSA-N 2 2 355.439 -1.131 20 0 FAADLP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212407836 790514269 /nfs/dbraw/zinc/51/42/69/790514269.db2.gz GANVBRZDDZHNFA-QJPTWQEYSA-N 2 2 355.439 -1.131 20 0 FAADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212407836 790514262 /nfs/dbraw/zinc/51/42/62/790514262.db2.gz GANVBRZDDZHNFA-QJPTWQEYSA-N 2 2 355.439 -1.131 20 0 FAADLP CO[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212408208 790514305 /nfs/dbraw/zinc/51/43/05/790514305.db2.gz OWJDDNVPTZFOOO-CHWSQXEVSA-N 2 2 362.496 -1.165 20 0 FAADLP CO[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212408208 790514301 /nfs/dbraw/zinc/51/43/01/790514301.db2.gz OWJDDNVPTZFOOO-CHWSQXEVSA-N 2 2 362.496 -1.165 20 0 FAADLP CO[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001212412593 790513780 /nfs/dbraw/zinc/51/37/80/790513780.db2.gz WTPLCJVJNZACNA-MCIONIFRSA-N 2 2 362.496 -1.309 20 0 FAADLP CO[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001212412593 790513774 /nfs/dbraw/zinc/51/37/74/790513774.db2.gz WTPLCJVJNZACNA-MCIONIFRSA-N 2 2 362.496 -1.309 20 0 FAADLP CO[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001212412594 790513499 /nfs/dbraw/zinc/51/34/99/790513499.db2.gz WTPLCJVJNZACNA-MGPQQGTHSA-N 2 2 362.496 -1.309 20 0 FAADLP CO[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001212412594 790513487 /nfs/dbraw/zinc/51/34/87/790513487.db2.gz WTPLCJVJNZACNA-MGPQQGTHSA-N 2 2 362.496 -1.309 20 0 FAADLP CO[C@@H]1C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001212418897 790513882 /nfs/dbraw/zinc/51/38/82/790513882.db2.gz QJZGAPWNWOFAJG-CYZMBNFOSA-N 2 2 355.439 -1.131 20 0 FAADLP CO[C@@H]1C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001212418897 790513873 /nfs/dbraw/zinc/51/38/73/790513873.db2.gz QJZGAPWNWOFAJG-CYZMBNFOSA-N 2 2 355.439 -1.131 20 0 FAADLP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212418897 790513867 /nfs/dbraw/zinc/51/38/67/790513867.db2.gz QJZGAPWNWOFAJG-CYZMBNFOSA-N 2 2 355.439 -1.131 20 0 FAADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212418897 790513859 /nfs/dbraw/zinc/51/38/59/790513859.db2.gz QJZGAPWNWOFAJG-CYZMBNFOSA-N 2 2 355.439 -1.131 20 0 FAADLP CO[C@@H]1C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001212418902 790514027 /nfs/dbraw/zinc/51/40/27/790514027.db2.gz QJZGAPWNWOFAJG-RAIGVLPGSA-N 2 2 355.439 -1.131 20 0 FAADLP CO[C@@H]1C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001212418902 790514018 /nfs/dbraw/zinc/51/40/18/790514018.db2.gz QJZGAPWNWOFAJG-RAIGVLPGSA-N 2 2 355.439 -1.131 20 0 FAADLP CO[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212418902 790514014 /nfs/dbraw/zinc/51/40/14/790514014.db2.gz QJZGAPWNWOFAJG-RAIGVLPGSA-N 2 2 355.439 -1.131 20 0 FAADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212418902 790514008 /nfs/dbraw/zinc/51/40/08/790514008.db2.gz QJZGAPWNWOFAJG-RAIGVLPGSA-N 2 2 355.439 -1.131 20 0 FAADLP CO[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001212437000 790521213 /nfs/dbraw/zinc/52/12/13/790521213.db2.gz VFMVLJIGSBODIV-MCIONIFRSA-N 2 2 364.512 -1.063 20 0 FAADLP CO[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001212437000 790521205 /nfs/dbraw/zinc/52/12/05/790521205.db2.gz VFMVLJIGSBODIV-MCIONIFRSA-N 2 2 364.512 -1.063 20 0 FAADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1OC)[NH+](C)C ZINC001212463089 790527678 /nfs/dbraw/zinc/52/76/78/790527678.db2.gz RAHICYQKZDFFEN-JHJVBQTASA-N 2 2 355.439 -1.306 20 0 FAADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1OC)[NH+](C)C ZINC001212463089 790527676 /nfs/dbraw/zinc/52/76/76/790527676.db2.gz RAHICYQKZDFFEN-JHJVBQTASA-N 2 2 355.439 -1.306 20 0 FAADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1OC)[NH+](C)C ZINC001212463142 790528244 /nfs/dbraw/zinc/52/82/44/790528244.db2.gz SHQDACQOFITQOA-JHJVBQTASA-N 2 2 350.485 -1.309 20 0 FAADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1OC)[NH+](C)C ZINC001212463142 790528239 /nfs/dbraw/zinc/52/82/39/790528239.db2.gz SHQDACQOFITQOA-JHJVBQTASA-N 2 2 350.485 -1.309 20 0 FAADLP CO[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001213329130 793017349 /nfs/dbraw/zinc/01/73/49/793017349.db2.gz SBQKXEPYKIERGA-BZUAXINKSA-N 2 2 359.467 -1.080 20 0 FAADLP CO[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001213329130 793017341 /nfs/dbraw/zinc/01/73/41/793017341.db2.gz SBQKXEPYKIERGA-BZUAXINKSA-N 2 2 359.467 -1.080 20 0 FAADLP CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001213329130 793017330 /nfs/dbraw/zinc/01/73/30/793017330.db2.gz SBQKXEPYKIERGA-BZUAXINKSA-N 2 2 359.467 -1.080 20 0 FAADLP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001213329130 793017322 /nfs/dbraw/zinc/01/73/22/793017322.db2.gz SBQKXEPYKIERGA-BZUAXINKSA-N 2 2 359.467 -1.080 20 0 FAADLP CO[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001213329131 793017153 /nfs/dbraw/zinc/01/71/53/793017153.db2.gz SBQKXEPYKIERGA-OAGGEKHMSA-N 2 2 359.467 -1.080 20 0 FAADLP CO[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001213329131 793017143 /nfs/dbraw/zinc/01/71/43/793017143.db2.gz SBQKXEPYKIERGA-OAGGEKHMSA-N 2 2 359.467 -1.080 20 0 FAADLP CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001213329131 793017139 /nfs/dbraw/zinc/01/71/39/793017139.db2.gz SBQKXEPYKIERGA-OAGGEKHMSA-N 2 2 359.467 -1.080 20 0 FAADLP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001213329131 793017130 /nfs/dbraw/zinc/01/71/30/793017130.db2.gz SBQKXEPYKIERGA-OAGGEKHMSA-N 2 2 359.467 -1.080 20 0 FAADLP CO[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342057 793018272 /nfs/dbraw/zinc/01/82/72/793018272.db2.gz FGICCLZJUADNEP-IJLUTSLNSA-N 2 2 355.439 -1.273 20 0 FAADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342057 793018263 /nfs/dbraw/zinc/01/82/63/793018263.db2.gz FGICCLZJUADNEP-IJLUTSLNSA-N 2 2 355.439 -1.273 20 0 FAADLP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342058 793017310 /nfs/dbraw/zinc/01/73/10/793017310.db2.gz FGICCLZJUADNEP-QJPTWQEYSA-N 2 2 355.439 -1.273 20 0 FAADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342058 793017299 /nfs/dbraw/zinc/01/72/99/793017299.db2.gz FGICCLZJUADNEP-QJPTWQEYSA-N 2 2 355.439 -1.273 20 0 FAADLP CO[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342443 793018025 /nfs/dbraw/zinc/01/80/25/793018025.db2.gz XPOWLQDCXAWKDB-FRRDWIJNSA-N 2 2 352.435 -1.051 20 0 FAADLP CO[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342443 793018011 /nfs/dbraw/zinc/01/80/11/793018011.db2.gz XPOWLQDCXAWKDB-FRRDWIJNSA-N 2 2 352.435 -1.051 20 0 FAADLP CO[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342444 793017662 /nfs/dbraw/zinc/01/76/62/793017662.db2.gz XPOWLQDCXAWKDB-JHJVBQTASA-N 2 2 352.435 -1.051 20 0 FAADLP CO[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342444 793017661 /nfs/dbraw/zinc/01/76/61/793017661.db2.gz XPOWLQDCXAWKDB-JHJVBQTASA-N 2 2 352.435 -1.051 20 0 FAADLP CO[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342469 793017760 /nfs/dbraw/zinc/01/77/60/793017760.db2.gz YXGPYXPFTZBNIJ-CHWSQXEVSA-N 2 2 362.496 -1.307 20 0 FAADLP CO[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342469 793017747 /nfs/dbraw/zinc/01/77/47/793017747.db2.gz YXGPYXPFTZBNIJ-CHWSQXEVSA-N 2 2 362.496 -1.307 20 0 FAADLP CO[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346398 793019361 /nfs/dbraw/zinc/01/93/61/793019361.db2.gz LAHHNSFGOBHDOD-CHWSQXEVSA-N 2 2 350.485 -1.307 20 0 FAADLP CO[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346398 793019356 /nfs/dbraw/zinc/01/93/56/793019356.db2.gz LAHHNSFGOBHDOD-CHWSQXEVSA-N 2 2 350.485 -1.307 20 0 FAADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213346412 793018674 /nfs/dbraw/zinc/01/86/74/793018674.db2.gz LQDQOPJRIVEGSV-JHJVBQTASA-N 2 2 357.455 -1.012 20 0 FAADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213346412 793018660 /nfs/dbraw/zinc/01/86/60/793018660.db2.gz LQDQOPJRIVEGSV-JHJVBQTASA-N 2 2 357.455 -1.012 20 0 FAADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213346413 793018464 /nfs/dbraw/zinc/01/84/64/793018464.db2.gz LQDQOPJRIVEGSV-YNEHKIRRSA-N 2 2 357.455 -1.012 20 0 FAADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213346413 793018453 /nfs/dbraw/zinc/01/84/53/793018453.db2.gz LQDQOPJRIVEGSV-YNEHKIRRSA-N 2 2 357.455 -1.012 20 0 FAADLP CO[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001213369053 793022494 /nfs/dbraw/zinc/02/24/94/793022494.db2.gz LBIPECILLAUTSJ-ZIAGYGMSSA-N 2 2 362.496 -1.307 20 0 FAADLP CO[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001213369053 793022484 /nfs/dbraw/zinc/02/24/84/793022484.db2.gz LBIPECILLAUTSJ-ZIAGYGMSSA-N 2 2 362.496 -1.307 20 0 FAADLP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001213369175 793022038 /nfs/dbraw/zinc/02/20/38/793022038.db2.gz NZWAZPVWEIHEKZ-CYZMBNFOSA-N 2 2 355.439 -1.273 20 0 FAADLP 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CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213371234 793022537 /nfs/dbraw/zinc/02/25/37/793022537.db2.gz VIQWRPNNAFOSPY-YNEHKIRRSA-N 2 2 357.455 -1.012 20 0 FAADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213371234 793022528 /nfs/dbraw/zinc/02/25/28/793022528.db2.gz VIQWRPNNAFOSPY-YNEHKIRRSA-N 2 2 357.455 -1.012 20 0 FAADLP CO[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213377005 793022223 /nfs/dbraw/zinc/02/22/23/793022223.db2.gz SNTSTYAUOTULFS-ZIAGYGMSSA-N 2 2 362.496 -1.211 20 0 FAADLP CO[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213377005 793022215 /nfs/dbraw/zinc/02/22/15/793022215.db2.gz SNTSTYAUOTULFS-ZIAGYGMSSA-N 2 2 362.496 -1.211 20 0 FAADLP CO[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213377127 793022351 /nfs/dbraw/zinc/02/23/51/793022351.db2.gz ZJUOGJSRDHJAIT-CHWSQXEVSA-N 2 2 350.485 -1.355 20 0 FAADLP 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CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1OC ZINC001213598636 793040262 /nfs/dbraw/zinc/04/02/62/793040262.db2.gz JULQJBWTXYECJH-CHWSQXEVSA-N 2 2 355.439 -1.305 20 0 FAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1OC ZINC001213598636 793040251 /nfs/dbraw/zinc/04/02/51/793040251.db2.gz JULQJBWTXYECJH-CHWSQXEVSA-N 2 2 355.439 -1.305 20 0 FAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1OC ZINC001213598702 793041061 /nfs/dbraw/zinc/04/10/61/793041061.db2.gz LHIGDEQMKMYMHG-CHWSQXEVSA-N 2 2 350.485 -1.307 20 0 FAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1OC ZINC001213598702 793041054 /nfs/dbraw/zinc/04/10/54/793041054.db2.gz LHIGDEQMKMYMHG-CHWSQXEVSA-N 2 2 350.485 -1.307 20 0 FAADLP CO[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213638666 793044051 /nfs/dbraw/zinc/04/40/51/793044051.db2.gz YYIOPMSZFQKFBN-QLFBSQMISA-N 2 2 354.451 -1.199 20 0 FAADLP CO[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 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362.496 -1.307 20 0 FAADLP CO[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001213721609 793052208 /nfs/dbraw/zinc/05/22/08/793052208.db2.gz XADNWQNKAJYIDZ-MGPQQGTHSA-N 2 2 362.496 -1.307 20 0 FAADLP CO[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001213721609 793052197 /nfs/dbraw/zinc/05/21/97/793052197.db2.gz XADNWQNKAJYIDZ-MGPQQGTHSA-N 2 2 362.496 -1.307 20 0 FAADLP CO[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001213728735 793052485 /nfs/dbraw/zinc/05/24/85/793052485.db2.gz QXAPCKUPBPDLIU-CHWSQXEVSA-N 2 2 360.480 -1.553 20 0 FAADLP CO[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001213728735 793052478 /nfs/dbraw/zinc/05/24/78/793052478.db2.gz QXAPCKUPBPDLIU-CHWSQXEVSA-N 2 2 360.480 -1.553 20 0 FAADLP CO[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001213728868 793053821 /nfs/dbraw/zinc/05/38/21/793053821.db2.gz XLQCDJYSEOSKPK-IJLUTSLNSA-N 2 2 353.423 -1.519 20 0 FAADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001213728868 793053819 /nfs/dbraw/zinc/05/38/19/793053819.db2.gz XLQCDJYSEOSKPK-IJLUTSLNSA-N 2 2 353.423 -1.519 20 0 FAADLP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001213728869 793053730 /nfs/dbraw/zinc/05/37/30/793053730.db2.gz XLQCDJYSEOSKPK-QJPTWQEYSA-N 2 2 353.423 -1.519 20 0 FAADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001213728869 793053722 /nfs/dbraw/zinc/05/37/22/793053722.db2.gz XLQCDJYSEOSKPK-QJPTWQEYSA-N 2 2 353.423 -1.519 20 0 FAADLP CO[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730263 793053618 /nfs/dbraw/zinc/05/36/18/793053618.db2.gz KLCCECQHMMUMDD-CHWSQXEVSA-N 2 2 366.484 -2.071 20 0 FAADLP CO[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730263 793053613 /nfs/dbraw/zinc/05/36/13/793053613.db2.gz KLCCECQHMMUMDD-CHWSQXEVSA-N 2 2 366.484 -2.071 20 0 FAADLP CO[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730322 793054144 /nfs/dbraw/zinc/05/41/44/793054144.db2.gz LIMGPGRVSPTBNC-HUUCEWRRSA-N 2 2 356.467 -1.094 20 0 FAADLP CO[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730322 793054134 /nfs/dbraw/zinc/05/41/34/793054134.db2.gz LIMGPGRVSPTBNC-HUUCEWRRSA-N 2 2 356.467 -1.094 20 0 FAADLP CO[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730524 793054117 /nfs/dbraw/zinc/05/41/17/793054117.db2.gz PXZKMEBCBSXABO-IJLUTSLNSA-N 2 2 359.427 -2.037 20 0 FAADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730524 793054106 /nfs/dbraw/zinc/05/41/06/793054106.db2.gz PXZKMEBCBSXABO-IJLUTSLNSA-N 2 2 359.427 -2.037 20 0 FAADLP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730525 793054040 /nfs/dbraw/zinc/05/40/40/793054040.db2.gz PXZKMEBCBSXABO-QJPTWQEYSA-N 2 2 359.427 -2.037 20 0 FAADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730525 793054031 /nfs/dbraw/zinc/05/40/31/793054031.db2.gz PXZKMEBCBSXABO-QJPTWQEYSA-N 2 2 359.427 -2.037 20 0 FAADLP CO[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730795 793053863 /nfs/dbraw/zinc/05/38/63/793053863.db2.gz YCTDIVCECYOACY-FRRDWIJNSA-N 2 2 356.423 -1.815 20 0 FAADLP CO[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730795 793053857 /nfs/dbraw/zinc/05/38/57/793053857.db2.gz YCTDIVCECYOACY-FRRDWIJNSA-N 2 2 356.423 -1.815 20 0 FAADLP CO[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730796 793053403 /nfs/dbraw/zinc/05/34/03/793053403.db2.gz YCTDIVCECYOACY-JHJVBQTASA-N 2 2 356.423 -1.815 20 0 FAADLP CO[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730796 793053391 /nfs/dbraw/zinc/05/33/91/793053391.db2.gz YCTDIVCECYOACY-JHJVBQTASA-N 2 2 356.423 -1.815 20 0 FAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1OC ZINC001213769291 793055566 /nfs/dbraw/zinc/05/55/66/793055566.db2.gz NUAJQYFSWWNOLL-CHWSQXEVSA-N 2 2 355.439 -1.305 20 0 FAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1OC ZINC001213769291 793055548 /nfs/dbraw/zinc/05/55/48/793055548.db2.gz NUAJQYFSWWNOLL-CHWSQXEVSA-N 2 2 355.439 -1.305 20 0 FAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1OC ZINC001213769291 793055540 /nfs/dbraw/zinc/05/55/40/793055540.db2.gz NUAJQYFSWWNOLL-CHWSQXEVSA-N 2 2 355.439 -1.305 20 0 FAADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1OC ZINC001213769291 793055532 /nfs/dbraw/zinc/05/55/32/793055532.db2.gz NUAJQYFSWWNOLL-CHWSQXEVSA-N 2 2 355.439 -1.305 20 0 FAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NC)C[C@H]1OC ZINC001213769433 793055453 /nfs/dbraw/zinc/05/54/53/793055453.db2.gz WCCMLRVHEWVKGL-JHJVBQTASA-N 2 2 357.455 -1.012 20 0 FAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NC)C[C@H]1OC ZINC001213769433 793055440 /nfs/dbraw/zinc/05/54/40/793055440.db2.gz WCCMLRVHEWVKGL-JHJVBQTASA-N 2 2 357.455 -1.012 20 0 FAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(=O)NC)C[C@H]1OC ZINC001213769433 793055428 /nfs/dbraw/zinc/05/54/28/793055428.db2.gz WCCMLRVHEWVKGL-JHJVBQTASA-N 2 2 357.455 -1.012 20 0 FAADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(=O)NC)C[C@H]1OC ZINC001213769433 793055411 /nfs/dbraw/zinc/05/54/11/793055411.db2.gz WCCMLRVHEWVKGL-JHJVBQTASA-N 2 2 357.455 -1.012 20 0 FAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]1OC ZINC001213769434 793055713 /nfs/dbraw/zinc/05/57/13/793055713.db2.gz WCCMLRVHEWVKGL-YNEHKIRRSA-N 2 2 357.455 -1.012 20 0 FAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]1OC ZINC001213769434 793055700 /nfs/dbraw/zinc/05/57/00/793055700.db2.gz WCCMLRVHEWVKGL-YNEHKIRRSA-N 2 2 357.455 -1.012 20 0 FAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]1OC ZINC001213769434 793055697 /nfs/dbraw/zinc/05/56/97/793055697.db2.gz WCCMLRVHEWVKGL-YNEHKIRRSA-N 2 2 357.455 -1.012 20 0 FAADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]1OC ZINC001213769434 793055691 /nfs/dbraw/zinc/05/56/91/793055691.db2.gz WCCMLRVHEWVKGL-YNEHKIRRSA-N 2 2 357.455 -1.012 20 0 FAADLP CO[C@@H]1C[NH+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001213856992 793064970 /nfs/dbraw/zinc/06/49/70/793064970.db2.gz CVQUBIOIYQICFM-BFHYXJOUSA-N 2 2 362.496 -1.355 20 0 FAADLP CO[C@@H]1C[NH+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001213856992 793064960 /nfs/dbraw/zinc/06/49/60/793064960.db2.gz CVQUBIOIYQICFM-BFHYXJOUSA-N 2 2 362.496 -1.355 20 0 FAADLP CO[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001213856992 793064951 /nfs/dbraw/zinc/06/49/51/793064951.db2.gz CVQUBIOIYQICFM-BFHYXJOUSA-N 2 2 362.496 -1.355 20 0 FAADLP CO[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001213856992 793064939 /nfs/dbraw/zinc/06/49/39/793064939.db2.gz CVQUBIOIYQICFM-BFHYXJOUSA-N 2 2 362.496 -1.355 20 0 FAADLP CO[C@@H]1C[NH+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001213856993 793065313 /nfs/dbraw/zinc/06/53/13/793065313.db2.gz CVQUBIOIYQICFM-MGPQQGTHSA-N 2 2 362.496 -1.355 20 0 FAADLP CO[C@@H]1C[NH+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001213856993 793065303 /nfs/dbraw/zinc/06/53/03/793065303.db2.gz CVQUBIOIYQICFM-MGPQQGTHSA-N 2 2 362.496 -1.355 20 0 FAADLP CO[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001213856993 793065291 /nfs/dbraw/zinc/06/52/91/793065291.db2.gz CVQUBIOIYQICFM-MGPQQGTHSA-N 2 2 362.496 -1.355 20 0 FAADLP CO[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001213856993 793065279 /nfs/dbraw/zinc/06/52/79/793065279.db2.gz CVQUBIOIYQICFM-MGPQQGTHSA-N 2 2 362.496 -1.355 20 0 FAADLP COCCOC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](OC)C1 ZINC001213859415 793065840 /nfs/dbraw/zinc/06/58/40/793065840.db2.gz BSQUEZSKQKSGEV-ARFHVFGLSA-N 2 2 359.467 -1.079 20 0 FAADLP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](OC)C1 ZINC001213859415 793065831 /nfs/dbraw/zinc/06/58/31/793065831.db2.gz BSQUEZSKQKSGEV-ARFHVFGLSA-N 2 2 359.467 -1.079 20 0 FAADLP COCCOC[C@H](O)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](OC)C1 ZINC001213859417 793066096 /nfs/dbraw/zinc/06/60/96/793066096.db2.gz BSQUEZSKQKSGEV-BZUAXINKSA-N 2 2 359.467 -1.079 20 0 FAADLP COCCOC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](OC)C1 ZINC001213859417 793066086 /nfs/dbraw/zinc/06/60/86/793066086.db2.gz BSQUEZSKQKSGEV-BZUAXINKSA-N 2 2 359.467 -1.079 20 0 FAADLP CCS(=O)(=O)NCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001213860276 793065987 /nfs/dbraw/zinc/06/59/87/793065987.db2.gz YNLDWTZVOKKWRD-BFHYXJOUSA-N 2 2 362.496 -1.307 20 0 FAADLP CCS(=O)(=O)NCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001213860276 793065976 /nfs/dbraw/zinc/06/59/76/793065976.db2.gz YNLDWTZVOKKWRD-BFHYXJOUSA-N 2 2 362.496 -1.307 20 0 FAADLP CCS(=O)(=O)NCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001213860276 793065965 /nfs/dbraw/zinc/06/59/65/793065965.db2.gz YNLDWTZVOKKWRD-BFHYXJOUSA-N 2 2 362.496 -1.307 20 0 FAADLP CCS(=O)(=O)NCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001213860276 793065956 /nfs/dbraw/zinc/06/59/56/793065956.db2.gz YNLDWTZVOKKWRD-BFHYXJOUSA-N 2 2 362.496 -1.307 20 0 FAADLP CCS(=O)(=O)NCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001213860277 793066359 /nfs/dbraw/zinc/06/63/59/793066359.db2.gz YNLDWTZVOKKWRD-MGPQQGTHSA-N 2 2 362.496 -1.307 20 0 FAADLP CCS(=O)(=O)NCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001213860277 793066348 /nfs/dbraw/zinc/06/63/48/793066348.db2.gz YNLDWTZVOKKWRD-MGPQQGTHSA-N 2 2 362.496 -1.307 20 0 FAADLP CCS(=O)(=O)NCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001213860277 793066336 /nfs/dbraw/zinc/06/63/36/793066336.db2.gz YNLDWTZVOKKWRD-MGPQQGTHSA-N 2 2 362.496 -1.307 20 0 FAADLP CCS(=O)(=O)NCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001213860277 793066324 /nfs/dbraw/zinc/06/63/24/793066324.db2.gz YNLDWTZVOKKWRD-MGPQQGTHSA-N 2 2 362.496 -1.307 20 0 FAADLP CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001213863369 793066627 /nfs/dbraw/zinc/06/66/27/793066627.db2.gz LBMIMRAGZHTDEZ-ARFHVFGLSA-N 2 2 359.467 -1.221 20 0 FAADLP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001213863369 793066618 /nfs/dbraw/zinc/06/66/18/793066618.db2.gz LBMIMRAGZHTDEZ-ARFHVFGLSA-N 2 2 359.467 -1.221 20 0 FAADLP CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001213863371 793066202 /nfs/dbraw/zinc/06/62/02/793066202.db2.gz LBMIMRAGZHTDEZ-BZUAXINKSA-N 2 2 359.467 -1.221 20 0 FAADLP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001213863371 793066191 /nfs/dbraw/zinc/06/61/91/793066191.db2.gz LBMIMRAGZHTDEZ-BZUAXINKSA-N 2 2 359.467 -1.221 20 0 FAADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001213863698 793066858 /nfs/dbraw/zinc/06/68/58/793066858.db2.gz QIPQXJGOZYWROP-RBSFLKMASA-N 2 2 356.467 -1.142 20 0 FAADLP CO[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001213863698 793066845 /nfs/dbraw/zinc/06/68/45/793066845.db2.gz QIPQXJGOZYWROP-RBSFLKMASA-N 2 2 356.467 -1.142 20 0 FAADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001213863699 793066512 /nfs/dbraw/zinc/06/65/12/793066512.db2.gz QIPQXJGOZYWROP-RRFJBIMHSA-N 2 2 356.467 -1.142 20 0 FAADLP CO[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001213863699 793066506 /nfs/dbraw/zinc/06/65/06/793066506.db2.gz QIPQXJGOZYWROP-RRFJBIMHSA-N 2 2 356.467 -1.142 20 0 FAADLP CO[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213929808 793074872 /nfs/dbraw/zinc/07/48/72/793074872.db2.gz MBNNHOCEYKVMDE-CHWSQXEVSA-N 2 2 355.439 -1.306 20 0 FAADLP CO[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213929808 793074859 /nfs/dbraw/zinc/07/48/59/793074859.db2.gz MBNNHOCEYKVMDE-CHWSQXEVSA-N 2 2 355.439 -1.306 20 0 FAADLP CO[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929808 793074846 /nfs/dbraw/zinc/07/48/46/793074846.db2.gz MBNNHOCEYKVMDE-CHWSQXEVSA-N 2 2 355.439 -1.306 20 0 FAADLP CO[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929808 793074835 /nfs/dbraw/zinc/07/48/35/793074835.db2.gz MBNNHOCEYKVMDE-CHWSQXEVSA-N 2 2 355.439 -1.306 20 0 FAADLP CO[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213929961 793074306 /nfs/dbraw/zinc/07/43/06/793074306.db2.gz SXVSKOYSMGEWGK-CHWSQXEVSA-N 2 2 350.485 -1.309 20 0 FAADLP CO[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213929961 793074295 /nfs/dbraw/zinc/07/42/95/793074295.db2.gz SXVSKOYSMGEWGK-CHWSQXEVSA-N 2 2 350.485 -1.309 20 0 FAADLP CO[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929961 793074286 /nfs/dbraw/zinc/07/42/86/793074286.db2.gz SXVSKOYSMGEWGK-CHWSQXEVSA-N 2 2 350.485 -1.309 20 0 FAADLP CO[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929961 793074277 /nfs/dbraw/zinc/07/42/77/793074277.db2.gz SXVSKOYSMGEWGK-CHWSQXEVSA-N 2 2 350.485 -1.309 20 0 FAADLP CNC(=O)NC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](OC)C1 ZINC001213930152 793075101 /nfs/dbraw/zinc/07/51/01/793075101.db2.gz XXOYTIKCEOYLJF-JHJVBQTASA-N 2 2 357.455 -1.014 20 0 FAADLP CNC(=O)NC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H](OC)C1 ZINC001213930152 793075090 /nfs/dbraw/zinc/07/50/90/793075090.db2.gz XXOYTIKCEOYLJF-JHJVBQTASA-N 2 2 357.455 -1.014 20 0 FAADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C1 ZINC001213930152 793075080 /nfs/dbraw/zinc/07/50/80/793075080.db2.gz XXOYTIKCEOYLJF-JHJVBQTASA-N 2 2 357.455 -1.014 20 0 FAADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C1 ZINC001213930152 793075063 /nfs/dbraw/zinc/07/50/63/793075063.db2.gz XXOYTIKCEOYLJF-JHJVBQTASA-N 2 2 357.455 -1.014 20 0 FAADLP CNC(=O)NC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](OC)C1 ZINC001213930153 793074941 /nfs/dbraw/zinc/07/49/41/793074941.db2.gz XXOYTIKCEOYLJF-YNEHKIRRSA-N 2 2 357.455 -1.014 20 0 FAADLP CNC(=O)NC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H](OC)C1 ZINC001213930153 793074929 /nfs/dbraw/zinc/07/49/29/793074929.db2.gz XXOYTIKCEOYLJF-YNEHKIRRSA-N 2 2 357.455 -1.014 20 0 FAADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C1 ZINC001213930153 793074927 /nfs/dbraw/zinc/07/49/27/793074927.db2.gz XXOYTIKCEOYLJF-YNEHKIRRSA-N 2 2 357.455 -1.014 20 0 FAADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C1 ZINC001213930153 793074914 /nfs/dbraw/zinc/07/49/14/793074914.db2.gz XXOYTIKCEOYLJF-YNEHKIRRSA-N 2 2 357.455 -1.014 20 0 FAADLP COCCOC[C@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](OC)C1 ZINC001213977406 793078283 /nfs/dbraw/zinc/07/82/83/793078283.db2.gz BDGGHOJBVRXOIP-RBSFLKMASA-N 2 2 356.423 -1.278 20 0 FAADLP COCCOC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](OC)C1 ZINC001213977406 793078273 /nfs/dbraw/zinc/07/82/73/793078273.db2.gz BDGGHOJBVRXOIP-RBSFLKMASA-N 2 2 356.423 -1.278 20 0 FAADLP COCCOC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](OC)C1 ZINC001213977407 793078369 /nfs/dbraw/zinc/07/83/69/793078369.db2.gz BDGGHOJBVRXOIP-RRFJBIMHSA-N 2 2 356.423 -1.278 20 0 FAADLP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](OC)C1 ZINC001213977407 793078361 /nfs/dbraw/zinc/07/83/61/793078361.db2.gz BDGGHOJBVRXOIP-RRFJBIMHSA-N 2 2 356.423 -1.278 20 0 FAADLP CO[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001213977734 793078486 /nfs/dbraw/zinc/07/84/86/793078486.db2.gz WRCNXMPBNWSDFI-HUUCEWRRSA-N 2 2 353.423 -1.149 20 0 FAADLP CO[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001213977734 793078478 /nfs/dbraw/zinc/07/84/78/793078478.db2.gz WRCNXMPBNWSDFI-HUUCEWRRSA-N 2 2 353.423 -1.149 20 0 FAADLP C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215024746 793100017 /nfs/dbraw/zinc/10/00/17/793100017.db2.gz PZHPFCRLYPQNBK-BXKDBHETSA-N 2 2 352.395 -1.019 20 0 FAADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)C[C@H]1C ZINC001215447082 793110153 /nfs/dbraw/zinc/11/01/53/793110153.db2.gz VXHXZSCLTWZVPY-DDTOSNHZSA-N 2 2 350.423 -1.361 20 0 FAADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)C[C@H]1C ZINC001215447082 793110146 /nfs/dbraw/zinc/11/01/46/793110146.db2.gz VXHXZSCLTWZVPY-DDTOSNHZSA-N 2 2 350.423 -1.361 20 0 FAADLP COCCOCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@H]2C1 ZINC001217590097 793145879 /nfs/dbraw/zinc/14/58/79/793145879.db2.gz DEJSFCIEFQXEGK-ARFHVFGLSA-N 2 2 357.451 -1.108 20 0 FAADLP COCCOCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@H]2C1 ZINC001217590097 793145872 /nfs/dbraw/zinc/14/58/72/793145872.db2.gz DEJSFCIEFQXEGK-ARFHVFGLSA-N 2 2 357.451 -1.108 20 0 FAADLP COCCOCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC001217590097 793145863 /nfs/dbraw/zinc/14/58/63/793145863.db2.gz DEJSFCIEFQXEGK-ARFHVFGLSA-N 2 2 357.451 -1.108 20 0 FAADLP COCCOCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC001217590097 793145854 /nfs/dbraw/zinc/14/58/54/793145854.db2.gz DEJSFCIEFQXEGK-ARFHVFGLSA-N 2 2 357.451 -1.108 20 0 FAADLP COCCOCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@H]2C1 ZINC001217590102 793146323 /nfs/dbraw/zinc/14/63/23/793146323.db2.gz DEJSFCIEFQXEGK-XHSDSOJGSA-N 2 2 357.451 -1.108 20 0 FAADLP COCCOCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@H]2C1 ZINC001217590102 793146321 /nfs/dbraw/zinc/14/63/21/793146321.db2.gz DEJSFCIEFQXEGK-XHSDSOJGSA-N 2 2 357.451 -1.108 20 0 FAADLP COCCOCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC001217590102 793146320 /nfs/dbraw/zinc/14/63/20/793146320.db2.gz DEJSFCIEFQXEGK-XHSDSOJGSA-N 2 2 357.451 -1.108 20 0 FAADLP COCCOCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC001217590102 793146318 /nfs/dbraw/zinc/14/63/18/793146318.db2.gz DEJSFCIEFQXEGK-XHSDSOJGSA-N 2 2 357.451 -1.108 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCOCCO)C[C@@H]32)O1 ZINC001218162887 793164723 /nfs/dbraw/zinc/16/47/23/793164723.db2.gz UPVNHKMJJZRXIG-QKPAOTATSA-N 2 2 357.451 -1.374 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCOCCO)C[C@@H]32)O1 ZINC001218162887 793164717 /nfs/dbraw/zinc/16/47/17/793164717.db2.gz UPVNHKMJJZRXIG-QKPAOTATSA-N 2 2 357.451 -1.374 20 0 FAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCOCCO)C[C@@H]32)O1 ZINC001218162887 793164709 /nfs/dbraw/zinc/16/47/09/793164709.db2.gz UPVNHKMJJZRXIG-QKPAOTATSA-N 2 2 357.451 -1.374 20 0 FAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCOCCO)C[C@@H]32)O1 ZINC001218162887 793164707 /nfs/dbraw/zinc/16/47/07/793164707.db2.gz UPVNHKMJJZRXIG-QKPAOTATSA-N 2 2 357.451 -1.374 20 0 FAADLP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218557526 793176567 /nfs/dbraw/zinc/17/65/67/793176567.db2.gz BHXURYYXLCRHPH-FRRDWIJNSA-N 2 2 355.439 -1.177 20 0 FAADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218557526 793176560 /nfs/dbraw/zinc/17/65/60/793176560.db2.gz BHXURYYXLCRHPH-FRRDWIJNSA-N 2 2 355.439 -1.177 20 0 FAADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218557527 793176337 /nfs/dbraw/zinc/17/63/37/793176337.db2.gz BHXURYYXLCRHPH-RWMBFGLXSA-N 2 2 355.439 -1.177 20 0 FAADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218557527 793176334 /nfs/dbraw/zinc/17/63/34/793176334.db2.gz BHXURYYXLCRHPH-RWMBFGLXSA-N 2 2 355.439 -1.177 20 0 FAADLP C[NH+](C)CCCC(=O)N1CCO[C@@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@@H]21 ZINC001218557680 793176460 /nfs/dbraw/zinc/17/64/60/793176460.db2.gz HMCSTXFSVDYYDU-UONOGXRCSA-N 2 2 362.496 -1.211 20 0 FAADLP C[NH+](C)CCCC(=O)N1CCO[C@@H]2C[N@H+](CCNS(C)(=O)=O)C[C@@H]21 ZINC001218557680 793176454 /nfs/dbraw/zinc/17/64/54/793176454.db2.gz HMCSTXFSVDYYDU-UONOGXRCSA-N 2 2 362.496 -1.211 20 0 FAADLP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)Nc1cc(N2CC[NH+](C)CC2)ncn1 ZINC001218572781 793177810 /nfs/dbraw/zinc/17/78/10/793177810.db2.gz NKCQRIYZKCWKDY-QWRGUYRKSA-N 2 2 351.411 -2.009 20 0 FAADLP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)Nc1cnc(N2CC[NH+](C)CC2)nc1 ZINC001218580844 793177337 /nfs/dbraw/zinc/17/73/37/793177337.db2.gz YCVVYOTWJQZGES-JQWIXIFHSA-N 2 2 351.411 -2.009 20 0 FAADLP C[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@@H]21 ZINC001218582821 793178121 /nfs/dbraw/zinc/17/81/21/793178121.db2.gz USVNOHZULATGIQ-LSDHHAIUSA-N 2 2 354.451 -1.292 20 0 FAADLP C[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@@H]21 ZINC001218582821 793178116 /nfs/dbraw/zinc/17/81/16/793178116.db2.gz USVNOHZULATGIQ-LSDHHAIUSA-N 2 2 354.451 -1.292 20 0 FAADLP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001218668289 793181731 /nfs/dbraw/zinc/18/17/31/793181731.db2.gz APYHZJXNOGVRNB-AAEUAGOBSA-N 2 2 354.411 -2.022 20 0 FAADLP NC(=O)NCCC[C@@H]([NH3+])C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001218669209 793181520 /nfs/dbraw/zinc/18/15/20/793181520.db2.gz NJKMMDIXQFWDAQ-CYBMUJFWSA-N 2 2 353.427 -1.070 20 0 FAADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001218669298 793181137 /nfs/dbraw/zinc/18/11/37/793181137.db2.gz OWWMAPIDUMBSOB-AWEZNQCLSA-N 2 2 350.423 -1.516 20 0 FAADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001218669299 793181053 /nfs/dbraw/zinc/18/10/53/793181053.db2.gz OWWMAPIDUMBSOB-CQSZACIVSA-N 2 2 350.423 -1.516 20 0 FAADLP CS(=O)(=O)N(CC[NH3+])CC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001218669335 793181709 /nfs/dbraw/zinc/18/17/09/793181709.db2.gz POYIOAZBUBTRRR-UHFFFAOYSA-N 2 2 374.467 -1.626 20 0 FAADLP COC(=O)c1c[nH]c2nc[nH+]c(NC(=O)CN(CC[NH3+])S(C)(=O)=O)c12 ZINC001218772658 793186307 /nfs/dbraw/zinc/18/63/07/793186307.db2.gz SQVDVOIZIHPFNR-UHFFFAOYSA-N 2 2 370.391 -1.097 20 0 FAADLP Nc1ncn(C(=O)[C@@H]([NH3+])CC[NH3+])c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218775218 793185822 /nfs/dbraw/zinc/18/58/22/793185822.db2.gz GKUSQNXIAQZDMP-GUBZILKMSA-N 3 2 357.846 -1.694 20 0 FAADLP Nc1ncn(C(=O)[C@@H]([NH3+])CC[NH3+])c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218775220 793186240 /nfs/dbraw/zinc/18/62/40/793186240.db2.gz GKUSQNXIAQZDMP-KXUCPTDWSA-N 3 2 357.846 -1.694 20 0 FAADLP Nc1ncn(C(=O)[C@@H]([NH3+])CC[NH3+])c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218775221 793186221 /nfs/dbraw/zinc/18/62/21/793186221.db2.gz GKUSQNXIAQZDMP-LPEHRKFASA-N 3 2 357.846 -1.694 20 0 FAADLP Nc1ncn(C(=O)[C@@H]([NH3+])CC[NH3+])c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218775222 793185923 /nfs/dbraw/zinc/18/59/23/793185923.db2.gz GKUSQNXIAQZDMP-UTLUCORTSA-N 3 2 357.846 -1.694 20 0 FAADLP Nc1ncn(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218776532 793186822 /nfs/dbraw/zinc/18/68/22/793186822.db2.gz LTWZVZSWSSGCFP-CHWFTXMASA-N 3 2 369.857 -1.681 20 0 FAADLP Nc1ncn(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218776533 793187302 /nfs/dbraw/zinc/18/73/02/793187302.db2.gz LTWZVZSWSSGCFP-VLEAKVRGSA-N 3 2 369.857 -1.681 20 0 FAADLP Nc1ncn(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218776534 793187180 /nfs/dbraw/zinc/18/71/80/793187180.db2.gz LTWZVZSWSSGCFP-ZNSHCXBVSA-N 3 2 369.857 -1.681 20 0 FAADLP Nc1ncn(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218776535 793187247 /nfs/dbraw/zinc/18/72/47/793187247.db2.gz LTWZVZSWSSGCFP-ZRUFSTJUSA-N 3 2 369.857 -1.681 20 0 FAADLP Nc1ncn(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218778416 793188064 /nfs/dbraw/zinc/18/80/64/793188064.db2.gz HLMDZAZEYHWHBI-NAKRPEOUSA-N 3 2 369.857 -1.823 20 0 FAADLP Nc1ncn(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218778417 793188097 /nfs/dbraw/zinc/18/80/97/793188097.db2.gz HLMDZAZEYHWHBI-RCWTZXSCSA-N 3 2 369.857 -1.823 20 0 FAADLP Nc1ncn(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218778418 793187929 /nfs/dbraw/zinc/18/79/29/793187929.db2.gz HLMDZAZEYHWHBI-VPOLOUISSA-N 3 2 369.857 -1.823 20 0 FAADLP Nc1ncn(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218778419 793188152 /nfs/dbraw/zinc/18/81/52/793188152.db2.gz HLMDZAZEYHWHBI-XWLWVQCSSA-N 3 2 369.857 -1.823 20 0 FAADLP Nc1ncn(C(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218779776 793187903 /nfs/dbraw/zinc/18/79/03/793187903.db2.gz LTWZVZSWSSGCFP-NAKRPEOUSA-N 3 2 369.857 -1.681 20 0 FAADLP Nc1ncn(C(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218779778 793187791 /nfs/dbraw/zinc/18/77/91/793187791.db2.gz LTWZVZSWSSGCFP-RCWTZXSCSA-N 3 2 369.857 -1.681 20 0 FAADLP Nc1ncn(C(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218779780 793187810 /nfs/dbraw/zinc/18/78/10/793187810.db2.gz LTWZVZSWSSGCFP-VPOLOUISSA-N 3 2 369.857 -1.681 20 0 FAADLP Nc1ncn(C(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218779781 793187980 /nfs/dbraw/zinc/18/79/80/793187980.db2.gz LTWZVZSWSSGCFP-XWLWVQCSSA-N 3 2 369.857 -1.681 20 0 FAADLP Nc1ncn(C(=O)C2(F)C[NH2+]C2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218783368 793188726 /nfs/dbraw/zinc/18/87/26/793188726.db2.gz XAFPEEVQWIYMAH-BDAKNGLRSA-N 2 2 358.805 -1.059 20 0 FAADLP Nc1ncn(C(=O)C2(F)C[NH2+]C2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218783372 793188772 /nfs/dbraw/zinc/18/87/72/793188772.db2.gz XAFPEEVQWIYMAH-DTWKUNHWSA-N 2 2 358.805 -1.059 20 0 FAADLP Nc1ncn(C(=O)C2(F)C[NH2+]C2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218783374 793189305 /nfs/dbraw/zinc/18/93/05/793189305.db2.gz XAFPEEVQWIYMAH-IUCAKERBSA-N 2 2 358.805 -1.059 20 0 FAADLP Nc1ncn(C(=O)C2(F)C[NH2+]C2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218783375 793189386 /nfs/dbraw/zinc/18/93/86/793189386.db2.gz XAFPEEVQWIYMAH-RKDXNWHRSA-N 2 2 358.805 -1.059 20 0 FAADLP O=C(CC[NH+]1CCOCC1)N1CCO[C@@H]2C[N@H+](CCOCCO)C[C@@H]21 ZINC001218789291 793188996 /nfs/dbraw/zinc/18/89/96/793188996.db2.gz FZZGCSCWGNCYOV-JKSUJKDBSA-N 2 2 357.451 -1.371 20 0 FAADLP O=C(CC[NH+]1CCOCC1)N1CCO[C@@H]2C[N@@H+](CCOCCO)C[C@@H]21 ZINC001218789291 793188987 /nfs/dbraw/zinc/18/89/87/793188987.db2.gz FZZGCSCWGNCYOV-JKSUJKDBSA-N 2 2 357.451 -1.371 20 0 FAADLP COC[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCOCC3)[C@H]2C1 ZINC001218789306 793188947 /nfs/dbraw/zinc/18/89/47/793188947.db2.gz GWFJHRBHRQSYRH-HRCADAONSA-N 2 2 357.451 -1.372 20 0 FAADLP COC[C@@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCOCC3)[C@H]2C1 ZINC001218789306 793188940 /nfs/dbraw/zinc/18/89/40/793188940.db2.gz GWFJHRBHRQSYRH-HRCADAONSA-N 2 2 357.451 -1.372 20 0 FAADLP COC[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCOCC3)[C@H]2C1 ZINC001218789307 793188758 /nfs/dbraw/zinc/18/87/58/793188758.db2.gz GWFJHRBHRQSYRH-OWCLPIDISA-N 2 2 357.451 -1.372 20 0 FAADLP COC[C@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCOCC3)[C@H]2C1 ZINC001218789307 793188755 /nfs/dbraw/zinc/18/87/55/793188755.db2.gz GWFJHRBHRQSYRH-OWCLPIDISA-N 2 2 357.451 -1.372 20 0 FAADLP CNS(=O)(=O)c1ccc(O)c(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)c1 ZINC001218901646 793192464 /nfs/dbraw/zinc/19/24/64/793192464.db2.gz MPVGBUNFGHPBOB-GFCCVEGCSA-N 2 2 371.463 -1.011 20 0 FAADLP CNS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)c1 ZINC001218901647 793192017 /nfs/dbraw/zinc/19/20/17/793192017.db2.gz MPVGBUNFGHPBOB-LBPRGKRZSA-N 2 2 371.463 -1.011 20 0 FAADLP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@@H]21 ZINC001218905345 793192138 /nfs/dbraw/zinc/19/21/38/793192138.db2.gz SJIMBZNXCRPHRD-FRRDWIJNSA-N 2 2 355.439 -1.177 20 0 FAADLP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@@H]21 ZINC001218905345 793192136 /nfs/dbraw/zinc/19/21/36/793192136.db2.gz SJIMBZNXCRPHRD-FRRDWIJNSA-N 2 2 355.439 -1.177 20 0 FAADLP CC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@@H]21 ZINC001218905345 793192133 /nfs/dbraw/zinc/19/21/33/793192133.db2.gz SJIMBZNXCRPHRD-FRRDWIJNSA-N 2 2 355.439 -1.177 20 0 FAADLP CC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@@H]21 ZINC001218905345 793192131 /nfs/dbraw/zinc/19/21/31/793192131.db2.gz SJIMBZNXCRPHRD-FRRDWIJNSA-N 2 2 355.439 -1.177 20 0 FAADLP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@@H]21 ZINC001218905346 793192522 /nfs/dbraw/zinc/19/25/22/793192522.db2.gz SJIMBZNXCRPHRD-RWMBFGLXSA-N 2 2 355.439 -1.177 20 0 FAADLP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@@H]21 ZINC001218905346 793192519 /nfs/dbraw/zinc/19/25/19/793192519.db2.gz SJIMBZNXCRPHRD-RWMBFGLXSA-N 2 2 355.439 -1.177 20 0 FAADLP CC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@@H]21 ZINC001218905346 793192516 /nfs/dbraw/zinc/19/25/16/793192516.db2.gz SJIMBZNXCRPHRD-RWMBFGLXSA-N 2 2 355.439 -1.177 20 0 FAADLP CC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@@H]21 ZINC001218905346 793192511 /nfs/dbraw/zinc/19/25/11/793192511.db2.gz SJIMBZNXCRPHRD-RWMBFGLXSA-N 2 2 355.439 -1.177 20 0 FAADLP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@@H]21 ZINC001218918920 793192314 /nfs/dbraw/zinc/19/23/14/793192314.db2.gz KBKZITUPEYZTGN-UONOGXRCSA-N 2 2 362.496 -1.211 20 0 FAADLP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](CCNS(C)(=O)=O)C[C@@H]21 ZINC001218918920 793192310 /nfs/dbraw/zinc/19/23/10/793192310.db2.gz KBKZITUPEYZTGN-UONOGXRCSA-N 2 2 362.496 -1.211 20 0 FAADLP CC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CCNS(C)(=O)=O)C[C@@H]21 ZINC001218918920 793192308 /nfs/dbraw/zinc/19/23/08/793192308.db2.gz KBKZITUPEYZTGN-UONOGXRCSA-N 2 2 362.496 -1.211 20 0 FAADLP CC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CCNS(C)(=O)=O)C[C@@H]21 ZINC001218918920 793192304 /nfs/dbraw/zinc/19/23/04/793192304.db2.gz KBKZITUPEYZTGN-UONOGXRCSA-N 2 2 362.496 -1.211 20 0 FAADLP CCN(C)C(=O)C[N@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218971375 793194245 /nfs/dbraw/zinc/19/42/45/793194245.db2.gz YDKVTTAXJDEKTI-LSDHHAIUSA-N 2 2 356.467 -1.046 20 0 FAADLP CCN(C)C(=O)C[N@@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218971375 793194240 /nfs/dbraw/zinc/19/42/40/793194240.db2.gz YDKVTTAXJDEKTI-LSDHHAIUSA-N 2 2 356.467 -1.046 20 0 FAADLP C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218971400 793193980 /nfs/dbraw/zinc/19/39/80/793193980.db2.gz YNUZEWDRJCGAAK-QLFBSQMISA-N 2 2 356.467 -1.047 20 0 FAADLP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218971400 793193975 /nfs/dbraw/zinc/19/39/75/793193975.db2.gz YNUZEWDRJCGAAK-QLFBSQMISA-N 2 2 356.467 -1.047 20 0 FAADLP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218971405 793194413 /nfs/dbraw/zinc/19/44/13/793194413.db2.gz YNUZEWDRJCGAAK-SOUVJXGZSA-N 2 2 356.467 -1.047 20 0 FAADLP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218971405 793194409 /nfs/dbraw/zinc/19/44/09/793194409.db2.gz YNUZEWDRJCGAAK-SOUVJXGZSA-N 2 2 356.467 -1.047 20 0 FAADLP CC[NH+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCOCCO)C[C@@H]32)C1 ZINC001219042379 793199427 /nfs/dbraw/zinc/19/94/27/793199427.db2.gz CUOOVMVTIWFCIC-ARFHVFGLSA-N 2 2 357.451 -1.372 20 0 FAADLP CC[NH+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CCOCCO)C[C@@H]32)C1 ZINC001219042379 793199419 /nfs/dbraw/zinc/19/94/19/793199419.db2.gz CUOOVMVTIWFCIC-ARFHVFGLSA-N 2 2 357.451 -1.372 20 0 FAADLP CC[N@H+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCOCCO)C[C@@H]32)C1 ZINC001219042379 793199413 /nfs/dbraw/zinc/19/94/13/793199413.db2.gz CUOOVMVTIWFCIC-ARFHVFGLSA-N 2 2 357.451 -1.372 20 0 FAADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCOCCO)C[C@@H]32)C1 ZINC001219042379 793199403 /nfs/dbraw/zinc/19/94/03/793199403.db2.gz CUOOVMVTIWFCIC-ARFHVFGLSA-N 2 2 357.451 -1.372 20 0 FAADLP CC[NH+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCOCCO)C[C@@H]32)C1 ZINC001219042381 793200547 /nfs/dbraw/zinc/20/05/47/793200547.db2.gz CUOOVMVTIWFCIC-XHSDSOJGSA-N 2 2 357.451 -1.372 20 0 FAADLP CC[NH+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCOCCO)C[C@@H]32)C1 ZINC001219042381 793200541 /nfs/dbraw/zinc/20/05/41/793200541.db2.gz CUOOVMVTIWFCIC-XHSDSOJGSA-N 2 2 357.451 -1.372 20 0 FAADLP CC[N@H+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCOCCO)C[C@@H]32)C1 ZINC001219042381 793200534 /nfs/dbraw/zinc/20/05/34/793200534.db2.gz CUOOVMVTIWFCIC-XHSDSOJGSA-N 2 2 357.451 -1.372 20 0 FAADLP CC[N@@H+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCOCCO)C[C@@H]32)C1 ZINC001219042381 793200530 /nfs/dbraw/zinc/20/05/30/793200530.db2.gz CUOOVMVTIWFCIC-XHSDSOJGSA-N 2 2 357.451 -1.372 20 0 FAADLP CCS(=O)(=O)NCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219357694 793243661 /nfs/dbraw/zinc/24/36/61/793243661.db2.gz HIMPSJZGQYLUCJ-MCIONIFRSA-N 2 2 362.496 -1.429 20 0 FAADLP CCS(=O)(=O)NCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219357694 793243651 /nfs/dbraw/zinc/24/36/51/793243651.db2.gz HIMPSJZGQYLUCJ-MCIONIFRSA-N 2 2 362.496 -1.429 20 0 FAADLP CCS(=O)(=O)NCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219357694 793243641 /nfs/dbraw/zinc/24/36/41/793243641.db2.gz HIMPSJZGQYLUCJ-MCIONIFRSA-N 2 2 362.496 -1.429 20 0 FAADLP CCS(=O)(=O)NCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219357694 793243629 /nfs/dbraw/zinc/24/36/29/793243629.db2.gz HIMPSJZGQYLUCJ-MCIONIFRSA-N 2 2 362.496 -1.429 20 0 FAADLP CCS(=O)(=O)NCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219357695 793244028 /nfs/dbraw/zinc/24/40/28/793244028.db2.gz HIMPSJZGQYLUCJ-RDBSUJKOSA-N 2 2 362.496 -1.429 20 0 FAADLP CCS(=O)(=O)NCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219357695 793244023 /nfs/dbraw/zinc/24/40/23/793244023.db2.gz HIMPSJZGQYLUCJ-RDBSUJKOSA-N 2 2 362.496 -1.429 20 0 FAADLP CCS(=O)(=O)NCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219357695 793244018 /nfs/dbraw/zinc/24/40/18/793244018.db2.gz HIMPSJZGQYLUCJ-RDBSUJKOSA-N 2 2 362.496 -1.429 20 0 FAADLP CCS(=O)(=O)NCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219357695 793244013 /nfs/dbraw/zinc/24/40/13/793244013.db2.gz HIMPSJZGQYLUCJ-RDBSUJKOSA-N 2 2 362.496 -1.429 20 0 FAADLP CN(C)S(=O)(=O)CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219358062 793243713 /nfs/dbraw/zinc/24/37/13/793243713.db2.gz VLGONTBMBONVFY-MCIONIFRSA-N 2 2 362.496 -1.477 20 0 FAADLP CN(C)S(=O)(=O)CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219358062 793243709 /nfs/dbraw/zinc/24/37/09/793243709.db2.gz VLGONTBMBONVFY-MCIONIFRSA-N 2 2 362.496 -1.477 20 0 FAADLP CN(C)S(=O)(=O)CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219358062 793243706 /nfs/dbraw/zinc/24/37/06/793243706.db2.gz VLGONTBMBONVFY-MCIONIFRSA-N 2 2 362.496 -1.477 20 0 FAADLP CN(C)S(=O)(=O)CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219358062 793243699 /nfs/dbraw/zinc/24/36/99/793243699.db2.gz VLGONTBMBONVFY-MCIONIFRSA-N 2 2 362.496 -1.477 20 0 FAADLP CN(C)S(=O)(=O)CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219358063 793244175 /nfs/dbraw/zinc/24/41/75/793244175.db2.gz VLGONTBMBONVFY-RDBSUJKOSA-N 2 2 362.496 -1.477 20 0 FAADLP CN(C)S(=O)(=O)CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219358063 793244169 /nfs/dbraw/zinc/24/41/69/793244169.db2.gz VLGONTBMBONVFY-RDBSUJKOSA-N 2 2 362.496 -1.477 20 0 FAADLP CN(C)S(=O)(=O)CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219358063 793244165 /nfs/dbraw/zinc/24/41/65/793244165.db2.gz VLGONTBMBONVFY-RDBSUJKOSA-N 2 2 362.496 -1.477 20 0 FAADLP CN(C)S(=O)(=O)CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219358063 793244160 /nfs/dbraw/zinc/24/41/60/793244160.db2.gz VLGONTBMBONVFY-RDBSUJKOSA-N 2 2 362.496 -1.477 20 0 FAADLP CC(=O)NCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001219411662 793254685 /nfs/dbraw/zinc/25/46/85/793254685.db2.gz RZDBMRPGHOWVME-ILXRZTDVSA-N 2 2 358.439 -2.369 20 0 FAADLP CC(=O)NCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001219411662 793254676 /nfs/dbraw/zinc/25/46/76/793254676.db2.gz RZDBMRPGHOWVME-ILXRZTDVSA-N 2 2 358.439 -2.369 20 0 FAADLP CC(=O)NCCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001219411662 793254671 /nfs/dbraw/zinc/25/46/71/793254671.db2.gz RZDBMRPGHOWVME-ILXRZTDVSA-N 2 2 358.439 -2.369 20 0 FAADLP CC(=O)NCCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001219411662 793254662 /nfs/dbraw/zinc/25/46/62/793254662.db2.gz RZDBMRPGHOWVME-ILXRZTDVSA-N 2 2 358.439 -2.369 20 0 FAADLP CC(=O)NCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001219411663 793255052 /nfs/dbraw/zinc/25/50/52/793255052.db2.gz RZDBMRPGHOWVME-QLFBSQMISA-N 2 2 358.439 -2.369 20 0 FAADLP CC(=O)NCCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001219411663 793255047 /nfs/dbraw/zinc/25/50/47/793255047.db2.gz RZDBMRPGHOWVME-QLFBSQMISA-N 2 2 358.439 -2.369 20 0 FAADLP CC(=O)NCCOCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001219411663 793255042 /nfs/dbraw/zinc/25/50/42/793255042.db2.gz RZDBMRPGHOWVME-QLFBSQMISA-N 2 2 358.439 -2.369 20 0 FAADLP CC(=O)NCCOCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001219411663 793255033 /nfs/dbraw/zinc/25/50/33/793255033.db2.gz RZDBMRPGHOWVME-QLFBSQMISA-N 2 2 358.439 -2.369 20 0 FAADLP CC(=O)NCCOCC[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219550479 793288199 /nfs/dbraw/zinc/28/81/99/793288199.db2.gz ATYZJSUHANLNHI-KGLIPLIRSA-N 2 2 353.423 -1.344 20 0 FAADLP CC(=O)NCCOCC[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219550479 793288191 /nfs/dbraw/zinc/28/81/91/793288191.db2.gz ATYZJSUHANLNHI-KGLIPLIRSA-N 2 2 353.423 -1.344 20 0 FAADLP COCCOC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219551287 793287617 /nfs/dbraw/zinc/28/76/17/793287617.db2.gz WOXRMWXJONXAFS-MCIONIFRSA-N 2 2 356.423 -1.473 20 0 FAADLP COCCOC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219551287 793287608 /nfs/dbraw/zinc/28/76/08/793287608.db2.gz WOXRMWXJONXAFS-MCIONIFRSA-N 2 2 356.423 -1.473 20 0 FAADLP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219551288 793288004 /nfs/dbraw/zinc/28/80/04/793288004.db2.gz WOXRMWXJONXAFS-MJBXVCDLSA-N 2 2 356.423 -1.473 20 0 FAADLP COCCOC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219551288 793287998 /nfs/dbraw/zinc/28/79/98/793287998.db2.gz WOXRMWXJONXAFS-MJBXVCDLSA-N 2 2 356.423 -1.473 20 0 FAADLP CS(=O)(=O)N(CC[NH3+])C(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F ZINC001219595529 793297096 /nfs/dbraw/zinc/29/70/96/793297096.db2.gz DSQICUXRALUFOC-QMMMGPOBSA-N 2 2 362.374 -1.091 20 0 FAADLP Cn1c[nH+]c(CCNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])c1 ZINC001219634098 793310884 /nfs/dbraw/zinc/31/08/84/793310884.db2.gz NMRKMOSPUDZCNC-UHFFFAOYSA-N 2 2 353.383 -3.614 20 0 FAADLP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NCCc1cn(C)c[nH+]1 ZINC001219634393 793310091 /nfs/dbraw/zinc/31/00/91/793310091.db2.gz WOFRCBLSENTRKF-AAEUAGOBSA-N 2 2 350.423 -1.467 20 0 FAADLP CS(=O)(=O)NCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001219643273 793573547 /nfs/dbraw/zinc/57/35/47/793573547.db2.gz NOYMYYWREKZXRC-MCIONIFRSA-N 2 2 360.480 -1.961 20 0 FAADLP CS(=O)(=O)NCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001219643273 793573543 /nfs/dbraw/zinc/57/35/43/793573543.db2.gz NOYMYYWREKZXRC-MCIONIFRSA-N 2 2 360.480 -1.961 20 0 FAADLP CS(=O)(=O)NCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001219643274 793573404 /nfs/dbraw/zinc/57/34/04/793573404.db2.gz NOYMYYWREKZXRC-MJBXVCDLSA-N 2 2 360.480 -1.961 20 0 FAADLP CS(=O)(=O)NCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001219643274 793573394 /nfs/dbraw/zinc/57/33/94/793573394.db2.gz NOYMYYWREKZXRC-MJBXVCDLSA-N 2 2 360.480 -1.961 20 0 FAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CCN(C)S(C)(=O)=O)C[C@@H]2O)CC[NH+]1C ZINC001219656302 793575322 /nfs/dbraw/zinc/57/53/22/793575322.db2.gz WGMDWLVLRHBZLG-SYQHCUMBSA-N 2 2 362.496 -1.621 20 0 FAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CCN(C)S(C)(=O)=O)C[C@@H]2O)CC[NH+]1C ZINC001219656302 793575317 /nfs/dbraw/zinc/57/53/17/793575317.db2.gz WGMDWLVLRHBZLG-SYQHCUMBSA-N 2 2 362.496 -1.621 20 0 FAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCN(C)S(C)(=O)=O)C[C@@H]2O)CC[N@H+]1C ZINC001219656302 793575313 /nfs/dbraw/zinc/57/53/13/793575313.db2.gz WGMDWLVLRHBZLG-SYQHCUMBSA-N 2 2 362.496 -1.621 20 0 FAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCN(C)S(C)(=O)=O)C[C@@H]2O)CC[N@@H+]1C ZINC001219656302 793575308 /nfs/dbraw/zinc/57/53/08/793575308.db2.gz WGMDWLVLRHBZLG-SYQHCUMBSA-N 2 2 362.496 -1.621 20 0 FAADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@@H]2O)CC[NH+]1C ZINC001219660597 793575363 /nfs/dbraw/zinc/57/53/63/793575363.db2.gz FBJQZDQMYQRYPC-DGAVXFQQSA-N 2 2 362.496 -1.573 20 0 FAADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCNS(C)(=O)=O)C[C@@H]2O)CC[NH+]1C ZINC001219660597 793575361 /nfs/dbraw/zinc/57/53/61/793575361.db2.gz FBJQZDQMYQRYPC-DGAVXFQQSA-N 2 2 362.496 -1.573 20 0 FAADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCNS(C)(=O)=O)C[C@@H]2O)CC[N@H+]1C ZINC001219660597 793575356 /nfs/dbraw/zinc/57/53/56/793575356.db2.gz FBJQZDQMYQRYPC-DGAVXFQQSA-N 2 2 362.496 -1.573 20 0 FAADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCNS(C)(=O)=O)C[C@@H]2O)CC[N@@H+]1C ZINC001219660597 793575351 /nfs/dbraw/zinc/57/53/51/793575351.db2.gz FBJQZDQMYQRYPC-DGAVXFQQSA-N 2 2 362.496 -1.573 20 0 FAADLP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](O)C1 ZINC001219662939 793576043 /nfs/dbraw/zinc/57/60/43/793576043.db2.gz PEPVXWXVEKNMBK-KFWWJZLASA-N 2 2 352.435 -1.070 20 0 FAADLP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](O)C1 ZINC001219662939 793576034 /nfs/dbraw/zinc/57/60/34/793576034.db2.gz PEPVXWXVEKNMBK-KFWWJZLASA-N 2 2 352.435 -1.070 20 0 FAADLP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](O)C1 ZINC001219662940 793576359 /nfs/dbraw/zinc/57/63/59/793576359.db2.gz PEPVXWXVEKNMBK-ZNMIVQPWSA-N 2 2 352.435 -1.070 20 0 FAADLP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](O)C1 ZINC001219662940 793576357 /nfs/dbraw/zinc/57/63/57/793576357.db2.gz PEPVXWXVEKNMBK-ZNMIVQPWSA-N 2 2 352.435 -1.070 20 0 FAADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219663338 793576163 /nfs/dbraw/zinc/57/61/63/793576163.db2.gz YOXQBQSQTOBSHS-CABCVRRESA-N 2 2 352.435 -1.068 20 0 FAADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001219663338 793576156 /nfs/dbraw/zinc/57/61/56/793576156.db2.gz YOXQBQSQTOBSHS-CABCVRRESA-N 2 2 352.435 -1.068 20 0 FAADLP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1Cc2cc(O)ccc2C[NH2+]1 ZINC001219676650 793580143 /nfs/dbraw/zinc/58/01/43/793580143.db2.gz RWGJTKXBYFKCOT-HNNXBMFYSA-N 2 2 368.459 -1.242 20 0 FAADLP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H]1Cc2cc(O)ccc2C[NH2+]1 ZINC001219676651 793579918 /nfs/dbraw/zinc/57/99/18/793579918.db2.gz RWGJTKXBYFKCOT-OAHLLOKOSA-N 2 2 368.459 -1.242 20 0 FAADLP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678544 793581972 /nfs/dbraw/zinc/58/19/72/793581972.db2.gz SFOVKYFONQWZCX-CYBMUJFWSA-N 3 2 362.500 -2.912 20 0 FAADLP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678545 793582190 /nfs/dbraw/zinc/58/21/90/793582190.db2.gz SFOVKYFONQWZCX-ZDUSSCGKSA-N 3 2 362.500 -2.912 20 0 FAADLP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678619 793581800 /nfs/dbraw/zinc/58/18/00/793581800.db2.gz WODZODFIJBSNQH-UWVGGRQHSA-N 2 2 351.429 -3.838 20 0 FAADLP N[C@@H](C[NH3+])c1ccc(C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)cc1 ZINC001219680587 793583115 /nfs/dbraw/zinc/58/31/15/793583115.db2.gz OEXCWNAZEVYOQE-AWEZNQCLSA-N 2 2 355.464 -1.390 20 0 FAADLP N[C@H](C[NH3+])c1ccc(C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)cc1 ZINC001219680588 793583095 /nfs/dbraw/zinc/58/30/95/793583095.db2.gz OEXCWNAZEVYOQE-CQSZACIVSA-N 2 2 355.464 -1.390 20 0 FAADLP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC001219694131 793584985 /nfs/dbraw/zinc/58/49/85/793584985.db2.gz FQUVVQHZWQVASI-AVGNSLFASA-N 2 2 355.439 -2.112 20 0 FAADLP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC001219694131 793584977 /nfs/dbraw/zinc/58/49/77/793584977.db2.gz FQUVVQHZWQVASI-AVGNSLFASA-N 2 2 355.439 -2.112 20 0 FAADLP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC001219694132 793585148 /nfs/dbraw/zinc/58/51/48/793585148.db2.gz FQUVVQHZWQVASI-XQQFMLRXSA-N 2 2 355.439 -2.112 20 0 FAADLP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC001219694132 793585141 /nfs/dbraw/zinc/58/51/41/793585141.db2.gz FQUVVQHZWQVASI-XQQFMLRXSA-N 2 2 355.439 -2.112 20 0 FAADLP C[N@H+]1CCO[C@@H](CNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C1 ZINC001219694244 793585114 /nfs/dbraw/zinc/58/51/14/793585114.db2.gz HQSVDRZVNPLRIJ-JTQLQIEISA-N 2 2 358.399 -4.260 20 0 FAADLP C[N@@H+]1CCO[C@@H](CNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C1 ZINC001219694244 793585110 /nfs/dbraw/zinc/58/51/10/793585110.db2.gz HQSVDRZVNPLRIJ-JTQLQIEISA-N 2 2 358.399 -4.260 20 0 FAADLP C[N@H+]1CCO[C@H](CNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C1 ZINC001219694252 793584888 /nfs/dbraw/zinc/58/48/88/793584888.db2.gz HQSVDRZVNPLRIJ-SNVBAGLBSA-N 2 2 358.399 -4.260 20 0 FAADLP C[N@@H+]1CCO[C@H](CNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C1 ZINC001219694252 793584882 /nfs/dbraw/zinc/58/48/82/793584882.db2.gz HQSVDRZVNPLRIJ-SNVBAGLBSA-N 2 2 358.399 -4.260 20 0 FAADLP C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001219694451 793584910 /nfs/dbraw/zinc/58/49/10/793584910.db2.gz IZDJEGMFNLLHIE-ILXRZTDVSA-N 3 2 355.483 -1.120 20 0 FAADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001219694451 793584905 /nfs/dbraw/zinc/58/49/05/793584905.db2.gz IZDJEGMFNLLHIE-ILXRZTDVSA-N 3 2 355.483 -1.120 20 0 FAADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001219694458 793585027 /nfs/dbraw/zinc/58/50/27/793585027.db2.gz IZDJEGMFNLLHIE-KKUMJFAQSA-N 3 2 355.483 -1.120 20 0 FAADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001219694458 793585016 /nfs/dbraw/zinc/58/50/16/793585016.db2.gz IZDJEGMFNLLHIE-KKUMJFAQSA-N 3 2 355.483 -1.120 20 0 FAADLP CS(=O)(=O)c1ccc(CNC(=O)[C@@H](N)C[NH+]2CCC([NH3+])CC2)nc1 ZINC001219716682 793585481 /nfs/dbraw/zinc/58/54/81/793585481.db2.gz YEQAMPYZQGEDHN-AWEZNQCLSA-N 2 2 355.464 -1.148 20 0 FAADLP CS(=O)(=O)c1ccc(CNC(=O)[C@H](N)C[NH+]2CCC([NH3+])CC2)nc1 ZINC001219716683 793585429 /nfs/dbraw/zinc/58/54/29/793585429.db2.gz YEQAMPYZQGEDHN-CQSZACIVSA-N 2 2 355.464 -1.148 20 0 FAADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001219731533 793587539 /nfs/dbraw/zinc/58/75/39/793587539.db2.gz AOCUGORKCKDNIE-MCIONIFRSA-N 2 2 359.446 -1.147 20 0 FAADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001219731533 793587534 /nfs/dbraw/zinc/58/75/34/793587534.db2.gz AOCUGORKCKDNIE-MCIONIFRSA-N 2 2 359.446 -1.147 20 0 FAADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001219731534 793587850 /nfs/dbraw/zinc/58/78/50/793587850.db2.gz AOCUGORKCKDNIE-MJBXVCDLSA-N 2 2 359.446 -1.147 20 0 FAADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001219731534 793587841 /nfs/dbraw/zinc/58/78/41/793587841.db2.gz AOCUGORKCKDNIE-MJBXVCDLSA-N 2 2 359.446 -1.147 20 0 FAADLP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219765894 793604657 /nfs/dbraw/zinc/60/46/57/793604657.db2.gz GSWALHRDRXQCKD-RDBSUJKOSA-N 2 2 355.483 -1.345 20 0 FAADLP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219765894 793604653 /nfs/dbraw/zinc/60/46/53/793604653.db2.gz GSWALHRDRXQCKD-RDBSUJKOSA-N 2 2 355.483 -1.345 20 0 FAADLP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219765894 793604647 /nfs/dbraw/zinc/60/46/47/793604647.db2.gz GSWALHRDRXQCKD-RDBSUJKOSA-N 2 2 355.483 -1.345 20 0 FAADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@@H]2O)CCC1 ZINC001219798663 793608905 /nfs/dbraw/zinc/60/89/05/793608905.db2.gz QKLCIIZMFCVWJA-OLZOCXBDSA-N 2 2 352.435 -1.219 20 0 FAADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@@H]2O)CCC1 ZINC001219798663 793608900 /nfs/dbraw/zinc/60/89/00/793608900.db2.gz QKLCIIZMFCVWJA-OLZOCXBDSA-N 2 2 352.435 -1.219 20 0 FAADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@@H]2O)CCC1 ZINC001219798831 793609183 /nfs/dbraw/zinc/60/91/83/793609183.db2.gz VOIBWJFPUAQFIX-NEPJUHHUSA-N 2 2 353.423 -1.816 20 0 FAADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@@H]2O)CCC1 ZINC001219798831 793609177 /nfs/dbraw/zinc/60/91/77/793609177.db2.gz VOIBWJFPUAQFIX-NEPJUHHUSA-N 2 2 353.423 -1.816 20 0 FAADLP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219800320 793608936 /nfs/dbraw/zinc/60/89/36/793608936.db2.gz LKZSGRIXJMUMDP-ILXRZTDVSA-N 2 2 355.439 -2.017 20 0 FAADLP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001219800320 793608932 /nfs/dbraw/zinc/60/89/32/793608932.db2.gz LKZSGRIXJMUMDP-ILXRZTDVSA-N 2 2 355.439 -2.017 20 0 FAADLP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219800321 793609870 /nfs/dbraw/zinc/60/98/70/793609870.db2.gz LKZSGRIXJMUMDP-KFWWJZLASA-N 2 2 355.439 -2.017 20 0 FAADLP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001219800321 793609865 /nfs/dbraw/zinc/60/98/65/793609865.db2.gz LKZSGRIXJMUMDP-KFWWJZLASA-N 2 2 355.439 -2.017 20 0 FAADLP CN(CC[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1)S(C)(=O)=O ZINC001219802394 793610509 /nfs/dbraw/zinc/61/05/09/793610509.db2.gz MAHWRJWFRSFMQE-OLZOCXBDSA-N 2 2 362.496 -1.477 20 0 FAADLP CN(CC[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1)S(C)(=O)=O ZINC001219802394 793610507 /nfs/dbraw/zinc/61/05/07/793610507.db2.gz MAHWRJWFRSFMQE-OLZOCXBDSA-N 2 2 362.496 -1.477 20 0 FAADLP CN(CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](O)C1)S(C)(=O)=O ZINC001219804467 793610208 /nfs/dbraw/zinc/61/02/08/793610208.db2.gz XDODSCKANGHRDI-HZSPNIEDSA-N 2 2 362.496 -1.621 20 0 FAADLP CN(CC[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](O)C1)S(C)(=O)=O ZINC001219804467 793610202 /nfs/dbraw/zinc/61/02/02/793610202.db2.gz XDODSCKANGHRDI-HZSPNIEDSA-N 2 2 362.496 -1.621 20 0 FAADLP CN(CC[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](O)C1)S(C)(=O)=O ZINC001219804468 793610545 /nfs/dbraw/zinc/61/05/45/793610545.db2.gz XDODSCKANGHRDI-RDBSUJKOSA-N 2 2 362.496 -1.621 20 0 FAADLP CN(CC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](O)C1)S(C)(=O)=O ZINC001219804468 793610540 /nfs/dbraw/zinc/61/05/40/793610540.db2.gz XDODSCKANGHRDI-RDBSUJKOSA-N 2 2 362.496 -1.621 20 0 FAADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@@H]1O)C1CC1 ZINC001219805451 793610048 /nfs/dbraw/zinc/61/00/48/793610048.db2.gz IUAMJUVFOXZUME-DVOMOZLQSA-N 2 2 352.435 -1.363 20 0 FAADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@@H]1O)C1CC1 ZINC001219805451 793610045 /nfs/dbraw/zinc/61/00/45/793610045.db2.gz IUAMJUVFOXZUME-DVOMOZLQSA-N 2 2 352.435 -1.363 20 0 FAADLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@@H]1O)C1CC1 ZINC001219805452 793610486 /nfs/dbraw/zinc/61/04/86/793610486.db2.gz IUAMJUVFOXZUME-WWGRRREGSA-N 2 2 352.435 -1.363 20 0 FAADLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@@H]1O)C1CC1 ZINC001219805452 793610482 /nfs/dbraw/zinc/61/04/82/793610482.db2.gz IUAMJUVFOXZUME-WWGRRREGSA-N 2 2 352.435 -1.363 20 0 FAADLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O)C1CC1 ZINC001219805521 793610025 /nfs/dbraw/zinc/61/00/25/793610025.db2.gz LVUMRVFERDJZFD-DYEKYZERSA-N 2 2 353.423 -1.960 20 0 FAADLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O)C1CC1 ZINC001219805521 793610020 /nfs/dbraw/zinc/61/00/20/793610020.db2.gz LVUMRVFERDJZFD-DYEKYZERSA-N 2 2 353.423 -1.960 20 0 FAADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O)C1CC1 ZINC001219805522 793610388 /nfs/dbraw/zinc/61/03/88/793610388.db2.gz LVUMRVFERDJZFD-MBNYWOFBSA-N 2 2 353.423 -1.960 20 0 FAADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O)C1CC1 ZINC001219805522 793610382 /nfs/dbraw/zinc/61/03/82/793610382.db2.gz LVUMRVFERDJZFD-MBNYWOFBSA-N 2 2 353.423 -1.960 20 0 FAADLP CC(=O)NCSC[C@H]([NH3+])C(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219805844 793609913 /nfs/dbraw/zinc/60/99/13/793609913.db2.gz FAFCLJPDQVVCEU-LBPRGKRZSA-N 2 2 368.463 -1.493 20 0 FAADLP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219807536 793611265 /nfs/dbraw/zinc/61/12/65/793611265.db2.gz IAZHECHIKRRXCF-ONGXEEELSA-N 2 2 352.395 -2.823 20 0 FAADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@@H]1O)C1CCC1 ZINC001219812005 793612720 /nfs/dbraw/zinc/61/27/20/793612720.db2.gz HTALAGFCPHANEK-CABCVRRESA-N 2 2 354.451 -1.509 20 0 FAADLP C[NH+](CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@@H]1O)C1CCC1 ZINC001219812005 793612715 /nfs/dbraw/zinc/61/27/15/793612715.db2.gz HTALAGFCPHANEK-CABCVRRESA-N 2 2 354.451 -1.509 20 0 FAADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@@H]1O)C1CCC1 ZINC001219812005 793612709 /nfs/dbraw/zinc/61/27/09/793612709.db2.gz HTALAGFCPHANEK-CABCVRRESA-N 2 2 354.451 -1.509 20 0 FAADLP C[N@H+](CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@@H]1O)C1CCC1 ZINC001219812005 793612702 /nfs/dbraw/zinc/61/27/02/793612702.db2.gz HTALAGFCPHANEK-CABCVRRESA-N 2 2 354.451 -1.509 20 0 FAADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@@H]1O)C1CCC1 ZINC001219815693 793612271 /nfs/dbraw/zinc/61/22/71/793612271.db2.gz FTTQFEOBGIXQLI-KGLIPLIRSA-N 2 2 352.435 -1.219 20 0 FAADLP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@@H]1O)C1CCC1 ZINC001219815693 793612266 /nfs/dbraw/zinc/61/22/66/793612266.db2.gz FTTQFEOBGIXQLI-KGLIPLIRSA-N 2 2 352.435 -1.219 20 0 FAADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@@H]1O)C1CCC1 ZINC001219815693 793612262 /nfs/dbraw/zinc/61/22/62/793612262.db2.gz FTTQFEOBGIXQLI-KGLIPLIRSA-N 2 2 352.435 -1.219 20 0 FAADLP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@@H]1O)C1CCC1 ZINC001219815693 793612257 /nfs/dbraw/zinc/61/22/57/793612257.db2.gz FTTQFEOBGIXQLI-KGLIPLIRSA-N 2 2 352.435 -1.219 20 0 FAADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O)C1CCC1 ZINC001219815802 793612479 /nfs/dbraw/zinc/61/24/79/793612479.db2.gz KTNOZSUQSZCQNO-OLZOCXBDSA-N 2 2 353.423 -1.816 20 0 FAADLP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O)C1CCC1 ZINC001219815802 793612472 /nfs/dbraw/zinc/61/24/72/793612472.db2.gz KTNOZSUQSZCQNO-OLZOCXBDSA-N 2 2 353.423 -1.816 20 0 FAADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@@H]1O)C1CCC1 ZINC001219815802 793612466 /nfs/dbraw/zinc/61/24/66/793612466.db2.gz KTNOZSUQSZCQNO-OLZOCXBDSA-N 2 2 353.423 -1.816 20 0 FAADLP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@@H]1O)C1CCC1 ZINC001219815802 793612461 /nfs/dbraw/zinc/61/24/61/793612461.db2.gz KTNOZSUQSZCQNO-OLZOCXBDSA-N 2 2 353.423 -1.816 20 0 FAADLP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001219830199 793614062 /nfs/dbraw/zinc/61/40/62/793614062.db2.gz QWYUKVOIHCGFLR-MCIONIFRSA-N 2 2 362.496 -1.429 20 0 FAADLP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001219830199 793614058 /nfs/dbraw/zinc/61/40/58/793614058.db2.gz QWYUKVOIHCGFLR-MCIONIFRSA-N 2 2 362.496 -1.429 20 0 FAADLP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001219830199 793614055 /nfs/dbraw/zinc/61/40/55/793614055.db2.gz QWYUKVOIHCGFLR-MCIONIFRSA-N 2 2 362.496 -1.429 20 0 FAADLP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001219830199 793614050 /nfs/dbraw/zinc/61/40/50/793614050.db2.gz QWYUKVOIHCGFLR-MCIONIFRSA-N 2 2 362.496 -1.429 20 0 FAADLP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001219830200 793614186 /nfs/dbraw/zinc/61/41/86/793614186.db2.gz QWYUKVOIHCGFLR-MJBXVCDLSA-N 2 2 362.496 -1.429 20 0 FAADLP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001219830200 793614181 /nfs/dbraw/zinc/61/41/81/793614181.db2.gz QWYUKVOIHCGFLR-MJBXVCDLSA-N 2 2 362.496 -1.429 20 0 FAADLP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001219830200 793614174 /nfs/dbraw/zinc/61/41/74/793614174.db2.gz QWYUKVOIHCGFLR-MJBXVCDLSA-N 2 2 362.496 -1.429 20 0 FAADLP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001219830200 793614167 /nfs/dbraw/zinc/61/41/67/793614167.db2.gz QWYUKVOIHCGFLR-MJBXVCDLSA-N 2 2 362.496 -1.429 20 0 FAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219837476 793616237 /nfs/dbraw/zinc/61/62/37/793616237.db2.gz JVHBIEOUHUDBPZ-JLJPHGGASA-N 3 2 355.483 -1.752 20 0 FAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219837477 793616024 /nfs/dbraw/zinc/61/60/24/793616024.db2.gz JVHBIEOUHUDBPZ-KMFMINBZSA-N 3 2 355.483 -1.752 20 0 FAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219837478 793616341 /nfs/dbraw/zinc/61/63/41/793616341.db2.gz JVHBIEOUHUDBPZ-QRTARXTBSA-N 3 2 355.483 -1.752 20 0 FAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219837479 793616169 /nfs/dbraw/zinc/61/61/69/793616169.db2.gz JVHBIEOUHUDBPZ-UKPHBRMFSA-N 3 2 355.483 -1.752 20 0 FAADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O)[NH+](C)C ZINC001219845965 793618968 /nfs/dbraw/zinc/61/89/68/793618968.db2.gz XISJSCRUFPBEFC-RDBSUJKOSA-N 2 2 364.512 -1.375 20 0 FAADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O)[NH+](C)C ZINC001219845965 793618957 /nfs/dbraw/zinc/61/89/57/793618957.db2.gz XISJSCRUFPBEFC-RDBSUJKOSA-N 2 2 364.512 -1.375 20 0 FAADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O)[NH+](C)C ZINC001219846919 793618993 /nfs/dbraw/zinc/61/89/93/793618993.db2.gz JXEZCRVLRCSJEL-DYEKYZERSA-N 2 2 355.439 -1.714 20 0 FAADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O)[NH+](C)C ZINC001219846919 793618987 /nfs/dbraw/zinc/61/89/87/793618987.db2.gz JXEZCRVLRCSJEL-DYEKYZERSA-N 2 2 355.439 -1.714 20 0 FAADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@@H]1O)[NH+](C)C ZINC001219847939 793619092 /nfs/dbraw/zinc/61/90/92/793619092.db2.gz CPSQCEDJTJFXPD-WWGRRREGSA-N 2 2 354.451 -1.117 20 0 FAADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@@H]1O)[NH+](C)C ZINC001219847939 793619090 /nfs/dbraw/zinc/61/90/90/793619090.db2.gz CPSQCEDJTJFXPD-WWGRRREGSA-N 2 2 354.451 -1.117 20 0 FAADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCCS(=O)(=O)N(C)C)C[C@@H]1O)[NH+](C)C ZINC001219869626 793624245 /nfs/dbraw/zinc/62/42/45/793624245.db2.gz OYAOSELQKPUVLN-MCIONIFRSA-N 2 2 364.512 -1.231 20 0 FAADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCCS(=O)(=O)N(C)C)C[C@@H]1O)[NH+](C)C ZINC001219869626 793624236 /nfs/dbraw/zinc/62/42/36/793624236.db2.gz OYAOSELQKPUVLN-MCIONIFRSA-N 2 2 364.512 -1.231 20 0 FAADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCCNS(=O)(=O)CC)C[C@@H]1O)[NH+](C)C ZINC001219874886 793624713 /nfs/dbraw/zinc/62/47/13/793624713.db2.gz HAUWCOTUCRMLNA-MCIONIFRSA-N 2 2 364.512 -1.183 20 0 FAADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCCNS(=O)(=O)CC)C[C@@H]1O)[NH+](C)C ZINC001219874886 793624707 /nfs/dbraw/zinc/62/47/07/793624707.db2.gz HAUWCOTUCRMLNA-MCIONIFRSA-N 2 2 364.512 -1.183 20 0 FAADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O)[NH+](C)C ZINC001219875074 793624216 /nfs/dbraw/zinc/62/42/16/793624216.db2.gz OVIZNIOXNCADBG-UPJWGTAASA-N 2 2 350.485 -1.621 20 0 FAADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O)[NH+](C)C ZINC001219875074 793624209 /nfs/dbraw/zinc/62/42/09/793624209.db2.gz OVIZNIOXNCADBG-UPJWGTAASA-N 2 2 350.485 -1.621 20 0 FAADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219877476 793625152 /nfs/dbraw/zinc/62/51/52/793625152.db2.gz HKFOJDFHDQGDQA-MCIONIFRSA-N 2 2 356.467 -1.359 20 0 FAADLP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219877476 793625147 /nfs/dbraw/zinc/62/51/47/793625147.db2.gz HKFOJDFHDQGDQA-MCIONIFRSA-N 2 2 356.467 -1.359 20 0 FAADLP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219877477 793625492 /nfs/dbraw/zinc/62/54/92/793625492.db2.gz HKFOJDFHDQGDQA-MJBXVCDLSA-N 2 2 356.467 -1.359 20 0 FAADLP CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219877477 793625488 /nfs/dbraw/zinc/62/54/88/793625488.db2.gz HKFOJDFHDQGDQA-MJBXVCDLSA-N 2 2 356.467 -1.359 20 0 FAADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219877967 793625110 /nfs/dbraw/zinc/62/51/10/793625110.db2.gz VTYKWCPWHFPPKB-MCIONIFRSA-N 2 2 356.467 -1.230 20 0 FAADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219877967 793625105 /nfs/dbraw/zinc/62/51/05/793625105.db2.gz VTYKWCPWHFPPKB-MCIONIFRSA-N 2 2 356.467 -1.230 20 0 FAADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219877970 793625211 /nfs/dbraw/zinc/62/52/11/793625211.db2.gz VTYKWCPWHFPPKB-RDBSUJKOSA-N 2 2 356.467 -1.230 20 0 FAADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219877970 793625201 /nfs/dbraw/zinc/62/52/01/793625201.db2.gz VTYKWCPWHFPPKB-RDBSUJKOSA-N 2 2 356.467 -1.230 20 0 FAADLP CC(=O)NCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001219879876 793625824 /nfs/dbraw/zinc/62/58/24/793625824.db2.gz UDYOGUMFQGWVHS-OAGGEKHMSA-N 2 2 356.467 -1.215 20 0 FAADLP CC(=O)NCCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001219879876 793625820 /nfs/dbraw/zinc/62/58/20/793625820.db2.gz UDYOGUMFQGWVHS-OAGGEKHMSA-N 2 2 356.467 -1.215 20 0 FAADLP CC(=O)NCCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@@H](O)C1 ZINC001219879876 793625815 /nfs/dbraw/zinc/62/58/15/793625815.db2.gz UDYOGUMFQGWVHS-OAGGEKHMSA-N 2 2 356.467 -1.215 20 0 FAADLP CC(=O)NCCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@@H](O)C1 ZINC001219879876 793625811 /nfs/dbraw/zinc/62/58/11/793625811.db2.gz UDYOGUMFQGWVHS-OAGGEKHMSA-N 2 2 356.467 -1.215 20 0 FAADLP CC(=O)NCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001219879877 793625353 /nfs/dbraw/zinc/62/53/53/793625353.db2.gz UDYOGUMFQGWVHS-PMPSAXMXSA-N 2 2 356.467 -1.215 20 0 FAADLP CC(=O)NCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001219879877 793625349 /nfs/dbraw/zinc/62/53/49/793625349.db2.gz UDYOGUMFQGWVHS-PMPSAXMXSA-N 2 2 356.467 -1.215 20 0 FAADLP CC(=O)NCCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@@H](O)C1 ZINC001219879877 793625342 /nfs/dbraw/zinc/62/53/42/793625342.db2.gz UDYOGUMFQGWVHS-PMPSAXMXSA-N 2 2 356.467 -1.215 20 0 FAADLP CC(=O)NCCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@@H](O)C1 ZINC001219879877 793625329 /nfs/dbraw/zinc/62/53/29/793625329.db2.gz UDYOGUMFQGWVHS-PMPSAXMXSA-N 2 2 356.467 -1.215 20 0 FAADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O ZINC001219902999 793632311 /nfs/dbraw/zinc/63/23/11/793632311.db2.gz PFKRBGHXMKTKGQ-OLZOCXBDSA-N 2 2 364.512 -1.231 20 0 FAADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O ZINC001219902999 793632306 /nfs/dbraw/zinc/63/23/06/793632306.db2.gz PFKRBGHXMKTKGQ-OLZOCXBDSA-N 2 2 364.512 -1.231 20 0 FAADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCN(C)S(C)(=O)=O)C[C@@H]1O ZINC001219902999 793632294 /nfs/dbraw/zinc/63/22/94/793632294.db2.gz PFKRBGHXMKTKGQ-OLZOCXBDSA-N 2 2 364.512 -1.231 20 0 FAADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001219903048 793632580 /nfs/dbraw/zinc/63/25/80/793632580.db2.gz RAZYDIGUEFKGSD-NEPJUHHUSA-N 2 2 355.439 -1.570 20 0 FAADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001219903048 793632572 /nfs/dbraw/zinc/63/25/72/793632572.db2.gz RAZYDIGUEFKGSD-NEPJUHHUSA-N 2 2 355.439 -1.570 20 0 FAADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001219903048 793632559 /nfs/dbraw/zinc/63/25/59/793632559.db2.gz RAZYDIGUEFKGSD-NEPJUHHUSA-N 2 2 355.439 -1.570 20 0 FAADLP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC001219941050 793640789 /nfs/dbraw/zinc/64/07/89/793640789.db2.gz LXKSDBUCWWKIGV-KBPBESRZSA-N 2 2 356.467 -1.038 20 0 FAADLP Cc1c[nH]c(CCNC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])[nH+]1 ZINC001219951861 793643700 /nfs/dbraw/zinc/64/37/00/793643700.db2.gz FDKNBZMJPDRRQW-RYUDHWBXSA-N 2 2 350.423 -1.169 20 0 FAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C[NH2+]1 ZINC001219965292 793646319 /nfs/dbraw/zinc/64/63/19/793646319.db2.gz HYFXLVSYEGLUGU-UTUOFQBUSA-N 2 2 359.448 -1.580 20 0 FAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C[NH2+]1 ZINC001219965293 793646564 /nfs/dbraw/zinc/64/65/64/793646564.db2.gz HYFXLVSYEGLUGU-WOPDTQHZSA-N 2 2 359.448 -1.580 20 0 FAADLP COCCOC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001220010927 793652071 /nfs/dbraw/zinc/65/20/71/793652071.db2.gz IXEZKJJSZLAFDJ-KFWWJZLASA-N 2 2 356.423 -1.623 20 0 FAADLP COCCOC[C@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001220010927 793652066 /nfs/dbraw/zinc/65/20/66/793652066.db2.gz IXEZKJJSZLAFDJ-KFWWJZLASA-N 2 2 356.423 -1.623 20 0 FAADLP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001220010928 793652418 /nfs/dbraw/zinc/65/24/18/793652418.db2.gz IXEZKJJSZLAFDJ-ZNMIVQPWSA-N 2 2 356.423 -1.623 20 0 FAADLP COCCOC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001220010928 793652412 /nfs/dbraw/zinc/65/24/12/793652412.db2.gz IXEZKJJSZLAFDJ-ZNMIVQPWSA-N 2 2 356.423 -1.623 20 0 FAADLP CC(=O)NCCOCC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001220011123 793652927 /nfs/dbraw/zinc/65/29/27/793652927.db2.gz MPWNRGAZVNJAHI-CABCVRRESA-N 2 2 353.423 -1.494 20 0 FAADLP CC(=O)NCCOCC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001220011123 793652919 /nfs/dbraw/zinc/65/29/19/793652919.db2.gz MPWNRGAZVNJAHI-CABCVRRESA-N 2 2 353.423 -1.494 20 0 FAADLP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)NC1C[NH+](C)C1 ZINC001220013358 793652660 /nfs/dbraw/zinc/65/26/60/793652660.db2.gz SBDMVFXAPMQICS-KBPBESRZSA-N 2 2 353.467 -1.184 20 0 FAADLP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](O)C1 ZINC001220016101 793652126 /nfs/dbraw/zinc/65/21/26/793652126.db2.gz KCSXLQRSDIDHOC-BJJXKVORSA-N 2 2 352.435 -1.070 20 0 FAADLP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](O)C1 ZINC001220016101 793652116 /nfs/dbraw/zinc/65/21/16/793652116.db2.gz KCSXLQRSDIDHOC-BJJXKVORSA-N 2 2 352.435 -1.070 20 0 FAADLP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](O)C1 ZINC001220016102 793652975 /nfs/dbraw/zinc/65/29/75/793652975.db2.gz KCSXLQRSDIDHOC-XPKDYRNWSA-N 2 2 352.435 -1.070 20 0 FAADLP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](O)C1 ZINC001220016102 793652972 /nfs/dbraw/zinc/65/29/72/793652972.db2.gz KCSXLQRSDIDHOC-XPKDYRNWSA-N 2 2 352.435 -1.070 20 0 FAADLP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220016205 793653087 /nfs/dbraw/zinc/65/30/87/793653087.db2.gz NEMQEUAVABITOZ-ZBFHGGJFSA-N 2 2 352.435 -1.068 20 0 FAADLP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220016205 793653082 /nfs/dbraw/zinc/65/30/82/793653082.db2.gz NEMQEUAVABITOZ-ZBFHGGJFSA-N 2 2 352.435 -1.068 20 0 FAADLP COc1ccc(C[C@@H](C)NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])cc1S(N)(=O)=O ZINC001220041687 793655542 /nfs/dbraw/zinc/65/55/42/793655542.db2.gz WRSZDNXVVUMBGK-USWWRNFRSA-N 2 2 356.448 -1.064 20 0 FAADLP CCOC(=O)C(=CNC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1)C(=O)OCC ZINC001220043283 793655862 /nfs/dbraw/zinc/65/58/62/793655862.db2.gz MICZZOOFPLBBAP-CYBMUJFWSA-N 2 2 356.423 -1.137 20 0 FAADLP CCOC(=O)C(=CNC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1)C(=O)OCC ZINC001220043284 793655846 /nfs/dbraw/zinc/65/58/46/793655846.db2.gz MICZZOOFPLBBAP-ZDUSSCGKSA-N 2 2 356.423 -1.137 20 0 FAADLP CC(=O)NCCOCC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220105644 793666711 /nfs/dbraw/zinc/66/67/11/793666711.db2.gz FJUBQMXNBIZGIR-CABCVRRESA-N 2 2 353.423 -1.413 20 0 FAADLP CC(=O)NCCOCC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220105644 793666708 /nfs/dbraw/zinc/66/67/08/793666708.db2.gz FJUBQMXNBIZGIR-CABCVRRESA-N 2 2 353.423 -1.413 20 0 FAADLP COCCOC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220105675 793667153 /nfs/dbraw/zinc/66/71/53/793667153.db2.gz HCUQJANRWGKKAI-KFWWJZLASA-N 2 2 356.423 -1.542 20 0 FAADLP COCCOC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220105675 793667145 /nfs/dbraw/zinc/66/71/45/793667145.db2.gz HCUQJANRWGKKAI-KFWWJZLASA-N 2 2 356.423 -1.542 20 0 FAADLP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220105676 793666943 /nfs/dbraw/zinc/66/69/43/793666943.db2.gz HCUQJANRWGKKAI-ZNMIVQPWSA-N 2 2 356.423 -1.542 20 0 FAADLP COCCOC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220105676 793666938 /nfs/dbraw/zinc/66/69/38/793666938.db2.gz HCUQJANRWGKKAI-ZNMIVQPWSA-N 2 2 356.423 -1.542 20 0 FAADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@@H]2O)CC[NH+]1C ZINC001220214448 793679877 /nfs/dbraw/zinc/67/98/77/793679877.db2.gz CJNBDEQQMOFHOM-FQUUOJAGSA-N 2 2 362.496 -1.573 20 0 FAADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@H+](CCNS(C)(=O)=O)C[C@@H]2O)CC[NH+]1C ZINC001220214448 793679872 /nfs/dbraw/zinc/67/98/72/793679872.db2.gz CJNBDEQQMOFHOM-FQUUOJAGSA-N 2 2 362.496 -1.573 20 0 FAADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CCNS(C)(=O)=O)C[C@@H]2O)CC[N@H+]1C ZINC001220214448 793679867 /nfs/dbraw/zinc/67/98/67/793679867.db2.gz CJNBDEQQMOFHOM-FQUUOJAGSA-N 2 2 362.496 -1.573 20 0 FAADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CCNS(C)(=O)=O)C[C@@H]2O)CC[N@@H+]1C ZINC001220214448 793679862 /nfs/dbraw/zinc/67/98/62/793679862.db2.gz CJNBDEQQMOFHOM-FQUUOJAGSA-N 2 2 362.496 -1.573 20 0 FAADLP COCCOCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001220216706 793681410 /nfs/dbraw/zinc/68/14/10/793681410.db2.gz VCLKSPNLKNOQLF-OWCLPIDISA-N 2 2 359.467 -1.080 20 0 FAADLP COCCOCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001220216706 793681408 /nfs/dbraw/zinc/68/14/08/793681408.db2.gz VCLKSPNLKNOQLF-OWCLPIDISA-N 2 2 359.467 -1.080 20 0 FAADLP COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001220216706 793681403 /nfs/dbraw/zinc/68/14/03/793681403.db2.gz VCLKSPNLKNOQLF-OWCLPIDISA-N 2 2 359.467 -1.080 20 0 FAADLP COCCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001220216706 793681398 /nfs/dbraw/zinc/68/13/98/793681398.db2.gz VCLKSPNLKNOQLF-OWCLPIDISA-N 2 2 359.467 -1.080 20 0 FAADLP COCCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001220216707 793681012 /nfs/dbraw/zinc/68/10/12/793681012.db2.gz VCLKSPNLKNOQLF-PMPSAXMXSA-N 2 2 359.467 -1.080 20 0 FAADLP COCCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001220216707 793680999 /nfs/dbraw/zinc/68/09/99/793680999.db2.gz VCLKSPNLKNOQLF-PMPSAXMXSA-N 2 2 359.467 -1.080 20 0 FAADLP COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001220216707 793680995 /nfs/dbraw/zinc/68/09/95/793680995.db2.gz VCLKSPNLKNOQLF-PMPSAXMXSA-N 2 2 359.467 -1.080 20 0 FAADLP COCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001220216707 793680982 /nfs/dbraw/zinc/68/09/82/793680982.db2.gz VCLKSPNLKNOQLF-PMPSAXMXSA-N 2 2 359.467 -1.080 20 0 FAADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)CC2 ZINC001220224566 793681874 /nfs/dbraw/zinc/68/18/74/793681874.db2.gz SXAAUQRUIULUGW-BMFZPTHFSA-N 2 2 352.435 -1.076 20 0 FAADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)CC2 ZINC001220224566 793681869 /nfs/dbraw/zinc/68/18/69/793681869.db2.gz SXAAUQRUIULUGW-BMFZPTHFSA-N 2 2 352.435 -1.076 20 0 FAADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)CC2 ZINC001220224567 793682070 /nfs/dbraw/zinc/68/20/70/793682070.db2.gz SXAAUQRUIULUGW-IMJJTQAJSA-N 2 2 352.435 -1.076 20 0 FAADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)CC2 ZINC001220224567 793682064 /nfs/dbraw/zinc/68/20/64/793682064.db2.gz SXAAUQRUIULUGW-IMJJTQAJSA-N 2 2 352.435 -1.076 20 0 FAADLP CN(CC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1)S(C)(=O)=O ZINC001220230424 793683294 /nfs/dbraw/zinc/68/32/94/793683294.db2.gz DWJHMHXGGFJIIM-OLZOCXBDSA-N 2 2 362.496 -1.619 20 0 FAADLP CN(CC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1)S(C)(=O)=O ZINC001220230424 793683289 /nfs/dbraw/zinc/68/32/89/793683289.db2.gz DWJHMHXGGFJIIM-OLZOCXBDSA-N 2 2 362.496 -1.619 20 0 FAADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220230943 793683060 /nfs/dbraw/zinc/68/30/60/793683060.db2.gz VIZCUPMQOHBGKD-UPJWGTAASA-N 2 2 357.455 -1.276 20 0 FAADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220230943 793683057 /nfs/dbraw/zinc/68/30/57/793683057.db2.gz VIZCUPMQOHBGKD-UPJWGTAASA-N 2 2 357.455 -1.276 20 0 FAADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220230944 793683193 /nfs/dbraw/zinc/68/31/93/793683193.db2.gz VIZCUPMQOHBGKD-XQQFMLRXSA-N 2 2 357.455 -1.276 20 0 FAADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220230944 793683190 /nfs/dbraw/zinc/68/31/90/793683190.db2.gz VIZCUPMQOHBGKD-XQQFMLRXSA-N 2 2 357.455 -1.276 20 0 FAADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCS(=O)(=O)C3)C[C@@H]2O)CC1 ZINC001220230998 793682970 /nfs/dbraw/zinc/68/29/70/793682970.db2.gz WPUZYYWOPIMFIM-MCIONIFRSA-N 2 2 359.492 -1.076 20 0 FAADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCS(=O)(=O)C3)C[C@@H]2O)CC1 ZINC001220230998 793682964 /nfs/dbraw/zinc/68/29/64/793682964.db2.gz WPUZYYWOPIMFIM-MCIONIFRSA-N 2 2 359.492 -1.076 20 0 FAADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@@H]2O)CC1 ZINC001220231000 793683557 /nfs/dbraw/zinc/68/35/57/793683557.db2.gz WPUZYYWOPIMFIM-MJBXVCDLSA-N 2 2 359.492 -1.076 20 0 FAADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@@H]2O)CC1 ZINC001220231000 793683555 /nfs/dbraw/zinc/68/35/55/793683555.db2.gz WPUZYYWOPIMFIM-MJBXVCDLSA-N 2 2 359.492 -1.076 20 0 FAADLP CN(CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1)S(C)(=O)=O ZINC001220236967 793684111 /nfs/dbraw/zinc/68/41/11/793684111.db2.gz LYROJFPDKLQTDC-OLZOCXBDSA-N 2 2 350.485 -1.619 20 0 FAADLP CN(CC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1)S(C)(=O)=O ZINC001220236967 793684109 /nfs/dbraw/zinc/68/41/09/793684109.db2.gz LYROJFPDKLQTDC-OLZOCXBDSA-N 2 2 350.485 -1.619 20 0 FAADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001220237001 793683926 /nfs/dbraw/zinc/68/39/26/793683926.db2.gz MYXOJMIFKBBZRU-KGLIPLIRSA-N 2 2 362.496 -1.475 20 0 FAADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001220237001 793683923 /nfs/dbraw/zinc/68/39/23/793683923.db2.gz MYXOJMIFKBBZRU-KGLIPLIRSA-N 2 2 362.496 -1.475 20 0 FAADLP CCS(=O)(=O)NCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220238185 793685229 /nfs/dbraw/zinc/68/52/29/793685229.db2.gz OXXVMVGVQICCHB-OLZOCXBDSA-N 2 2 350.485 -1.571 20 0 FAADLP CCS(=O)(=O)NCC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220238185 793685224 /nfs/dbraw/zinc/68/52/24/793685224.db2.gz OXXVMVGVQICCHB-OLZOCXBDSA-N 2 2 350.485 -1.571 20 0 FAADLP C[C@@H]1CN(C(=O)C[N@@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C2)CCO1 ZINC001220238667 793685063 /nfs/dbraw/zinc/68/50/63/793685063.db2.gz ZMDLBLDHMUOMHP-KFWWJZLASA-N 2 2 356.467 -1.263 20 0 FAADLP C[C@@H]1CN(C(=O)C[N@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C2)CCO1 ZINC001220238667 793685059 /nfs/dbraw/zinc/68/50/59/793685059.db2.gz ZMDLBLDHMUOMHP-KFWWJZLASA-N 2 2 356.467 -1.263 20 0 FAADLP C[C@H]1CN(C(=O)C[N@@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C2)CCO1 ZINC001220238668 793685016 /nfs/dbraw/zinc/68/50/16/793685016.db2.gz ZMDLBLDHMUOMHP-ZNMIVQPWSA-N 2 2 356.467 -1.263 20 0 FAADLP C[C@H]1CN(C(=O)C[N@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C2)CCO1 ZINC001220238668 793685014 /nfs/dbraw/zinc/68/50/14/793685014.db2.gz ZMDLBLDHMUOMHP-ZNMIVQPWSA-N 2 2 356.467 -1.263 20 0 FAADLP Cc1[nH+]c[nH]c1CSCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001220259139 793689761 /nfs/dbraw/zinc/68/97/61/793689761.db2.gz YEIYNQJNNYRJSL-WPRPVWTQSA-N 2 2 356.452 -1.225 20 0 FAADLP CN(CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1)S(C)(=O)=O ZINC001220268962 793689559 /nfs/dbraw/zinc/68/95/59/793689559.db2.gz LUXRAHNISYAFFC-KGLIPLIRSA-N 2 2 362.496 -1.619 20 0 FAADLP CN(CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1)S(C)(=O)=O ZINC001220268962 793689556 /nfs/dbraw/zinc/68/95/56/793689556.db2.gz LUXRAHNISYAFFC-KGLIPLIRSA-N 2 2 362.496 -1.619 20 0 FAADLP CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273326 793690903 /nfs/dbraw/zinc/69/09/03/793690903.db2.gz HOIQPGCJHWXCDR-UPJWGTAASA-N 2 2 357.455 -1.278 20 0 FAADLP CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273326 793690900 /nfs/dbraw/zinc/69/09/00/793690900.db2.gz HOIQPGCJHWXCDR-UPJWGTAASA-N 2 2 357.455 -1.278 20 0 FAADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273327 793690382 /nfs/dbraw/zinc/69/03/82/793690382.db2.gz HOIQPGCJHWXCDR-XQQFMLRXSA-N 2 2 357.455 -1.278 20 0 FAADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273327 793690375 /nfs/dbraw/zinc/69/03/75/793690375.db2.gz HOIQPGCJHWXCDR-XQQFMLRXSA-N 2 2 357.455 -1.278 20 0 FAADLP Cn1c(=O)cc(C[N@@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)n(C)c1=O ZINC001220273500 793690453 /nfs/dbraw/zinc/69/04/53/793690453.db2.gz MSTKFRNLNACGBT-OLZOCXBDSA-N 2 2 353.423 -2.303 20 0 FAADLP Cn1c(=O)cc(C[N@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)n(C)c1=O ZINC001220273500 793690450 /nfs/dbraw/zinc/69/04/50/793690450.db2.gz MSTKFRNLNACGBT-OLZOCXBDSA-N 2 2 353.423 -2.303 20 0 FAADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273934 793690843 /nfs/dbraw/zinc/69/08/43/793690843.db2.gz XBRUWMBGPBTCPD-RTXFEEFZSA-N 2 2 355.439 -1.524 20 0 FAADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273934 793690837 /nfs/dbraw/zinc/69/08/37/793690837.db2.gz XBRUWMBGPBTCPD-RTXFEEFZSA-N 2 2 355.439 -1.524 20 0 FAADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273936 793690892 /nfs/dbraw/zinc/69/08/92/793690892.db2.gz XBRUWMBGPBTCPD-UHTWSYAYSA-N 2 2 355.439 -1.524 20 0 FAADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273936 793690891 /nfs/dbraw/zinc/69/08/91/793690891.db2.gz XBRUWMBGPBTCPD-UHTWSYAYSA-N 2 2 355.439 -1.524 20 0 FAADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@@H]1O)[NH+](C)C ZINC001220289762 793691677 /nfs/dbraw/zinc/69/16/77/793691677.db2.gz CPSQCEDJTJFXPD-DVOMOZLQSA-N 2 2 354.451 -1.117 20 0 FAADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@@H]1O)[NH+](C)C ZINC001220289762 793691671 /nfs/dbraw/zinc/69/16/71/793691671.db2.gz CPSQCEDJTJFXPD-DVOMOZLQSA-N 2 2 354.451 -1.117 20 0 FAADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O)[NH+](C)C ZINC001220289989 793691959 /nfs/dbraw/zinc/69/19/59/793691959.db2.gz JXEZCRVLRCSJEL-MBNYWOFBSA-N 2 2 355.439 -1.714 20 0 FAADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O)[NH+](C)C ZINC001220289989 793691953 /nfs/dbraw/zinc/69/19/53/793691953.db2.gz JXEZCRVLRCSJEL-MBNYWOFBSA-N 2 2 355.439 -1.714 20 0 FAADLP O=C(N[C@@H](CO)Cc1c[nH+]c[nH]1)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220290699 793691510 /nfs/dbraw/zinc/69/15/10/793691510.db2.gz BZWDVPNQGFUMQB-CHWSQXEVSA-N 2 2 356.448 -1.156 20 0 FAADLP O=C(N[C@@H](CO)Cc1c[nH]c[nH+]1)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220290699 793691504 /nfs/dbraw/zinc/69/15/04/793691504.db2.gz BZWDVPNQGFUMQB-CHWSQXEVSA-N 2 2 356.448 -1.156 20 0 FAADLP O=C(N[C@@H](CO)Cc1c[nH+]c[nH]1)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220290700 793692161 /nfs/dbraw/zinc/69/21/61/793692161.db2.gz BZWDVPNQGFUMQB-OLZOCXBDSA-N 2 2 356.448 -1.156 20 0 FAADLP O=C(N[C@@H](CO)Cc1c[nH]c[nH+]1)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220290700 793692155 /nfs/dbraw/zinc/69/21/55/793692155.db2.gz BZWDVPNQGFUMQB-OLZOCXBDSA-N 2 2 356.448 -1.156 20 0 FAADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O)[NH+](C)C ZINC001220297358 793692751 /nfs/dbraw/zinc/69/27/51/793692751.db2.gz XISJSCRUFPBEFC-HZSPNIEDSA-N 2 2 364.512 -1.375 20 0 FAADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O)[NH+](C)C ZINC001220297358 793692743 /nfs/dbraw/zinc/69/27/43/793692743.db2.gz XISJSCRUFPBEFC-HZSPNIEDSA-N 2 2 364.512 -1.375 20 0 FAADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)C2 ZINC001220355073 793698331 /nfs/dbraw/zinc/69/83/31/793698331.db2.gz CBLRDQFOBYVLJS-BMFZPTHFSA-N 2 2 352.435 -1.076 20 0 FAADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)C2 ZINC001220355073 793698327 /nfs/dbraw/zinc/69/83/27/793698327.db2.gz CBLRDQFOBYVLJS-BMFZPTHFSA-N 2 2 352.435 -1.076 20 0 FAADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)C2 ZINC001220355074 793698547 /nfs/dbraw/zinc/69/85/47/793698547.db2.gz CBLRDQFOBYVLJS-IMJJTQAJSA-N 2 2 352.435 -1.076 20 0 FAADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)C2 ZINC001220355074 793698543 /nfs/dbraw/zinc/69/85/43/793698543.db2.gz CBLRDQFOBYVLJS-IMJJTQAJSA-N 2 2 352.435 -1.076 20 0 FAADLP C[NH+](CC(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O)CC(C)(C)C ZINC001220366916 793700297 /nfs/dbraw/zinc/70/02/97/793700297.db2.gz GWLFLCYPNHRFNN-AGIUHOORSA-N 2 2 354.451 -1.069 20 0 FAADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O)CC(C)(C)C ZINC001220366916 793700292 /nfs/dbraw/zinc/70/02/92/793700292.db2.gz GWLFLCYPNHRFNN-AGIUHOORSA-N 2 2 354.451 -1.069 20 0 FAADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O)CC(C)(C)C ZINC001220366916 793700287 /nfs/dbraw/zinc/70/02/87/793700287.db2.gz GWLFLCYPNHRFNN-AGIUHOORSA-N 2 2 354.451 -1.069 20 0 FAADLP C[N@H+](CC(=O)N[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O)CC(C)(C)C ZINC001220366916 793700282 /nfs/dbraw/zinc/70/02/82/793700282.db2.gz GWLFLCYPNHRFNN-AGIUHOORSA-N 2 2 354.451 -1.069 20 0 FAADLP C[NH+](CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O)CC(C)(C)C ZINC001220366918 793701137 /nfs/dbraw/zinc/70/11/37/793701137.db2.gz GWLFLCYPNHRFNN-UPJWGTAASA-N 2 2 354.451 -1.069 20 0 FAADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O)CC(C)(C)C ZINC001220366918 793701133 /nfs/dbraw/zinc/70/11/33/793701133.db2.gz GWLFLCYPNHRFNN-UPJWGTAASA-N 2 2 354.451 -1.069 20 0 FAADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O)CC(C)(C)C ZINC001220366918 793701127 /nfs/dbraw/zinc/70/11/27/793701127.db2.gz GWLFLCYPNHRFNN-UPJWGTAASA-N 2 2 354.451 -1.069 20 0 FAADLP C[N@H+](CC(=O)N[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O)CC(C)(C)C ZINC001220366918 793701126 /nfs/dbraw/zinc/70/11/26/793701126.db2.gz GWLFLCYPNHRFNN-UPJWGTAASA-N 2 2 354.451 -1.069 20 0 FAADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@@H]1O)CC(C)(C)C ZINC001220369162 793700873 /nfs/dbraw/zinc/70/08/73/793700873.db2.gz BGWDTTIEHHBHGT-OLZOCXBDSA-N 2 2 364.512 -1.325 20 0 FAADLP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@@H]1O)CC(C)(C)C ZINC001220369162 793700864 /nfs/dbraw/zinc/70/08/64/793700864.db2.gz BGWDTTIEHHBHGT-OLZOCXBDSA-N 2 2 364.512 -1.325 20 0 FAADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@@H]1O)CC(C)(C)C ZINC001220369162 793700854 /nfs/dbraw/zinc/70/08/54/793700854.db2.gz BGWDTTIEHHBHGT-OLZOCXBDSA-N 2 2 364.512 -1.325 20 0 FAADLP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@@H]1O)CC(C)(C)C ZINC001220369162 793700847 /nfs/dbraw/zinc/70/08/47/793700847.db2.gz BGWDTTIEHHBHGT-OLZOCXBDSA-N 2 2 364.512 -1.325 20 0 FAADLP C[C@@H](C(=O)NC(N)=O)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369408 793700975 /nfs/dbraw/zinc/70/09/75/793700975.db2.gz IKYNSRUIKRIYJB-TUAOUCFPSA-N 2 2 357.455 -1.291 20 0 FAADLP C[C@@H](C(=O)NC(N)=O)[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369408 793700971 /nfs/dbraw/zinc/70/09/71/793700971.db2.gz IKYNSRUIKRIYJB-TUAOUCFPSA-N 2 2 357.455 -1.291 20 0 FAADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369408 793700966 /nfs/dbraw/zinc/70/09/66/793700966.db2.gz IKYNSRUIKRIYJB-TUAOUCFPSA-N 2 2 357.455 -1.291 20 0 FAADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369408 793700963 /nfs/dbraw/zinc/70/09/63/793700963.db2.gz IKYNSRUIKRIYJB-TUAOUCFPSA-N 2 2 357.455 -1.291 20 0 FAADLP C[C@H](C(=O)NC(N)=O)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369410 793700675 /nfs/dbraw/zinc/70/06/75/793700675.db2.gz IKYNSRUIKRIYJB-UTUOFQBUSA-N 2 2 357.455 -1.291 20 0 FAADLP C[C@H](C(=O)NC(N)=O)[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369410 793700667 /nfs/dbraw/zinc/70/06/67/793700667.db2.gz IKYNSRUIKRIYJB-UTUOFQBUSA-N 2 2 357.455 -1.291 20 0 FAADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369410 793700662 /nfs/dbraw/zinc/70/06/62/793700662.db2.gz IKYNSRUIKRIYJB-UTUOFQBUSA-N 2 2 357.455 -1.291 20 0 FAADLP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369410 793700655 /nfs/dbraw/zinc/70/06/55/793700655.db2.gz IKYNSRUIKRIYJB-UTUOFQBUSA-N 2 2 357.455 -1.291 20 0 FAADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCNS(=O)(=O)CC)C[C@@H]1O)[NH+](C)C ZINC001220377623 793702867 /nfs/dbraw/zinc/70/28/67/793702867.db2.gz HAUWCOTUCRMLNA-RDBSUJKOSA-N 2 2 364.512 -1.183 20 0 FAADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCCNS(=O)(=O)CC)C[C@@H]1O)[NH+](C)C ZINC001220377623 793702863 /nfs/dbraw/zinc/70/28/63/793702863.db2.gz HAUWCOTUCRMLNA-RDBSUJKOSA-N 2 2 364.512 -1.183 20 0 FAADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O)[NH+](C)C ZINC001220377811 793702994 /nfs/dbraw/zinc/70/29/94/793702994.db2.gz OVIZNIOXNCADBG-AGIUHOORSA-N 2 2 350.485 -1.621 20 0 FAADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O)[NH+](C)C ZINC001220377811 793702988 /nfs/dbraw/zinc/70/29/88/793702988.db2.gz OVIZNIOXNCADBG-AGIUHOORSA-N 2 2 350.485 -1.621 20 0 FAADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCS(=O)(=O)N(C)C)C[C@@H]1O)[NH+](C)C ZINC001220380066 793702461 /nfs/dbraw/zinc/70/24/61/793702461.db2.gz OYAOSELQKPUVLN-RDBSUJKOSA-N 2 2 364.512 -1.231 20 0 FAADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCCS(=O)(=O)N(C)C)C[C@@H]1O)[NH+](C)C ZINC001220380066 793702453 /nfs/dbraw/zinc/70/24/53/793702453.db2.gz OYAOSELQKPUVLN-RDBSUJKOSA-N 2 2 364.512 -1.231 20 0 FAADLP C[C@H](COCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1O)[NH+]1CCCC1 ZINC001220387734 793704278 /nfs/dbraw/zinc/70/42/78/793704278.db2.gz OWJHPAYLASOURZ-KFWWJZLASA-N 2 2 356.467 -1.263 20 0 FAADLP C[C@H](COCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1O)[NH+]1CCCC1 ZINC001220387734 793704273 /nfs/dbraw/zinc/70/42/73/793704273.db2.gz OWJHPAYLASOURZ-KFWWJZLASA-N 2 2 356.467 -1.263 20 0 FAADLP C[C@@H](COCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1O)[NH+]1CCCC1 ZINC001220387735 793703478 /nfs/dbraw/zinc/70/34/78/793703478.db2.gz OWJHPAYLASOURZ-ZNMIVQPWSA-N 2 2 356.467 -1.263 20 0 FAADLP C[C@@H](COCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1O)[NH+]1CCCC1 ZINC001220387735 793703471 /nfs/dbraw/zinc/70/34/71/793703471.db2.gz OWJHPAYLASOURZ-ZNMIVQPWSA-N 2 2 356.467 -1.263 20 0 FAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001220434160 793709542 /nfs/dbraw/zinc/70/95/42/793709542.db2.gz XKWXYPNIYKGNCI-GJZGRUSLSA-N 2 2 368.459 -1.130 20 0 FAADLP CC(C)[C@H](NC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1)C(=O)N1CCOCC1 ZINC001220454467 793713573 /nfs/dbraw/zinc/71/35/73/793713573.db2.gz WCYCQVHMXLBZSD-CABCVRRESA-N 2 2 355.483 -1.264 20 0 FAADLP CC(C)[C@H](NC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1)C(=O)N1CCOCC1 ZINC001220454468 793713708 /nfs/dbraw/zinc/71/37/08/793713708.db2.gz WCYCQVHMXLBZSD-GJZGRUSLSA-N 2 2 355.483 -1.264 20 0 FAADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220479117 793718429 /nfs/dbraw/zinc/71/84/29/793718429.db2.gz YOTQNUBIAARCKR-RTXFEEFZSA-N 2 2 355.439 -1.537 20 0 FAADLP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220479117 793718424 /nfs/dbraw/zinc/71/84/24/793718424.db2.gz YOTQNUBIAARCKR-RTXFEEFZSA-N 2 2 355.439 -1.537 20 0 FAADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220479118 793718278 /nfs/dbraw/zinc/71/82/78/793718278.db2.gz YOTQNUBIAARCKR-UHTWSYAYSA-N 2 2 355.439 -1.537 20 0 FAADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220479118 793718272 /nfs/dbraw/zinc/71/82/72/793718272.db2.gz YOTQNUBIAARCKR-UHTWSYAYSA-N 2 2 355.439 -1.537 20 0 FAADLP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@@H]2O)CC1 ZINC001220479130 793718363 /nfs/dbraw/zinc/71/83/63/793718363.db2.gz ZBNHWARMTVTOTF-KGLIPLIRSA-N 2 2 362.496 -1.571 20 0 FAADLP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](CCNS(C)(=O)=O)C[C@@H]2O)CC1 ZINC001220479130 793718355 /nfs/dbraw/zinc/71/83/55/793718355.db2.gz ZBNHWARMTVTOTF-KGLIPLIRSA-N 2 2 362.496 -1.571 20 0 FAADLP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220547983 793733535 /nfs/dbraw/zinc/73/35/35/793733535.db2.gz QMDIODYTVNXTRJ-CVEARBPZSA-N 2 2 359.467 -1.341 20 0 FAADLP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220547983 793733530 /nfs/dbraw/zinc/73/35/30/793733530.db2.gz QMDIODYTVNXTRJ-CVEARBPZSA-N 2 2 359.467 -1.341 20 0 FAADLP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553279 793734323 /nfs/dbraw/zinc/73/43/23/793734323.db2.gz FPZKBFWDAJCSQL-ILXRZTDVSA-N 2 2 356.467 -1.086 20 0 FAADLP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553279 793734314 /nfs/dbraw/zinc/73/43/14/793734314.db2.gz FPZKBFWDAJCSQL-ILXRZTDVSA-N 2 2 356.467 -1.086 20 0 FAADLP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553280 793734670 /nfs/dbraw/zinc/73/46/70/793734670.db2.gz FPZKBFWDAJCSQL-KFWWJZLASA-N 2 2 356.467 -1.086 20 0 FAADLP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553280 793734666 /nfs/dbraw/zinc/73/46/66/793734666.db2.gz FPZKBFWDAJCSQL-KFWWJZLASA-N 2 2 356.467 -1.086 20 0 FAADLP Cn1nccc1CC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553391 793734748 /nfs/dbraw/zinc/73/47/48/793734748.db2.gz HRZGJJYOGMZQPY-CVEARBPZSA-N 2 2 351.451 -1.154 20 0 FAADLP Cn1nccc1CC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553391 793734745 /nfs/dbraw/zinc/73/47/45/793734745.db2.gz HRZGJJYOGMZQPY-CVEARBPZSA-N 2 2 351.451 -1.154 20 0 FAADLP CN1CCC[C@H]([N@@H+]2C[C@@H](NC(=O)CC[NH+]3CCOCC3)[C@@H](O)C2)C1=O ZINC001220553416 793734486 /nfs/dbraw/zinc/73/44/86/793734486.db2.gz IWQIHQLAHUQRMQ-ILXRZTDVSA-N 2 2 354.451 -1.509 20 0 FAADLP CN1CCC[C@H]([N@H+]2C[C@@H](NC(=O)CC[NH+]3CCOCC3)[C@@H](O)C2)C1=O ZINC001220553416 793734479 /nfs/dbraw/zinc/73/44/79/793734479.db2.gz IWQIHQLAHUQRMQ-ILXRZTDVSA-N 2 2 354.451 -1.509 20 0 FAADLP CN1CCC[C@@H]([N@@H+]2C[C@@H](NC(=O)CC[NH+]3CCOCC3)[C@@H](O)C2)C1=O ZINC001220553417 793734851 /nfs/dbraw/zinc/73/48/51/793734851.db2.gz IWQIHQLAHUQRMQ-KFWWJZLASA-N 2 2 354.451 -1.509 20 0 FAADLP CN1CCC[C@@H]([N@H+]2C[C@@H](NC(=O)CC[NH+]3CCOCC3)[C@@H](O)C2)C1=O ZINC001220553417 793734847 /nfs/dbraw/zinc/73/48/47/793734847.db2.gz IWQIHQLAHUQRMQ-KFWWJZLASA-N 2 2 354.451 -1.509 20 0 FAADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001220553529 793734652 /nfs/dbraw/zinc/73/46/52/793734652.db2.gz KLWZIEXSRBLMCO-CABCVRRESA-N 2 2 354.451 -1.508 20 0 FAADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001220553529 793734650 /nfs/dbraw/zinc/73/46/50/793734650.db2.gz KLWZIEXSRBLMCO-CABCVRRESA-N 2 2 354.451 -1.508 20 0 FAADLP Cn1cc(CC[N@@H+]2C[C@@H](NC(=O)CC[NH+]3CCOCC3)[C@@H](O)C2)cn1 ZINC001220553712 793734595 /nfs/dbraw/zinc/73/45/95/793734595.db2.gz PXNSZMNAZXXMHF-CVEARBPZSA-N 2 2 351.451 -1.154 20 0 FAADLP Cn1cc(CC[N@H+]2C[C@@H](NC(=O)CC[NH+]3CCOCC3)[C@@H](O)C2)cn1 ZINC001220553712 793734591 /nfs/dbraw/zinc/73/45/91/793734591.db2.gz PXNSZMNAZXXMHF-CVEARBPZSA-N 2 2 351.451 -1.154 20 0 FAADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001220553921 793735688 /nfs/dbraw/zinc/73/56/88/793735688.db2.gz YDDAXSWAIIUPNH-KGLIPLIRSA-N 2 2 355.439 -2.105 20 0 FAADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001220553921 793735685 /nfs/dbraw/zinc/73/56/85/793735685.db2.gz YDDAXSWAIIUPNH-KGLIPLIRSA-N 2 2 355.439 -2.105 20 0 FAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCCNS(=O)(=O)CC)C[C@@H]1O ZINC001220578717 793741164 /nfs/dbraw/zinc/74/11/64/793741164.db2.gz PJMNYTSWCRLTJW-KGLIPLIRSA-N 2 2 364.512 -1.181 20 0 FAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCCNS(=O)(=O)CC)C[C@@H]1O ZINC001220578717 793741161 /nfs/dbraw/zinc/74/11/61/793741161.db2.gz PJMNYTSWCRLTJW-KGLIPLIRSA-N 2 2 364.512 -1.181 20 0 FAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001220578770 793740763 /nfs/dbraw/zinc/74/07/63/793740763.db2.gz QZNZEIKUQYXSPA-KGLIPLIRSA-N 2 2 362.496 -1.475 20 0 FAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001220578770 793740756 /nfs/dbraw/zinc/74/07/56/793740756.db2.gz QZNZEIKUQYXSPA-KGLIPLIRSA-N 2 2 362.496 -1.475 20 0 FAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O ZINC001220578776 793741246 /nfs/dbraw/zinc/74/12/46/793741246.db2.gz RDBHZCKOWSNHCK-OLZOCXBDSA-N 2 2 350.485 -1.619 20 0 FAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O ZINC001220578776 793741243 /nfs/dbraw/zinc/74/12/43/793741243.db2.gz RDBHZCKOWSNHCK-OLZOCXBDSA-N 2 2 350.485 -1.619 20 0 FAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCCS(=O)(=O)N(C)C)C[C@@H]1O ZINC001220585052 793742022 /nfs/dbraw/zinc/74/20/22/793742022.db2.gz VBQYUIPPFYFFDF-KGLIPLIRSA-N 2 2 364.512 -1.229 20 0 FAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCCS(=O)(=O)N(C)C)C[C@@H]1O ZINC001220585052 793742019 /nfs/dbraw/zinc/74/20/19/793742019.db2.gz VBQYUIPPFYFFDF-KGLIPLIRSA-N 2 2 364.512 -1.229 20 0 FAADLP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220637831 793750067 /nfs/dbraw/zinc/75/00/67/793750067.db2.gz NTUWCPCJLVTSKO-CFVMTHIKSA-N 2 2 356.467 -1.265 20 0 FAADLP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220637831 793750060 /nfs/dbraw/zinc/75/00/60/793750060.db2.gz NTUWCPCJLVTSKO-CFVMTHIKSA-N 2 2 356.467 -1.265 20 0 FAADLP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220637835 793749972 /nfs/dbraw/zinc/74/99/72/793749972.db2.gz NTUWCPCJLVTSKO-YUELXQCFSA-N 2 2 356.467 -1.265 20 0 FAADLP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220637835 793749969 /nfs/dbraw/zinc/74/99/69/793749969.db2.gz NTUWCPCJLVTSKO-YUELXQCFSA-N 2 2 356.467 -1.265 20 0 FAADLP CN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)COC3CC[NH+](C)CC3)[C@@H](O)C2)C1=O ZINC001220637975 793749784 /nfs/dbraw/zinc/74/97/84/793749784.db2.gz QNCJGBUVJKKDOC-ILXRZTDVSA-N 2 2 354.451 -1.511 20 0 FAADLP CN1CC[C@H]([N@H+]2C[C@@H](NC(=O)COC3CC[NH+](C)CC3)[C@@H](O)C2)C1=O ZINC001220637975 793749780 /nfs/dbraw/zinc/74/97/80/793749780.db2.gz QNCJGBUVJKKDOC-ILXRZTDVSA-N 2 2 354.451 -1.511 20 0 FAADLP CN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)COC3CC[NH+](C)CC3)[C@@H](O)C2)C1=O ZINC001220637976 793749942 /nfs/dbraw/zinc/74/99/42/793749942.db2.gz QNCJGBUVJKKDOC-KFWWJZLASA-N 2 2 354.451 -1.511 20 0 FAADLP CN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)COC3CC[NH+](C)CC3)[C@@H](O)C2)C1=O ZINC001220637976 793749939 /nfs/dbraw/zinc/74/99/39/793749939.db2.gz QNCJGBUVJKKDOC-KFWWJZLASA-N 2 2 354.451 -1.511 20 0 FAADLP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@H]2O)CC1 ZINC001220642662 793750005 /nfs/dbraw/zinc/75/00/05/793750005.db2.gz HQFRZAJUMLXFNJ-CABCVRRESA-N 2 2 354.451 -1.509 20 0 FAADLP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@@H]2O)CC1 ZINC001220642662 793749996 /nfs/dbraw/zinc/74/99/96/793749996.db2.gz HQFRZAJUMLXFNJ-CABCVRRESA-N 2 2 354.451 -1.509 20 0 FAADLP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@@H]2O)CC1 ZINC001220642675 793750094 /nfs/dbraw/zinc/75/00/94/793750094.db2.gz IGNRDGOLLZQHRO-ILXRZTDVSA-N 2 2 354.451 -1.463 20 0 FAADLP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@H]2O)CC1 ZINC001220642675 793750085 /nfs/dbraw/zinc/75/00/85/793750085.db2.gz IGNRDGOLLZQHRO-ILXRZTDVSA-N 2 2 354.451 -1.463 20 0 FAADLP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@@H]2O)CC1 ZINC001220642676 793749934 /nfs/dbraw/zinc/74/99/34/793749934.db2.gz IGNRDGOLLZQHRO-KFWWJZLASA-N 2 2 354.451 -1.463 20 0 FAADLP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@H]2O)CC1 ZINC001220642676 793749931 /nfs/dbraw/zinc/74/99/31/793749931.db2.gz IGNRDGOLLZQHRO-KFWWJZLASA-N 2 2 354.451 -1.463 20 0 FAADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220643279 793751074 /nfs/dbraw/zinc/75/10/74/793751074.db2.gz YHMAZTIRRSCGRW-CABCVRRESA-N 2 2 356.467 -1.263 20 0 FAADLP CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220643279 793751067 /nfs/dbraw/zinc/75/10/67/793751067.db2.gz YHMAZTIRRSCGRW-CABCVRRESA-N 2 2 356.467 -1.263 20 0 FAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001220683462 793758227 /nfs/dbraw/zinc/75/82/27/793758227.db2.gz SZMKODACXQNDBB-KGLIPLIRSA-N 2 2 362.496 -1.475 20 0 FAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001220683462 793758224 /nfs/dbraw/zinc/75/82/24/793758224.db2.gz SZMKODACXQNDBB-KGLIPLIRSA-N 2 2 362.496 -1.475 20 0 FAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001220683462 793758215 /nfs/dbraw/zinc/75/82/15/793758215.db2.gz SZMKODACXQNDBB-KGLIPLIRSA-N 2 2 362.496 -1.475 20 0 FAADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001220683462 793758208 /nfs/dbraw/zinc/75/82/08/793758208.db2.gz SZMKODACXQNDBB-KGLIPLIRSA-N 2 2 362.496 -1.475 20 0 FAADLP CCNC(=O)NC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001220683607 793757911 /nfs/dbraw/zinc/75/79/11/793757911.db2.gz WMAKUWRAJNNXBW-UPJWGTAASA-N 2 2 357.455 -1.276 20 0 FAADLP CCNC(=O)NC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001220683607 793757900 /nfs/dbraw/zinc/75/79/00/793757900.db2.gz WMAKUWRAJNNXBW-UPJWGTAASA-N 2 2 357.455 -1.276 20 0 FAADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001220683607 793757894 /nfs/dbraw/zinc/75/78/94/793757894.db2.gz WMAKUWRAJNNXBW-UPJWGTAASA-N 2 2 357.455 -1.276 20 0 FAADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001220683607 793757885 /nfs/dbraw/zinc/75/78/85/793757885.db2.gz WMAKUWRAJNNXBW-UPJWGTAASA-N 2 2 357.455 -1.276 20 0 FAADLP CCNC(=O)NC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001220683608 793758314 /nfs/dbraw/zinc/75/83/14/793758314.db2.gz WMAKUWRAJNNXBW-XQQFMLRXSA-N 2 2 357.455 -1.276 20 0 FAADLP CCNC(=O)NC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001220683608 793758308 /nfs/dbraw/zinc/75/83/08/793758308.db2.gz WMAKUWRAJNNXBW-XQQFMLRXSA-N 2 2 357.455 -1.276 20 0 FAADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001220683608 793758300 /nfs/dbraw/zinc/75/83/00/793758300.db2.gz WMAKUWRAJNNXBW-XQQFMLRXSA-N 2 2 357.455 -1.276 20 0 FAADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001220683608 793758292 /nfs/dbraw/zinc/75/82/92/793758292.db2.gz WMAKUWRAJNNXBW-XQQFMLRXSA-N 2 2 357.455 -1.276 20 0 FAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCNS(=O)(=O)CC)C[C@@H]1O ZINC001220688439 793759409 /nfs/dbraw/zinc/75/94/09/793759409.db2.gz GOTGEKRQANKJOR-OLZOCXBDSA-N 2 2 350.485 -1.571 20 0 FAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCNS(=O)(=O)CC)C[C@@H]1O ZINC001220688439 793759399 /nfs/dbraw/zinc/75/93/99/793759399.db2.gz GOTGEKRQANKJOR-OLZOCXBDSA-N 2 2 350.485 -1.571 20 0 FAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCNS(=O)(=O)CC)C[C@@H]1O ZINC001220688439 793759396 /nfs/dbraw/zinc/75/93/96/793759396.db2.gz GOTGEKRQANKJOR-OLZOCXBDSA-N 2 2 350.485 -1.571 20 0 FAADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCNS(=O)(=O)CC)C[C@@H]1O ZINC001220688439 793759391 /nfs/dbraw/zinc/75/93/91/793759391.db2.gz GOTGEKRQANKJOR-OLZOCXBDSA-N 2 2 350.485 -1.571 20 0 FAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCO[C@H](C)C2)C[C@@H]1O ZINC001220688610 793759888 /nfs/dbraw/zinc/75/98/88/793759888.db2.gz MJNJEDYEEUNPIW-KFWWJZLASA-N 2 2 356.467 -1.263 20 0 FAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCO[C@H](C)C2)C[C@@H]1O ZINC001220688610 793759884 /nfs/dbraw/zinc/75/98/84/793759884.db2.gz MJNJEDYEEUNPIW-KFWWJZLASA-N 2 2 356.467 -1.263 20 0 FAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCO[C@H](C)C2)C[C@@H]1O ZINC001220688610 793759877 /nfs/dbraw/zinc/75/98/77/793759877.db2.gz MJNJEDYEEUNPIW-KFWWJZLASA-N 2 2 356.467 -1.263 20 0 FAADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCO[C@H](C)C2)C[C@@H]1O ZINC001220688610 793759873 /nfs/dbraw/zinc/75/98/73/793759873.db2.gz MJNJEDYEEUNPIW-KFWWJZLASA-N 2 2 356.467 -1.263 20 0 FAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@@H]1O ZINC001220688611 793759531 /nfs/dbraw/zinc/75/95/31/793759531.db2.gz MJNJEDYEEUNPIW-ZNMIVQPWSA-N 2 2 356.467 -1.263 20 0 FAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@@H]1O ZINC001220688611 793759527 /nfs/dbraw/zinc/75/95/27/793759527.db2.gz MJNJEDYEEUNPIW-ZNMIVQPWSA-N 2 2 356.467 -1.263 20 0 FAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCO[C@@H](C)C2)C[C@@H]1O ZINC001220688611 793759524 /nfs/dbraw/zinc/75/95/24/793759524.db2.gz MJNJEDYEEUNPIW-ZNMIVQPWSA-N 2 2 356.467 -1.263 20 0 FAADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCO[C@@H](C)C2)C[C@@H]1O ZINC001220688611 793759518 /nfs/dbraw/zinc/75/95/18/793759518.db2.gz MJNJEDYEEUNPIW-ZNMIVQPWSA-N 2 2 356.467 -1.263 20 0 FAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O ZINC001220688616 793759012 /nfs/dbraw/zinc/75/90/12/793759012.db2.gz MQYHSESYPSZGTO-OLZOCXBDSA-N 2 2 350.485 -1.619 20 0 FAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O ZINC001220688616 793759005 /nfs/dbraw/zinc/75/90/05/793759005.db2.gz MQYHSESYPSZGTO-OLZOCXBDSA-N 2 2 350.485 -1.619 20 0 FAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCN(C)S(C)(=O)=O)C[C@@H]1O ZINC001220688616 793759000 /nfs/dbraw/zinc/75/90/00/793759000.db2.gz MQYHSESYPSZGTO-OLZOCXBDSA-N 2 2 350.485 -1.619 20 0 FAADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCN(C)S(C)(=O)=O)C[C@@H]1O ZINC001220688616 793758992 /nfs/dbraw/zinc/75/89/92/793758992.db2.gz MQYHSESYPSZGTO-OLZOCXBDSA-N 2 2 350.485 -1.619 20 0 FAADLP CCS(=O)(=O)NCC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220755303 793772176 /nfs/dbraw/zinc/77/21/76/793772176.db2.gz KQQTXAKNYOXUOT-MCIONIFRSA-N 2 2 362.496 -1.571 20 0 FAADLP CCS(=O)(=O)NCC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220755303 793772167 /nfs/dbraw/zinc/77/21/67/793772167.db2.gz KQQTXAKNYOXUOT-MCIONIFRSA-N 2 2 362.496 -1.571 20 0 FAADLP CCS(=O)(=O)NCC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220755303 793772162 /nfs/dbraw/zinc/77/21/62/793772162.db2.gz KQQTXAKNYOXUOT-MCIONIFRSA-N 2 2 362.496 -1.571 20 0 FAADLP CCS(=O)(=O)NCC[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220755303 793772156 /nfs/dbraw/zinc/77/21/56/793772156.db2.gz KQQTXAKNYOXUOT-MCIONIFRSA-N 2 2 362.496 -1.571 20 0 FAADLP CCS(=O)(=O)NCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220755304 793772530 /nfs/dbraw/zinc/77/25/30/793772530.db2.gz KQQTXAKNYOXUOT-MJBXVCDLSA-N 2 2 362.496 -1.571 20 0 FAADLP CCS(=O)(=O)NCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220755304 793772521 /nfs/dbraw/zinc/77/25/21/793772521.db2.gz KQQTXAKNYOXUOT-MJBXVCDLSA-N 2 2 362.496 -1.571 20 0 FAADLP CCS(=O)(=O)NCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220755304 793772512 /nfs/dbraw/zinc/77/25/12/793772512.db2.gz KQQTXAKNYOXUOT-MJBXVCDLSA-N 2 2 362.496 -1.571 20 0 FAADLP CCS(=O)(=O)NCC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220755304 793772507 /nfs/dbraw/zinc/77/25/07/793772507.db2.gz KQQTXAKNYOXUOT-MJBXVCDLSA-N 2 2 362.496 -1.571 20 0 FAADLP CN(CC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1)S(C)(=O)=O ZINC001220755458 793772679 /nfs/dbraw/zinc/77/26/79/793772679.db2.gz PIFCPMZEDVIHJN-MCIONIFRSA-N 2 2 362.496 -1.619 20 0 FAADLP CN(CC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](O)C1)S(C)(=O)=O ZINC001220755458 793772674 /nfs/dbraw/zinc/77/26/74/793772674.db2.gz PIFCPMZEDVIHJN-MCIONIFRSA-N 2 2 362.496 -1.619 20 0 FAADLP CN(CC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1)S(C)(=O)=O ZINC001220755458 793772670 /nfs/dbraw/zinc/77/26/70/793772670.db2.gz PIFCPMZEDVIHJN-MCIONIFRSA-N 2 2 362.496 -1.619 20 0 FAADLP CN(CC[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1)S(C)(=O)=O ZINC001220755458 793772665 /nfs/dbraw/zinc/77/26/65/793772665.db2.gz PIFCPMZEDVIHJN-MCIONIFRSA-N 2 2 362.496 -1.619 20 0 FAADLP CN(CC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1)S(C)(=O)=O ZINC001220755459 793772782 /nfs/dbraw/zinc/77/27/82/793772782.db2.gz PIFCPMZEDVIHJN-MJBXVCDLSA-N 2 2 362.496 -1.619 20 0 FAADLP CN(CC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1)S(C)(=O)=O ZINC001220755459 793772777 /nfs/dbraw/zinc/77/27/77/793772777.db2.gz PIFCPMZEDVIHJN-MJBXVCDLSA-N 2 2 362.496 -1.619 20 0 FAADLP CN(CC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1)S(C)(=O)=O ZINC001220755459 793772772 /nfs/dbraw/zinc/77/27/72/793772772.db2.gz PIFCPMZEDVIHJN-MJBXVCDLSA-N 2 2 362.496 -1.619 20 0 FAADLP CN(CC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1)S(C)(=O)=O ZINC001220755459 793772769 /nfs/dbraw/zinc/77/27/69/793772769.db2.gz PIFCPMZEDVIHJN-MJBXVCDLSA-N 2 2 362.496 -1.619 20 0 FAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCCCN1CCS(=O)(=O)CC1 ZINC001220756583 793772440 /nfs/dbraw/zinc/77/24/40/793772440.db2.gz FYOXUJJAOZOROR-AWEZNQCLSA-N 2 2 361.512 -2.027 20 0 FAADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCCCN1CCS(=O)(=O)CC1 ZINC001220756584 793772106 /nfs/dbraw/zinc/77/21/06/793772106.db2.gz FYOXUJJAOZOROR-CQSZACIVSA-N 2 2 361.512 -2.027 20 0 FAADLP CC(=O)NCCOCC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001220757549 793773220 /nfs/dbraw/zinc/77/32/20/793773220.db2.gz LGQUUCHHYCWFES-CABCVRRESA-N 2 2 353.423 -1.723 20 0 FAADLP CC(=O)NCCOCC[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001220757549 793773209 /nfs/dbraw/zinc/77/32/09/793773209.db2.gz LGQUUCHHYCWFES-CABCVRRESA-N 2 2 353.423 -1.723 20 0 FAADLP COCCOC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001220757617 793773425 /nfs/dbraw/zinc/77/34/25/793773425.db2.gz PAZLSYQELFPVLH-KFWWJZLASA-N 2 2 356.423 -1.852 20 0 FAADLP COCCOC[C@H](O)C[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001220757617 793773419 /nfs/dbraw/zinc/77/34/19/793773419.db2.gz PAZLSYQELFPVLH-KFWWJZLASA-N 2 2 356.423 -1.852 20 0 FAADLP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001220757618 793773482 /nfs/dbraw/zinc/77/34/82/793773482.db2.gz PAZLSYQELFPVLH-ZNMIVQPWSA-N 2 2 356.423 -1.852 20 0 FAADLP COCCOC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001220757618 793773476 /nfs/dbraw/zinc/77/34/76/793773476.db2.gz PAZLSYQELFPVLH-ZNMIVQPWSA-N 2 2 356.423 -1.852 20 0 FAADLP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764361 793775017 /nfs/dbraw/zinc/77/50/17/793775017.db2.gz IUMNUIPQETZGHL-KFWWJZLASA-N 2 2 358.483 -1.019 20 0 FAADLP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764361 793775012 /nfs/dbraw/zinc/77/50/12/793775012.db2.gz IUMNUIPQETZGHL-KFWWJZLASA-N 2 2 358.483 -1.019 20 0 FAADLP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764362 793775409 /nfs/dbraw/zinc/77/54/09/793775409.db2.gz IUMNUIPQETZGHL-ZNMIVQPWSA-N 2 2 358.483 -1.019 20 0 FAADLP CC(C)N(C)C(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764362 793775404 /nfs/dbraw/zinc/77/54/04/793775404.db2.gz IUMNUIPQETZGHL-ZNMIVQPWSA-N 2 2 358.483 -1.019 20 0 FAADLP CC(C)CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764487 793774845 /nfs/dbraw/zinc/77/48/45/793774845.db2.gz MNEUABSNXFTXHZ-KFWWJZLASA-N 2 2 358.483 -1.113 20 0 FAADLP CC(C)CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764487 793774836 /nfs/dbraw/zinc/77/48/36/793774836.db2.gz MNEUABSNXFTXHZ-KFWWJZLASA-N 2 2 358.483 -1.113 20 0 FAADLP CC(C)CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764488 793774914 /nfs/dbraw/zinc/77/49/14/793774914.db2.gz MNEUABSNXFTXHZ-ZNMIVQPWSA-N 2 2 358.483 -1.113 20 0 FAADLP CC(C)CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764488 793774905 /nfs/dbraw/zinc/77/49/05/793774905.db2.gz MNEUABSNXFTXHZ-ZNMIVQPWSA-N 2 2 358.483 -1.113 20 0 FAADLP CCN(C(=O)C[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1)C1CC1 ZINC001220764529 793775459 /nfs/dbraw/zinc/77/54/59/793775459.db2.gz NXNLRYBKYKTKFC-CABCVRRESA-N 2 2 356.467 -1.263 20 0 FAADLP CCN(C(=O)C[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1)C1CC1 ZINC001220764529 793775454 /nfs/dbraw/zinc/77/54/54/793775454.db2.gz NXNLRYBKYKTKFC-CABCVRRESA-N 2 2 356.467 -1.263 20 0 FAADLP CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764661 793774865 /nfs/dbraw/zinc/77/48/65/793774865.db2.gz RMGMWNGJTAGJRT-KFWWJZLASA-N 2 2 358.483 -1.017 20 0 FAADLP CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764661 793774858 /nfs/dbraw/zinc/77/48/58/793774858.db2.gz RMGMWNGJTAGJRT-KFWWJZLASA-N 2 2 358.483 -1.017 20 0 FAADLP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764662 793774665 /nfs/dbraw/zinc/77/46/65/793774665.db2.gz RMGMWNGJTAGJRT-ZNMIVQPWSA-N 2 2 358.483 -1.017 20 0 FAADLP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764662 793774661 /nfs/dbraw/zinc/77/46/61/793774661.db2.gz RMGMWNGJTAGJRT-ZNMIVQPWSA-N 2 2 358.483 -1.017 20 0 FAADLP CC(C)N1CC[C@H]([N@@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)C1=O ZINC001220764721 793775473 /nfs/dbraw/zinc/77/54/73/793775473.db2.gz UDUFLNRQDFMQFW-ILXRZTDVSA-N 2 2 356.467 -1.265 20 0 FAADLP CC(C)N1CC[C@H]([N@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)C1=O ZINC001220764721 793775466 /nfs/dbraw/zinc/77/54/66/793775466.db2.gz UDUFLNRQDFMQFW-ILXRZTDVSA-N 2 2 356.467 -1.265 20 0 FAADLP CC(C)N1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)C1=O ZINC001220764722 793774785 /nfs/dbraw/zinc/77/47/85/793774785.db2.gz UDUFLNRQDFMQFW-KFWWJZLASA-N 2 2 356.467 -1.265 20 0 FAADLP CC(C)N1CC[C@@H]([N@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)C1=O ZINC001220764722 793774780 /nfs/dbraw/zinc/77/47/80/793774780.db2.gz UDUFLNRQDFMQFW-KFWWJZLASA-N 2 2 356.467 -1.265 20 0 FAADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@@H]1O ZINC001220767067 793774934 /nfs/dbraw/zinc/77/49/34/793774934.db2.gz MHBABFZBWMJMTH-CABCVRRESA-N 2 2 356.467 -1.262 20 0 FAADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@@H]1O ZINC001220767067 793774928 /nfs/dbraw/zinc/77/49/28/793774928.db2.gz MHBABFZBWMJMTH-CABCVRRESA-N 2 2 356.467 -1.262 20 0 FAADLP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768243 793775107 /nfs/dbraw/zinc/77/51/07/793775107.db2.gz BZWVUJAGARBPHY-KGLIPLIRSA-N 2 2 359.471 -1.567 20 0 FAADLP CC(C)NC(=O)NCC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768243 793775099 /nfs/dbraw/zinc/77/50/99/793775099.db2.gz BZWVUJAGARBPHY-KGLIPLIRSA-N 2 2 359.471 -1.567 20 0 FAADLP CN(CC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1)S(C)(=O)=O ZINC001220768284 793775172 /nfs/dbraw/zinc/77/51/72/793775172.db2.gz DWYAXNQYVBDJMF-OLZOCXBDSA-N 2 2 366.484 -2.383 20 0 FAADLP CN(CC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1)S(C)(=O)=O ZINC001220768284 793775164 /nfs/dbraw/zinc/77/51/64/793775164.db2.gz DWYAXNQYVBDJMF-OLZOCXBDSA-N 2 2 366.484 -2.383 20 0 FAADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001220768287 793774647 /nfs/dbraw/zinc/77/46/47/793774647.db2.gz FAPJPJBJKWQASW-MCIONIFRSA-N 2 2 363.480 -1.839 20 0 FAADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001220768287 793774642 /nfs/dbraw/zinc/77/46/42/793774642.db2.gz FAPJPJBJKWQASW-MCIONIFRSA-N 2 2 363.480 -1.839 20 0 FAADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001220768288 793775321 /nfs/dbraw/zinc/77/53/21/793775321.db2.gz FAPJPJBJKWQASW-MJBXVCDLSA-N 2 2 363.480 -1.839 20 0 FAADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001220768288 793775315 /nfs/dbraw/zinc/77/53/15/793775315.db2.gz FAPJPJBJKWQASW-MJBXVCDLSA-N 2 2 363.480 -1.839 20 0 FAADLP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001220770926 793776270 /nfs/dbraw/zinc/77/62/70/793776270.db2.gz AVDLPERXUQSQJU-KGLIPLIRSA-N 2 2 353.467 -1.049 20 0 FAADLP CC(C)NC(=O)NCC[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001220770926 793776268 /nfs/dbraw/zinc/77/62/68/793776268.db2.gz AVDLPERXUQSQJU-KGLIPLIRSA-N 2 2 353.467 -1.049 20 0 FAADLP C[C@H](C[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1)CS(C)(=O)=O ZINC001220771093 793776177 /nfs/dbraw/zinc/77/61/77/793776177.db2.gz FKNPZTWUQXQKAZ-MCIONIFRSA-N 2 2 359.492 -1.076 20 0 FAADLP C[C@H](C[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1)CS(C)(=O)=O ZINC001220771093 793776170 /nfs/dbraw/zinc/77/61/70/793776170.db2.gz FKNPZTWUQXQKAZ-MCIONIFRSA-N 2 2 359.492 -1.076 20 0 FAADLP C[C@@H](C[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1)CS(C)(=O)=O ZINC001220771094 793776418 /nfs/dbraw/zinc/77/64/18/793776418.db2.gz FKNPZTWUQXQKAZ-MJBXVCDLSA-N 2 2 359.492 -1.076 20 0 FAADLP C[C@@H](C[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1)CS(C)(=O)=O ZINC001220771094 793776413 /nfs/dbraw/zinc/77/64/13/793776413.db2.gz FKNPZTWUQXQKAZ-MJBXVCDLSA-N 2 2 359.492 -1.076 20 0 FAADLP CN(CC[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1)S(C)(=O)=O ZINC001220771173 793776366 /nfs/dbraw/zinc/77/63/66/793776366.db2.gz HXLXPUCNWVTCJG-OLZOCXBDSA-N 2 2 360.480 -1.865 20 0 FAADLP CN(CC[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1)S(C)(=O)=O ZINC001220771173 793776360 /nfs/dbraw/zinc/77/63/60/793776360.db2.gz HXLXPUCNWVTCJG-OLZOCXBDSA-N 2 2 360.480 -1.865 20 0 FAADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC001220771981 793776867 /nfs/dbraw/zinc/77/68/67/793776867.db2.gz HFXBNEKLDVCZRH-QWHCGFSZSA-N 2 2 351.407 -1.040 20 0 FAADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC001220771982 793777131 /nfs/dbraw/zinc/77/71/31/793777131.db2.gz HFXBNEKLDVCZRH-STQMWFEESA-N 2 2 351.407 -1.040 20 0 FAADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220772392 793777371 /nfs/dbraw/zinc/77/73/71/793777371.db2.gz NJMFYKYMNKDNIX-KBPBESRZSA-N 3 2 352.439 -1.629 20 0 FAADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220772393 793777154 /nfs/dbraw/zinc/77/71/54/793777154.db2.gz NJMFYKYMNKDNIX-KGLIPLIRSA-N 3 2 352.439 -1.629 20 0 FAADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220772394 793777199 /nfs/dbraw/zinc/77/71/99/793777199.db2.gz NJMFYKYMNKDNIX-UONOGXRCSA-N 3 2 352.439 -1.629 20 0 FAADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220772395 793777337 /nfs/dbraw/zinc/77/73/37/793777337.db2.gz NJMFYKYMNKDNIX-ZIAGYGMSSA-N 3 2 352.439 -1.629 20 0 FAADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001220773058 793777261 /nfs/dbraw/zinc/77/72/61/793777261.db2.gz ZZKJFTJATUPQKL-LLVKDONJSA-N 2 2 361.424 -2.159 20 0 FAADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001220773059 793776841 /nfs/dbraw/zinc/77/68/41/793776841.db2.gz ZZKJFTJATUPQKL-NSHDSACASA-N 2 2 361.424 -2.159 20 0 FAADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220798796 793778663 /nfs/dbraw/zinc/77/86/63/793778663.db2.gz HFSVANJARNJRBW-UPJWGTAASA-N 2 2 357.455 -1.276 20 0 FAADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220798796 793778657 /nfs/dbraw/zinc/77/86/57/793778657.db2.gz HFSVANJARNJRBW-UPJWGTAASA-N 2 2 357.455 -1.276 20 0 FAADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220798797 793779164 /nfs/dbraw/zinc/77/91/64/793779164.db2.gz HFSVANJARNJRBW-XQQFMLRXSA-N 2 2 357.455 -1.276 20 0 FAADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220798797 793779157 /nfs/dbraw/zinc/77/91/57/793779157.db2.gz HFSVANJARNJRBW-XQQFMLRXSA-N 2 2 357.455 -1.276 20 0 FAADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001220798887 793778706 /nfs/dbraw/zinc/77/87/06/793778706.db2.gz KNGGBENDGMRYOF-OLZOCXBDSA-N 2 2 350.485 -1.571 20 0 FAADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001220798887 793778701 /nfs/dbraw/zinc/77/87/01/793778701.db2.gz KNGGBENDGMRYOF-OLZOCXBDSA-N 2 2 350.485 -1.571 20 0 FAADLP CCS(=O)(=O)NCC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220799284 793778761 /nfs/dbraw/zinc/77/87/61/793778761.db2.gz UTTXWOBASRFLSN-KGLIPLIRSA-N 2 2 364.512 -1.181 20 0 FAADLP CCS(=O)(=O)NCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220799284 793778759 /nfs/dbraw/zinc/77/87/59/793778759.db2.gz UTTXWOBASRFLSN-KGLIPLIRSA-N 2 2 364.512 -1.181 20 0 FAADLP CN(CC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1)S(C)(=O)=O ZINC001220806483 793779822 /nfs/dbraw/zinc/77/98/22/793779822.db2.gz DWOJGVLFRVAEQP-KGLIPLIRSA-N 2 2 364.512 -1.229 20 0 FAADLP CN(CC[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1)S(C)(=O)=O ZINC001220806483 793779815 /nfs/dbraw/zinc/77/98/15/793779815.db2.gz DWOJGVLFRVAEQP-KGLIPLIRSA-N 2 2 364.512 -1.229 20 0 FAADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001220806710 793780158 /nfs/dbraw/zinc/78/01/58/793780158.db2.gz KNXPMAGULZHUJM-CABCVRRESA-N 2 2 356.467 -1.262 20 0 FAADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001220806710 793780156 /nfs/dbraw/zinc/78/01/56/793780156.db2.gz KNXPMAGULZHUJM-CABCVRRESA-N 2 2 356.467 -1.262 20 0 FAADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NC)C[C@@H]1O ZINC001220817585 793781346 /nfs/dbraw/zinc/78/13/46/793781346.db2.gz YOHOVQBCKSGRII-UPJWGTAASA-N 2 2 357.455 -1.276 20 0 FAADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NC)C[C@@H]1O ZINC001220817585 793781340 /nfs/dbraw/zinc/78/13/40/793781340.db2.gz YOHOVQBCKSGRII-UPJWGTAASA-N 2 2 357.455 -1.276 20 0 FAADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(=O)NC)C[C@@H]1O ZINC001220817585 793781335 /nfs/dbraw/zinc/78/13/35/793781335.db2.gz YOHOVQBCKSGRII-UPJWGTAASA-N 2 2 357.455 -1.276 20 0 FAADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(=O)NC)C[C@@H]1O ZINC001220817585 793781329 /nfs/dbraw/zinc/78/13/29/793781329.db2.gz YOHOVQBCKSGRII-UPJWGTAASA-N 2 2 357.455 -1.276 20 0 FAADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(=O)NC)C[C@@H]1O ZINC001220817586 793780628 /nfs/dbraw/zinc/78/06/28/793780628.db2.gz YOHOVQBCKSGRII-XQQFMLRXSA-N 2 2 357.455 -1.276 20 0 FAADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(=O)NC)C[C@@H]1O ZINC001220817586 793780622 /nfs/dbraw/zinc/78/06/22/793780622.db2.gz YOHOVQBCKSGRII-XQQFMLRXSA-N 2 2 357.455 -1.276 20 0 FAADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(=O)NC)C[C@@H]1O ZINC001220817586 793780616 /nfs/dbraw/zinc/78/06/16/793780616.db2.gz YOHOVQBCKSGRII-XQQFMLRXSA-N 2 2 357.455 -1.276 20 0 FAADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(=O)NC)C[C@@H]1O ZINC001220817586 793780609 /nfs/dbraw/zinc/78/06/09/793780609.db2.gz YOHOVQBCKSGRII-XQQFMLRXSA-N 2 2 357.455 -1.276 20 0 FAADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCNS(=O)(=O)CC)C[C@@H]1O ZINC001220825684 793780701 /nfs/dbraw/zinc/78/07/01/793780701.db2.gz AUFALXFTRKGYDJ-KGLIPLIRSA-N 2 2 364.512 -1.181 20 0 FAADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCNS(=O)(=O)CC)C[C@@H]1O ZINC001220825684 793780694 /nfs/dbraw/zinc/78/06/94/793780694.db2.gz AUFALXFTRKGYDJ-KGLIPLIRSA-N 2 2 364.512 -1.181 20 0 FAADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCNS(=O)(=O)CC)C[C@@H]1O ZINC001220825684 793780686 /nfs/dbraw/zinc/78/06/86/793780686.db2.gz AUFALXFTRKGYDJ-KGLIPLIRSA-N 2 2 364.512 -1.181 20 0 FAADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCNS(=O)(=O)CC)C[C@@H]1O ZINC001220825684 793780678 /nfs/dbraw/zinc/78/06/78/793780678.db2.gz AUFALXFTRKGYDJ-KGLIPLIRSA-N 2 2 364.512 -1.181 20 0 FAADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001220825885 793781022 /nfs/dbraw/zinc/78/10/22/793781022.db2.gz HMGAIFSAKXPJNO-CABCVRRESA-N 2 2 356.467 -1.262 20 0 FAADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001220825885 793781019 /nfs/dbraw/zinc/78/10/19/793781019.db2.gz HMGAIFSAKXPJNO-CABCVRRESA-N 2 2 356.467 -1.262 20 0 FAADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001220825885 793781017 /nfs/dbraw/zinc/78/10/17/793781017.db2.gz HMGAIFSAKXPJNO-CABCVRRESA-N 2 2 356.467 -1.262 20 0 FAADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001220825885 793781013 /nfs/dbraw/zinc/78/10/13/793781013.db2.gz HMGAIFSAKXPJNO-CABCVRRESA-N 2 2 356.467 -1.262 20 0 FAADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001220826247 793782348 /nfs/dbraw/zinc/78/23/48/793782348.db2.gz UKUXMKGRCPZJNE-OLZOCXBDSA-N 2 2 350.485 -1.571 20 0 FAADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001220826247 793782341 /nfs/dbraw/zinc/78/23/41/793782341.db2.gz UKUXMKGRCPZJNE-OLZOCXBDSA-N 2 2 350.485 -1.571 20 0 FAADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001220826247 793782338 /nfs/dbraw/zinc/78/23/38/793782338.db2.gz UKUXMKGRCPZJNE-OLZOCXBDSA-N 2 2 350.485 -1.571 20 0 FAADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001220826247 793782332 /nfs/dbraw/zinc/78/23/32/793782332.db2.gz UKUXMKGRCPZJNE-OLZOCXBDSA-N 2 2 350.485 -1.571 20 0 FAADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O ZINC001220826301 793782087 /nfs/dbraw/zinc/78/20/87/793782087.db2.gz WWNCSGHZVYNVJF-KGLIPLIRSA-N 2 2 364.512 -1.229 20 0 FAADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O ZINC001220826301 793782084 /nfs/dbraw/zinc/78/20/84/793782084.db2.gz WWNCSGHZVYNVJF-KGLIPLIRSA-N 2 2 364.512 -1.229 20 0 FAADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCN(C)S(C)(=O)=O)C[C@@H]1O ZINC001220826301 793782077 /nfs/dbraw/zinc/78/20/77/793782077.db2.gz WWNCSGHZVYNVJF-KGLIPLIRSA-N 2 2 364.512 -1.229 20 0 FAADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCN(C)S(C)(=O)=O)C[C@@H]1O ZINC001220826301 793782070 /nfs/dbraw/zinc/78/20/70/793782070.db2.gz WWNCSGHZVYNVJF-KGLIPLIRSA-N 2 2 364.512 -1.229 20 0 FAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCCNS(=O)(=O)CC)C[C@@H]1O ZINC001220828567 793781940 /nfs/dbraw/zinc/78/19/40/793781940.db2.gz AHHCXYAOGCOCHI-KGLIPLIRSA-N 2 2 364.512 -1.181 20 0 FAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCCNS(=O)(=O)CC)C[C@@H]1O ZINC001220828567 793781939 /nfs/dbraw/zinc/78/19/39/793781939.db2.gz AHHCXYAOGCOCHI-KGLIPLIRSA-N 2 2 364.512 -1.181 20 0 FAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCCNS(=O)(=O)CC)C[C@@H]1O ZINC001220828567 793781935 /nfs/dbraw/zinc/78/19/35/793781935.db2.gz AHHCXYAOGCOCHI-KGLIPLIRSA-N 2 2 364.512 -1.181 20 0 FAADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCCNS(=O)(=O)CC)C[C@@H]1O ZINC001220828567 793781933 /nfs/dbraw/zinc/78/19/33/793781933.db2.gz AHHCXYAOGCOCHI-KGLIPLIRSA-N 2 2 364.512 -1.181 20 0 FAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001220829402 793781892 /nfs/dbraw/zinc/78/18/92/793781892.db2.gz QOBUYSVYWXRBGI-KGLIPLIRSA-N 2 2 362.496 -1.475 20 0 FAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001220829402 793781887 /nfs/dbraw/zinc/78/18/87/793781887.db2.gz QOBUYSVYWXRBGI-KGLIPLIRSA-N 2 2 362.496 -1.475 20 0 FAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001220829402 793781882 /nfs/dbraw/zinc/78/18/82/793781882.db2.gz QOBUYSVYWXRBGI-KGLIPLIRSA-N 2 2 362.496 -1.475 20 0 FAADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001220829402 793781877 /nfs/dbraw/zinc/78/18/77/793781877.db2.gz QOBUYSVYWXRBGI-KGLIPLIRSA-N 2 2 362.496 -1.475 20 0 FAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCCS(=O)(=O)N(C)C)C[C@@H]1O ZINC001220831051 793782759 /nfs/dbraw/zinc/78/27/59/793782759.db2.gz OHPIPFRNBIHXCY-KGLIPLIRSA-N 2 2 364.512 -1.229 20 0 FAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCCS(=O)(=O)N(C)C)C[C@@H]1O ZINC001220831051 793782748 /nfs/dbraw/zinc/78/27/48/793782748.db2.gz OHPIPFRNBIHXCY-KGLIPLIRSA-N 2 2 364.512 -1.229 20 0 FAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCCS(=O)(=O)N(C)C)C[C@@H]1O ZINC001220831051 793782743 /nfs/dbraw/zinc/78/27/43/793782743.db2.gz OHPIPFRNBIHXCY-KGLIPLIRSA-N 2 2 364.512 -1.229 20 0 FAADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCCS(=O)(=O)N(C)C)C[C@@H]1O ZINC001220831051 793782737 /nfs/dbraw/zinc/78/27/37/793782737.db2.gz OHPIPFRNBIHXCY-KGLIPLIRSA-N 2 2 364.512 -1.229 20 0 FAADLP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001220852426 793783548 /nfs/dbraw/zinc/78/35/48/793783548.db2.gz JHUWHROGPWRJII-CFVMTHIKSA-N 2 2 356.423 -1.554 20 0 FAADLP COCCOC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001220852426 793783542 /nfs/dbraw/zinc/78/35/42/793783542.db2.gz JHUWHROGPWRJII-CFVMTHIKSA-N 2 2 356.423 -1.554 20 0 FAADLP COCCOC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001220852427 793783616 /nfs/dbraw/zinc/78/36/16/793783616.db2.gz JHUWHROGPWRJII-YUELXQCFSA-N 2 2 356.423 -1.554 20 0 FAADLP COCCOC[C@H](O)C[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001220852427 793783611 /nfs/dbraw/zinc/78/36/11/793783611.db2.gz JHUWHROGPWRJII-YUELXQCFSA-N 2 2 356.423 -1.554 20 0 FAADLP [NH3+]CCN=c1ccc(Br)cn1C(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001220871138 793787767 /nfs/dbraw/zinc/78/77/67/793787767.db2.gz USKHTCZKFRCZPR-QMMMGPOBSA-N 2 2 355.200 -1.167 20 0 FAADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCCOCCN1C(=O)C=CC1=O ZINC001220878720 793788100 /nfs/dbraw/zinc/78/81/00/793788100.db2.gz NYBPAHYLFGDPJP-CYBMUJFWSA-N 2 2 353.423 -2.205 20 0 FAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCCOCCN1C(=O)C=CC1=O ZINC001220878721 793788882 /nfs/dbraw/zinc/78/88/82/793788882.db2.gz NYBPAHYLFGDPJP-ZDUSSCGKSA-N 2 2 353.423 -2.205 20 0 FAADLP CS(=O)(=O)N1CCC(CNC(=O)[C@@H](N)C[NH+]2CCC([NH3+])CC2)CC1 ZINC001220926309 793796421 /nfs/dbraw/zinc/79/64/21/793796421.db2.gz GPBLBIAYYQEKAA-AWEZNQCLSA-N 2 2 361.512 -1.475 20 0 FAADLP CS(=O)(=O)N1CCC(CNC(=O)[C@H](N)C[NH+]2CCC([NH3+])CC2)CC1 ZINC001220926310 793796615 /nfs/dbraw/zinc/79/66/15/793796615.db2.gz GPBLBIAYYQEKAA-CQSZACIVSA-N 2 2 361.512 -1.475 20 0 FAADLP Cc1cn([C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]([NH3+])C[NH2+]3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220967083 793806495 /nfs/dbraw/zinc/80/64/95/793806495.db2.gz RDWOJUYVBDGRMZ-KKJSVHSVSA-N 2 2 353.379 -2.289 20 0 FAADLP Cc1cn([C@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220967084 793805888 /nfs/dbraw/zinc/80/58/88/793805888.db2.gz RDWOJUYVBDGRMZ-YBXAARCKSA-N 2 2 353.379 -2.289 20 0 FAADLP Cc1cn([C@H]2C[C@H](NC(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220967237 793807063 /nfs/dbraw/zinc/80/70/63/793807063.db2.gz WYPXIVIQFSASJN-KKJSVHSVSA-N 2 2 353.379 -2.431 20 0 FAADLP CCS(=O)(=O)NCCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220977867 793809981 /nfs/dbraw/zinc/80/99/81/793809981.db2.gz FCYSJLAFFCEGBF-KGLIPLIRSA-N 2 2 362.496 -1.427 20 0 FAADLP CCS(=O)(=O)NCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220977867 793809972 /nfs/dbraw/zinc/80/99/72/793809972.db2.gz FCYSJLAFFCEGBF-KGLIPLIRSA-N 2 2 362.496 -1.427 20 0 FAADLP CN(C)S(=O)(=O)CCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220978354 793809164 /nfs/dbraw/zinc/80/91/64/793809164.db2.gz ZDTNOMSPINSCIG-KGLIPLIRSA-N 2 2 362.496 -1.475 20 0 FAADLP CN(C)S(=O)(=O)CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220978354 793809156 /nfs/dbraw/zinc/80/91/56/793809156.db2.gz ZDTNOMSPINSCIG-KGLIPLIRSA-N 2 2 362.496 -1.475 20 0 FAADLP CC(=O)NCCOCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220979039 793809026 /nfs/dbraw/zinc/80/90/26/793809026.db2.gz BOKTWWGWYZKRHE-CABCVRRESA-N 2 2 353.423 -1.494 20 0 FAADLP CC(=O)NCCOCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220979039 793809020 /nfs/dbraw/zinc/80/90/20/793809020.db2.gz BOKTWWGWYZKRHE-CABCVRRESA-N 2 2 353.423 -1.494 20 0 FAADLP COCCOC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220979067 793809765 /nfs/dbraw/zinc/80/97/65/793809765.db2.gz CUTCPQHTTKARMM-KFWWJZLASA-N 2 2 356.423 -1.623 20 0 FAADLP COCCOC[C@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220979067 793809756 /nfs/dbraw/zinc/80/97/56/793809756.db2.gz CUTCPQHTTKARMM-KFWWJZLASA-N 2 2 356.423 -1.623 20 0 FAADLP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220979068 793809523 /nfs/dbraw/zinc/80/95/23/793809523.db2.gz CUTCPQHTTKARMM-ZNMIVQPWSA-N 2 2 356.423 -1.623 20 0 FAADLP COCCOC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220979068 793809511 /nfs/dbraw/zinc/80/95/11/793809511.db2.gz CUTCPQHTTKARMM-ZNMIVQPWSA-N 2 2 356.423 -1.623 20 0 FAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O ZINC001220979269 793809214 /nfs/dbraw/zinc/80/92/14/793809214.db2.gz IOJKKFHRXSANML-OLZOCXBDSA-N 2 2 359.452 -1.756 20 0 FAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O ZINC001220979269 793809201 /nfs/dbraw/zinc/80/92/01/793809201.db2.gz IOJKKFHRXSANML-OLZOCXBDSA-N 2 2 359.452 -1.756 20 0 FAADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001220985770 793810888 /nfs/dbraw/zinc/81/08/88/793810888.db2.gz FKKMROSUIWCCEI-KFWWJZLASA-N 2 2 352.439 -1.592 20 0 FAADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001220985770 793810879 /nfs/dbraw/zinc/81/08/79/793810879.db2.gz FKKMROSUIWCCEI-KFWWJZLASA-N 2 2 352.439 -1.592 20 0 FAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001220985771 793810853 /nfs/dbraw/zinc/81/08/53/793810853.db2.gz FKKMROSUIWCCEI-ZNMIVQPWSA-N 2 2 352.439 -1.592 20 0 FAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001220985771 793810846 /nfs/dbraw/zinc/81/08/46/793810846.db2.gz FKKMROSUIWCCEI-ZNMIVQPWSA-N 2 2 352.439 -1.592 20 0 FAADLP COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220986044 793810267 /nfs/dbraw/zinc/81/02/67/793810267.db2.gz PWTKHRAFEDOEGP-OAGGEKHMSA-N 2 2 359.467 -1.221 20 0 FAADLP COCCOCC[N@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220986044 793810265 /nfs/dbraw/zinc/81/02/65/793810265.db2.gz PWTKHRAFEDOEGP-OAGGEKHMSA-N 2 2 359.467 -1.221 20 0 FAADLP COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220986045 793811052 /nfs/dbraw/zinc/81/10/52/793811052.db2.gz PWTKHRAFEDOEGP-XHSDSOJGSA-N 2 2 359.467 -1.221 20 0 FAADLP COCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220986045 793811041 /nfs/dbraw/zinc/81/10/41/793811041.db2.gz PWTKHRAFEDOEGP-XHSDSOJGSA-N 2 2 359.467 -1.221 20 0 FAADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220986170 793811158 /nfs/dbraw/zinc/81/11/58/793811158.db2.gz VGVZONIBGOCHQQ-KFWWJZLASA-N 2 2 356.467 -1.406 20 0 FAADLP CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220986170 793811148 /nfs/dbraw/zinc/81/11/48/793811148.db2.gz VGVZONIBGOCHQQ-KFWWJZLASA-N 2 2 356.467 -1.406 20 0 FAADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220986171 793810990 /nfs/dbraw/zinc/81/09/90/793810990.db2.gz VGVZONIBGOCHQQ-ZNMIVQPWSA-N 2 2 356.467 -1.406 20 0 FAADLP CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220986171 793810982 /nfs/dbraw/zinc/81/09/82/793810982.db2.gz VGVZONIBGOCHQQ-ZNMIVQPWSA-N 2 2 356.467 -1.406 20 0 FAADLP CS(=O)(=O)NCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221073108 793830309 /nfs/dbraw/zinc/83/03/09/793830309.db2.gz GMYYAAOPHVPKHZ-KGLIPLIRSA-N 2 2 362.496 -1.427 20 0 FAADLP CS(=O)(=O)NCC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221073108 793830301 /nfs/dbraw/zinc/83/03/01/793830301.db2.gz GMYYAAOPHVPKHZ-KGLIPLIRSA-N 2 2 362.496 -1.427 20 0 FAADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221073395 793829954 /nfs/dbraw/zinc/82/99/54/793829954.db2.gz UQVDUJNLLLKCTE-UPJWGTAASA-N 2 2 355.439 -1.393 20 0 FAADLP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221073395 793829951 /nfs/dbraw/zinc/82/99/51/793829951.db2.gz UQVDUJNLLLKCTE-UPJWGTAASA-N 2 2 355.439 -1.393 20 0 FAADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221073396 793830055 /nfs/dbraw/zinc/83/00/55/793830055.db2.gz UQVDUJNLLLKCTE-XQQFMLRXSA-N 2 2 355.439 -1.393 20 0 FAADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221073396 793830048 /nfs/dbraw/zinc/83/00/48/793830048.db2.gz UQVDUJNLLLKCTE-XQQFMLRXSA-N 2 2 355.439 -1.393 20 0 FAADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221073408 793829893 /nfs/dbraw/zinc/82/98/93/793829893.db2.gz UYZVYXLFOMNDDC-UPJWGTAASA-N 2 2 355.439 -1.393 20 0 FAADLP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221073408 793829886 /nfs/dbraw/zinc/82/98/86/793829886.db2.gz UYZVYXLFOMNDDC-UPJWGTAASA-N 2 2 355.439 -1.393 20 0 FAADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221073409 793829982 /nfs/dbraw/zinc/82/99/82/793829982.db2.gz UYZVYXLFOMNDDC-XQQFMLRXSA-N 2 2 355.439 -1.393 20 0 FAADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221073409 793829974 /nfs/dbraw/zinc/82/99/74/793829974.db2.gz UYZVYXLFOMNDDC-XQQFMLRXSA-N 2 2 355.439 -1.393 20 0 FAADLP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001221073441 793830017 /nfs/dbraw/zinc/83/00/17/793830017.db2.gz XDMVGLMPSUKFET-MCIONIFRSA-N 2 2 352.435 -1.171 20 0 FAADLP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001221073441 793830005 /nfs/dbraw/zinc/83/00/05/793830005.db2.gz XDMVGLMPSUKFET-MCIONIFRSA-N 2 2 352.435 -1.171 20 0 FAADLP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001221073442 793829430 /nfs/dbraw/zinc/82/94/30/793829430.db2.gz XDMVGLMPSUKFET-RDBSUJKOSA-N 2 2 352.435 -1.171 20 0 FAADLP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001221073442 793829428 /nfs/dbraw/zinc/82/94/28/793829428.db2.gz XDMVGLMPSUKFET-RDBSUJKOSA-N 2 2 352.435 -1.171 20 0 FAADLP CS(=O)(=O)NCC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221081414 793831699 /nfs/dbraw/zinc/83/16/99/793831699.db2.gz KCGUXBUHFSWGJA-KGLIPLIRSA-N 2 2 362.496 -1.427 20 0 FAADLP CS(=O)(=O)NCC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221081414 793831694 /nfs/dbraw/zinc/83/16/94/793831694.db2.gz KCGUXBUHFSWGJA-KGLIPLIRSA-N 2 2 362.496 -1.427 20 0 FAADLP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001221081484 793832851 /nfs/dbraw/zinc/83/28/51/793832851.db2.gz NYNQZOAFLDMJGQ-MCIONIFRSA-N 2 2 352.435 -1.171 20 0 FAADLP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001221081484 793832844 /nfs/dbraw/zinc/83/28/44/793832844.db2.gz NYNQZOAFLDMJGQ-MCIONIFRSA-N 2 2 352.435 -1.171 20 0 FAADLP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001221081485 793833187 /nfs/dbraw/zinc/83/31/87/793833187.db2.gz NYNQZOAFLDMJGQ-RDBSUJKOSA-N 2 2 352.435 -1.171 20 0 FAADLP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001221081485 793833175 /nfs/dbraw/zinc/83/31/75/793833175.db2.gz NYNQZOAFLDMJGQ-RDBSUJKOSA-N 2 2 352.435 -1.171 20 0 FAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCCS(=O)(=O)N(C)C)C[C@@H]1O ZINC001221091111 793834167 /nfs/dbraw/zinc/83/41/67/793834167.db2.gz BXMJGEKGGNRIIY-KGLIPLIRSA-N 2 2 364.512 -1.231 20 0 FAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCCS(=O)(=O)N(C)C)C[C@@H]1O ZINC001221091111 793834158 /nfs/dbraw/zinc/83/41/58/793834158.db2.gz BXMJGEKGGNRIIY-KGLIPLIRSA-N 2 2 364.512 -1.231 20 0 FAADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCCS(=O)(=O)N(C)C)C[C@@H]1O ZINC001221091111 793834152 /nfs/dbraw/zinc/83/41/52/793834152.db2.gz BXMJGEKGGNRIIY-KGLIPLIRSA-N 2 2 364.512 -1.231 20 0 FAADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCCS(=O)(=O)N(C)C)C[C@@H]1O ZINC001221091111 793834142 /nfs/dbraw/zinc/83/41/42/793834142.db2.gz BXMJGEKGGNRIIY-KGLIPLIRSA-N 2 2 364.512 -1.231 20 0 FAADLP CCS(=O)(=O)NCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001221093187 793835707 /nfs/dbraw/zinc/83/57/07/793835707.db2.gz FYRZVLCYMORQOY-KGLIPLIRSA-N 2 2 364.512 -1.183 20 0 FAADLP CCS(=O)(=O)NCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001221093187 793835696 /nfs/dbraw/zinc/83/56/96/793835696.db2.gz FYRZVLCYMORQOY-KGLIPLIRSA-N 2 2 364.512 -1.183 20 0 FAADLP CCS(=O)(=O)NCCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221093187 793835683 /nfs/dbraw/zinc/83/56/83/793835683.db2.gz FYRZVLCYMORQOY-KGLIPLIRSA-N 2 2 364.512 -1.183 20 0 FAADLP CCS(=O)(=O)NCCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221093187 793835677 /nfs/dbraw/zinc/83/56/77/793835677.db2.gz FYRZVLCYMORQOY-KGLIPLIRSA-N 2 2 364.512 -1.183 20 0 FAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O ZINC001221093224 793835295 /nfs/dbraw/zinc/83/52/95/793835295.db2.gz GFMVEDBLXYVYLB-OLZOCXBDSA-N 2 2 350.485 -1.621 20 0 FAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O ZINC001221093224 793835285 /nfs/dbraw/zinc/83/52/85/793835285.db2.gz GFMVEDBLXYVYLB-OLZOCXBDSA-N 2 2 350.485 -1.621 20 0 FAADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCN(C)S(C)(=O)=O)C[C@@H]1O ZINC001221093224 793835275 /nfs/dbraw/zinc/83/52/75/793835275.db2.gz GFMVEDBLXYVYLB-OLZOCXBDSA-N 2 2 350.485 -1.621 20 0 FAADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCN(C)S(C)(=O)=O)C[C@@H]1O ZINC001221093224 793835267 /nfs/dbraw/zinc/83/52/67/793835267.db2.gz GFMVEDBLXYVYLB-OLZOCXBDSA-N 2 2 350.485 -1.621 20 0 FAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001221093371 793834785 /nfs/dbraw/zinc/83/47/85/793834785.db2.gz KAHFICZVWYEEER-KGLIPLIRSA-N 2 2 362.496 -1.477 20 0 FAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001221093371 793834776 /nfs/dbraw/zinc/83/47/76/793834776.db2.gz KAHFICZVWYEEER-KGLIPLIRSA-N 2 2 362.496 -1.477 20 0 FAADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001221093371 793834766 /nfs/dbraw/zinc/83/47/66/793834766.db2.gz KAHFICZVWYEEER-KGLIPLIRSA-N 2 2 362.496 -1.477 20 0 FAADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001221093371 793834755 /nfs/dbraw/zinc/83/47/55/793834755.db2.gz KAHFICZVWYEEER-KGLIPLIRSA-N 2 2 362.496 -1.477 20 0 FAADLP [NH3+][C@@H]1CN[C@H](C(=O)NCc2cc(N3CCS(=O)(=O)CC3)cc[nH+]2)C1 ZINC001221149256 793841584 /nfs/dbraw/zinc/84/15/84/793841584.db2.gz ZVOTWZWELZYGDP-FZMZJTMJSA-N 2 2 353.448 -1.378 20 0 FAADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)NCc2cc(N3CCS(=O)(=O)CC3)cc[nH+]2)C1 ZINC001221149256 793841567 /nfs/dbraw/zinc/84/15/67/793841567.db2.gz ZVOTWZWELZYGDP-FZMZJTMJSA-N 3 2 353.448 -1.378 20 0 FAADLP [NH3+][C@H]1CN[C@H](C(=O)NCc2cc(N3CCS(=O)(=O)CC3)cc[nH+]2)C1 ZINC001221149259 793841850 /nfs/dbraw/zinc/84/18/50/793841850.db2.gz ZVOTWZWELZYGDP-RISCZKNCSA-N 2 2 353.448 -1.378 20 0 FAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCc2cc(N3CCS(=O)(=O)CC3)cc[nH+]2)C1 ZINC001221149259 793841837 /nfs/dbraw/zinc/84/18/37/793841837.db2.gz ZVOTWZWELZYGDP-RISCZKNCSA-N 3 2 353.448 -1.378 20 0 FAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](C[C@H](O)COCC(F)(F)F)C[C@@H]1O ZINC001221164527 793844673 /nfs/dbraw/zinc/84/46/73/793844673.db2.gz KJPVNJOWJUGCKD-TUAOUCFPSA-N 2 2 366.340 -1.016 20 0 FAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](C[C@H](O)COCC(F)(F)F)C[C@@H]1O ZINC001221164527 793844666 /nfs/dbraw/zinc/84/46/66/793844666.db2.gz KJPVNJOWJUGCKD-TUAOUCFPSA-N 2 2 366.340 -1.016 20 0 FAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](C[C@@H](O)COCC(F)(F)F)C[C@@H]1O ZINC001221164528 793843919 /nfs/dbraw/zinc/84/39/19/793843919.db2.gz KJPVNJOWJUGCKD-UTUOFQBUSA-N 2 2 366.340 -1.016 20 0 FAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](C[C@@H](O)COCC(F)(F)F)C[C@@H]1O ZINC001221164528 793843909 /nfs/dbraw/zinc/84/39/09/793843909.db2.gz KJPVNJOWJUGCKD-UTUOFQBUSA-N 2 2 366.340 -1.016 20 0 FAADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001221257023 793854665 /nfs/dbraw/zinc/85/46/65/793854665.db2.gz VIKPCTUPGZCMLX-STQMWFEESA-N 2 2 351.407 -1.040 20 0 FAADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO ZINC001221257163 793855587 /nfs/dbraw/zinc/85/55/87/793855587.db2.gz ZXPGMMFDXQYOLV-DLOVCJGASA-N 2 2 355.395 -2.165 20 0 FAADLP COc1ccc(CSC[C@H]([NH3+])C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)cc1 ZINC001221266161 793855965 /nfs/dbraw/zinc/85/59/65/793855965.db2.gz SXTKONMPLTUTNU-AJNGGQMLSA-N 2 2 366.491 -1.225 20 0 FAADLP COc1ccc(CSC[C@H]([NH3+])C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)cc1 ZINC001221266163 793855802 /nfs/dbraw/zinc/85/58/02/793855802.db2.gz SXTKONMPLTUTNU-LJISPDSOSA-N 2 2 366.491 -1.225 20 0 FAADLP COc1ccc(CSC[C@H]([NH3+])C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)cc1 ZINC001221266164 793856137 /nfs/dbraw/zinc/85/61/37/793856137.db2.gz SXTKONMPLTUTNU-XGUBFFRZSA-N 2 2 366.491 -1.225 20 0 FAADLP COc1ccc(CSC[C@H]([NH3+])C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)cc1 ZINC001221266166 793855150 /nfs/dbraw/zinc/85/51/50/793855150.db2.gz SXTKONMPLTUTNU-ZQDZILKHSA-N 2 2 366.491 -1.225 20 0 FAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C[C@H](O)C[NH3+] ZINC001221348839 793856802 /nfs/dbraw/zinc/85/68/02/793856802.db2.gz ODQQKXGWTXRTDW-SRVKXCTJSA-N 2 2 352.395 -2.377 20 0 FAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C[C@H](O)C[NH3+] ZINC001221348839 793856794 /nfs/dbraw/zinc/85/67/94/793856794.db2.gz ODQQKXGWTXRTDW-SRVKXCTJSA-N 2 2 352.395 -2.377 20 0 FAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C[C@@H](O)C[NH3+] ZINC001221348840 793857426 /nfs/dbraw/zinc/85/74/26/793857426.db2.gz ODQQKXGWTXRTDW-WOPDTQHZSA-N 2 2 352.395 -2.377 20 0 FAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C[C@@H](O)C[NH3+] ZINC001221348840 793857415 /nfs/dbraw/zinc/85/74/15/793857415.db2.gz ODQQKXGWTXRTDW-WOPDTQHZSA-N 2 2 352.395 -2.377 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[N@@H+](CCNS(C)(=O)=O)C[C@H]32)O1 ZINC001221640742 793871451 /nfs/dbraw/zinc/87/14/51/793871451.db2.gz YIFMHLNYJPBPCI-KBUPBQIOSA-N 2 2 374.507 -1.213 20 0 FAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[N@H+](CCNS(C)(=O)=O)C[C@H]32)O1 ZINC001221640742 793871448 /nfs/dbraw/zinc/87/14/48/793871448.db2.gz YIFMHLNYJPBPCI-KBUPBQIOSA-N 2 2 374.507 -1.213 20 0 FAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CC[NH+](CCNS(C)(=O)=O)C[C@H]32)O1 ZINC001221640742 793871441 /nfs/dbraw/zinc/87/14/41/793871441.db2.gz YIFMHLNYJPBPCI-KBUPBQIOSA-N 2 2 374.507 -1.213 20 0 FAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CC[NH+](CCNS(C)(=O)=O)C[C@H]32)O1 ZINC001221640742 793871435 /nfs/dbraw/zinc/87/14/35/793871435.db2.gz YIFMHLNYJPBPCI-KBUPBQIOSA-N 2 2 374.507 -1.213 20 0 FAADLP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC001221789352 793879723 /nfs/dbraw/zinc/87/97/23/793879723.db2.gz RFALIMOMDOJGNZ-ZIAGYGMSSA-N 2 2 351.451 -1.571 20 0 FAADLP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC001221789352 793879715 /nfs/dbraw/zinc/87/97/15/793879715.db2.gz RFALIMOMDOJGNZ-ZIAGYGMSSA-N 2 2 351.451 -1.571 20 0 FAADLP CNC(=O)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221947154 793886939 /nfs/dbraw/zinc/88/69/39/793886939.db2.gz VESDYWMCBBHBRM-CHWSQXEVSA-N 2 2 355.439 -1.447 20 0 FAADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221947154 793886933 /nfs/dbraw/zinc/88/69/33/793886933.db2.gz VESDYWMCBBHBRM-CHWSQXEVSA-N 2 2 355.439 -1.447 20 0 FAADLP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001221950366 793886915 /nfs/dbraw/zinc/88/69/15/793886915.db2.gz DXQXRVOZCAEILT-ZIAGYGMSSA-N 2 2 362.496 -1.354 20 0 FAADLP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001221950366 793886905 /nfs/dbraw/zinc/88/69/05/793886905.db2.gz DXQXRVOZCAEILT-ZIAGYGMSSA-N 2 2 362.496 -1.354 20 0 FAADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950584 793886212 /nfs/dbraw/zinc/88/62/12/793886212.db2.gz ORSFPGTXXHEWCB-JHJVBQTASA-N 2 2 355.439 -1.319 20 0 FAADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950584 793886207 /nfs/dbraw/zinc/88/62/07/793886207.db2.gz ORSFPGTXXHEWCB-JHJVBQTASA-N 2 2 355.439 -1.319 20 0 FAADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950585 793886667 /nfs/dbraw/zinc/88/66/67/793886667.db2.gz ORSFPGTXXHEWCB-YNEHKIRRSA-N 2 2 355.439 -1.319 20 0 FAADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950585 793886663 /nfs/dbraw/zinc/88/66/63/793886663.db2.gz ORSFPGTXXHEWCB-YNEHKIRRSA-N 2 2 355.439 -1.319 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)NC(N)=O)[C@H]3C2)C1 ZINC001222488816 793895231 /nfs/dbraw/zinc/89/52/31/793895231.db2.gz DWPJXOTXIVAVEC-AGIUHOORSA-N 2 2 353.423 -1.565 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3CC[N@H+](CC(=O)NC(N)=O)[C@H]3C2)C1 ZINC001222488816 793895217 /nfs/dbraw/zinc/89/52/17/793895217.db2.gz DWPJXOTXIVAVEC-AGIUHOORSA-N 2 2 353.423 -1.565 20 0 FAADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)NC(N)=O)[C@H]3C2)C1 ZINC001222488816 793895206 /nfs/dbraw/zinc/89/52/06/793895206.db2.gz DWPJXOTXIVAVEC-AGIUHOORSA-N 2 2 353.423 -1.565 20 0 FAADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)NC(N)=O)[C@H]3C2)C1 ZINC001222488816 793895199 /nfs/dbraw/zinc/89/51/99/793895199.db2.gz DWPJXOTXIVAVEC-AGIUHOORSA-N 2 2 353.423 -1.565 20 0 FAADLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)NC(N)=O)[C@H]3C2)C1 ZINC001222488819 793894806 /nfs/dbraw/zinc/89/48/06/793894806.db2.gz DWPJXOTXIVAVEC-FRRDWIJNSA-N 2 2 353.423 -1.565 20 0 FAADLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@H+](CC(=O)NC(N)=O)[C@H]3C2)C1 ZINC001222488819 793894798 /nfs/dbraw/zinc/89/47/98/793894798.db2.gz DWPJXOTXIVAVEC-FRRDWIJNSA-N 2 2 353.423 -1.565 20 0 FAADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)NC(N)=O)[C@H]3C2)C1 ZINC001222488819 793894792 /nfs/dbraw/zinc/89/47/92/793894792.db2.gz DWPJXOTXIVAVEC-FRRDWIJNSA-N 2 2 353.423 -1.565 20 0 FAADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)NC(N)=O)[C@H]3C2)C1 ZINC001222488819 793894785 /nfs/dbraw/zinc/89/47/85/793894785.db2.gz DWPJXOTXIVAVEC-FRRDWIJNSA-N 2 2 353.423 -1.565 20 0 FAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC[NH+](CC(=O)NC(N)=O)CC2)O1 ZINC001223570377 793901347 /nfs/dbraw/zinc/90/13/47/793901347.db2.gz NCEYTVCRSCSZAL-DGCLKSJQSA-N 2 2 355.439 -1.271 20 0 FAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC[NH+](CC(=O)NC(N)=O)CC2)O1 ZINC001223570377 793901330 /nfs/dbraw/zinc/90/13/30/793901330.db2.gz NCEYTVCRSCSZAL-DGCLKSJQSA-N 2 2 355.439 -1.271 20 0 FAADLP C[C@H](C(=O)NC(N)=O)[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001227953034 793920289 /nfs/dbraw/zinc/92/02/89/793920289.db2.gz AARUTCFIAMQUQN-NQBHXWOUSA-N 2 2 355.439 -1.131 20 0 FAADLP C[C@H](C(=O)NC(N)=O)[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001227953034 793920288 /nfs/dbraw/zinc/92/02/88/793920288.db2.gz AARUTCFIAMQUQN-NQBHXWOUSA-N 2 2 355.439 -1.131 20 0 FAADLP C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001227953041 793920343 /nfs/dbraw/zinc/92/03/43/793920343.db2.gz AARUTCFIAMQUQN-NTZNESFSSA-N 2 2 355.439 -1.131 20 0 FAADLP C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001227953041 793920339 /nfs/dbraw/zinc/92/03/39/793920339.db2.gz AARUTCFIAMQUQN-NTZNESFSSA-N 2 2 355.439 -1.131 20 0 FAADLP CNC(=O)NC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001227953779 793920154 /nfs/dbraw/zinc/92/01/54/793920154.db2.gz KJOMWQBYKBASQY-DGCLKSJQSA-N 2 2 355.439 -1.258 20 0 FAADLP CNC(=O)NC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001227953779 793920149 /nfs/dbraw/zinc/92/01/49/793920149.db2.gz KJOMWQBYKBASQY-DGCLKSJQSA-N 2 2 355.439 -1.258 20 0 FAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC[NH+](CCNS(C)(=O)=O)CC2)O1 ZINC001227954853 793919994 /nfs/dbraw/zinc/91/99/94/793919994.db2.gz ZEQIGYCDCGEKEE-TZMCWYRMSA-N 2 2 362.496 -1.165 20 0 FAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC[NH+](CCNS(C)(=O)=O)CC2)O1 ZINC001227954853 793919990 /nfs/dbraw/zinc/91/99/90/793919990.db2.gz ZEQIGYCDCGEKEE-TZMCWYRMSA-N 2 2 362.496 -1.165 20 0 FAADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O ZINC001228342179 793921312 /nfs/dbraw/zinc/92/13/12/793921312.db2.gz UYTIZPQSDQOVFX-MCIONIFRSA-N 2 2 350.423 -1.041 20 0 FAADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O ZINC001228342179 793921306 /nfs/dbraw/zinc/92/13/06/793921306.db2.gz UYTIZPQSDQOVFX-MCIONIFRSA-N 2 2 350.423 -1.041 20 0 FAADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(S(=O)(=O)CC[NH3+])CC2 ZINC001239074379 793961047 /nfs/dbraw/zinc/96/10/47/793961047.db2.gz DPFIIGPBGSIXSU-UHFFFAOYSA-N 2 2 370.479 -1.546 20 0 FAADLP [NH3+]CCS(=O)(=O)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001239080565 793960586 /nfs/dbraw/zinc/96/05/86/793960586.db2.gz CPZHYZJZTRJPGT-UHFFFAOYSA-N 2 2 352.420 -1.018 20 0 FAADLP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(S(=O)(=O)CC[NH3+])CC2)C1 ZINC001239081020 793960798 /nfs/dbraw/zinc/96/07/98/793960798.db2.gz MEWNDVSMUOYYBW-UHFFFAOYSA-N 2 2 362.496 -1.223 20 0 FAADLP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(S(=O)(=O)CC[NH3+])CC2)C1 ZINC001239081020 793960795 /nfs/dbraw/zinc/96/07/95/793960795.db2.gz MEWNDVSMUOYYBW-UHFFFAOYSA-N 2 2 362.496 -1.223 20 0 FAADLP [NH3+][C@@H](Cc1ccccc1)[C@H](O)C[NH2+]CCS(=O)(=O)N1CC[NH2+]CC1 ZINC001245993779 793965160 /nfs/dbraw/zinc/96/51/60/793965160.db2.gz PHWKMCCFFPRKQW-JKSUJKDBSA-N 3 2 356.492 -1.258 20 0 FAADLP COC(=O)C1C[C@@H]2CC([NH2+]CCS(=O)(=O)N3CC[NH2+]CC3)C[C@H](C1)[NH2+]2 ZINC001246098818 793966930 /nfs/dbraw/zinc/96/69/30/793966930.db2.gz FGHBUZHTQUYYAP-ZMYVRHLSSA-N 3 2 374.507 -1.117 20 0 FAADLP CC(C)(C)OC(=O)[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)N2CC[NH2+]CC2)CN1 ZINC001246102239 793967050 /nfs/dbraw/zinc/96/70/50/793967050.db2.gz SKCSGOWVOIOSLD-OLZOCXBDSA-N 2 2 362.496 -1.117 20 0 FAADLP CC(C)(C)OC(=O)[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)N2CC[NH2+]CC2)CN1 ZINC001246102240 793967166 /nfs/dbraw/zinc/96/71/66/793967166.db2.gz SKCSGOWVOIOSLD-STQMWFEESA-N 2 2 362.496 -1.117 20 0 FAADLP [NH3+]CCC(=O)N[C@@H](Cc1c[nH+]cn1[C@H]1CCNC2(C[NH2+]C2)C1)C(=O)[O-] ZINC001246296008 793968070 /nfs/dbraw/zinc/96/80/70/793968070.db2.gz XDFGTCDXMSOXHQ-AAEUAGOBSA-N 2 2 350.423 -1.390 20 0 FAADLP [NH3+]CCC(=O)N[C@@H](Cc1c[nH+]cn1[C@@H]1CCNC2(C[NH2+]C2)C1)C(=O)[O-] ZINC001246296015 793967964 /nfs/dbraw/zinc/96/79/64/793967964.db2.gz XDFGTCDXMSOXHQ-YPMHNXCESA-N 2 2 350.423 -1.390 20 0 FAADLP Cn1c(=O)cc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)n(C)c1=O ZINC001254347013 793997878 /nfs/dbraw/zinc/99/78/78/793997878.db2.gz XYQFWRRSRFZZNA-UHFFFAOYSA-N 2 2 352.435 -1.257 20 0 FAADLP NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256074402 794008527 /nfs/dbraw/zinc/00/85/27/794008527.db2.gz XBYQQKWXGCEKKQ-AWEZNQCLSA-N 2 2 351.451 -1.205 20 0 FAADLP O=C(C[N@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)N1CC[NH2+]CC1 ZINC001261492696 794044455 /nfs/dbraw/zinc/04/44/55/794044455.db2.gz QKSPLVPJXWCEMC-AWEZNQCLSA-N 2 2 360.480 -1.455 20 0 FAADLP O=C(C[N@@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)N1CC[NH2+]CC1 ZINC001261492696 794044447 /nfs/dbraw/zinc/04/44/47/794044447.db2.gz QKSPLVPJXWCEMC-AWEZNQCLSA-N 2 2 360.480 -1.455 20 0 FAADLP O=C(C[N@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)N1CC[NH2+]CC1 ZINC001261492697 794044534 /nfs/dbraw/zinc/04/45/34/794044534.db2.gz QKSPLVPJXWCEMC-CQSZACIVSA-N 2 2 360.480 -1.455 20 0 FAADLP O=C(C[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)N1CC[NH2+]CC1 ZINC001261492697 794044527 /nfs/dbraw/zinc/04/45/27/794044527.db2.gz QKSPLVPJXWCEMC-CQSZACIVSA-N 2 2 360.480 -1.455 20 0 FAADLP [NH3+]CC1(O)CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC001261502263 794044706 /nfs/dbraw/zinc/04/47/06/794044706.db2.gz FGELORCQNWHRQY-AWEZNQCLSA-N 2 2 354.451 -1.521 20 0 FAADLP [NH3+]CC1(O)CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC001261502264 794044366 /nfs/dbraw/zinc/04/43/66/794044366.db2.gz FGELORCQNWHRQY-CQSZACIVSA-N 2 2 354.451 -1.521 20 0 FAADLP CC[NH+]1CCN(CCCCNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC001261820595 794061506 /nfs/dbraw/zinc/06/15/06/794061506.db2.gz DYWRFQMDAPTIDP-HNNXBMFYSA-N 2 2 355.483 -1.375 20 0 FAADLP CCN1CC[NH+](CCCCNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC001261820595 794061496 /nfs/dbraw/zinc/06/14/96/794061496.db2.gz DYWRFQMDAPTIDP-HNNXBMFYSA-N 2 2 355.483 -1.375 20 0 FAADLP CC[NH+]1CCN(CCCCNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC001261820596 794061693 /nfs/dbraw/zinc/06/16/93/794061693.db2.gz DYWRFQMDAPTIDP-OAHLLOKOSA-N 2 2 355.483 -1.375 20 0 FAADLP CCN1CC[NH+](CCCCNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC001261820596 794061685 /nfs/dbraw/zinc/06/16/85/794061685.db2.gz DYWRFQMDAPTIDP-OAHLLOKOSA-N 2 2 355.483 -1.375 20 0 FAADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC001262059078 794068306 /nfs/dbraw/zinc/06/83/06/794068306.db2.gz PBOGOCSSKRXSFS-STQMWFEESA-N 2 2 358.464 -1.816 20 0 FAADLP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001262063252 794067984 /nfs/dbraw/zinc/06/79/84/794067984.db2.gz UKPGHTDWKHRJEQ-KBPBESRZSA-N 2 2 354.451 -1.068 20 0 FAADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001262063253 794068037 /nfs/dbraw/zinc/06/80/37/794068037.db2.gz UKPGHTDWKHRJEQ-KGLIPLIRSA-N 2 2 354.451 -1.068 20 0 FAADLP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001262063254 794068235 /nfs/dbraw/zinc/06/82/35/794068235.db2.gz UKPGHTDWKHRJEQ-UONOGXRCSA-N 2 2 354.451 -1.068 20 0 FAADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001262063255 794068522 /nfs/dbraw/zinc/06/85/22/794068522.db2.gz UKPGHTDWKHRJEQ-ZIAGYGMSSA-N 2 2 354.451 -1.068 20 0 FAADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)c1nnnn1CCNS(C)(=O)=O ZINC001262216357 794070815 /nfs/dbraw/zinc/07/08/15/794070815.db2.gz ZMWFYCDLXXXOIV-UHFFFAOYSA-N 2 2 374.515 -1.316 20 0 FAADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)c1nnnn1CCNS(C)(=O)=O ZINC001262216357 794070806 /nfs/dbraw/zinc/07/08/06/794070806.db2.gz ZMWFYCDLXXXOIV-UHFFFAOYSA-N 2 2 374.515 -1.316 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)NCCOCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001262342971 794071300 /nfs/dbraw/zinc/07/13/00/794071300.db2.gz HHYNCXZXHCJBPM-KBPBESRZSA-N 2 2 358.439 -2.103 20 0 FAADLP C[NH+]1CCO[C@H](C(=O)NCCOCCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001262342971 794071291 /nfs/dbraw/zinc/07/12/91/794071291.db2.gz HHYNCXZXHCJBPM-KBPBESRZSA-N 2 2 358.439 -2.103 20 0 FAADLP C[NH+]1CCO[C@@H](C(=O)NCCOCCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001262342973 794071453 /nfs/dbraw/zinc/07/14/53/794071453.db2.gz HHYNCXZXHCJBPM-ZIAGYGMSSA-N 2 2 358.439 -2.103 20 0 FAADLP C[NH+]1CCO[C@@H](C(=O)NCCOCCNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001262342973 794071448 /nfs/dbraw/zinc/07/14/48/794071448.db2.gz HHYNCXZXHCJBPM-ZIAGYGMSSA-N 2 2 358.439 -2.103 20 0 FAADLP O=C1C[C@@H]([NH2+]C[C@H](O)C2(O)CCOCC2)CN1CC[NH+]1CCOCC1 ZINC001262567616 794075866 /nfs/dbraw/zinc/07/58/66/794075866.db2.gz YGXCDQRLIXVKPV-CABCVRRESA-N 2 2 357.451 -1.589 20 0 FAADLP O=C1C[C@H]([NH2+]C[C@H](O)C2(O)CCOCC2)CN1CC[NH+]1CCOCC1 ZINC001262567617 794075785 /nfs/dbraw/zinc/07/57/85/794075785.db2.gz YGXCDQRLIXVKPV-GJZGRUSLSA-N 2 2 357.451 -1.589 20 0 FAADLP O=C1C[C@@H]([NH2+]C[C@@H](O)C2(O)CCOCC2)CN1CC[NH+]1CCOCC1 ZINC001262567618 794075462 /nfs/dbraw/zinc/07/54/62/794075462.db2.gz YGXCDQRLIXVKPV-HUUCEWRRSA-N 2 2 357.451 -1.589 20 0 FAADLP O=C1C[C@H]([NH2+]C[C@@H](O)C2(O)CCOCC2)CN1CC[NH+]1CCOCC1 ZINC001262567619 794076043 /nfs/dbraw/zinc/07/60/43/794076043.db2.gz YGXCDQRLIXVKPV-LSDHHAIUSA-N 2 2 357.451 -1.589 20 0 FAADLP CN(C(=O)C[C@H](O)C[NH3+])C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001263112747 794076699 /nfs/dbraw/zinc/07/66/99/794076699.db2.gz PJTFMCXBZAFIRB-HNNXBMFYSA-N 3 2 355.483 -1.607 20 0 FAADLP CN(C(=O)C[C@@H](O)C[NH3+])C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001263112748 794076395 /nfs/dbraw/zinc/07/63/95/794076395.db2.gz PJTFMCXBZAFIRB-OAHLLOKOSA-N 3 2 355.483 -1.607 20 0 FAADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1CCNS(C)(=O)=O ZINC001264604234 794087002 /nfs/dbraw/zinc/08/70/02/794087002.db2.gz WQQKOBPMRACBNF-BFHYXJOUSA-N 2 2 362.496 -1.165 20 0 FAADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+]1CCNS(C)(=O)=O ZINC001264604234 794086992 /nfs/dbraw/zinc/08/69/92/794086992.db2.gz WQQKOBPMRACBNF-BFHYXJOUSA-N 2 2 362.496 -1.165 20 0 FAADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1CCNS(C)(=O)=O ZINC001264604234 794086986 /nfs/dbraw/zinc/08/69/86/794086986.db2.gz WQQKOBPMRACBNF-BFHYXJOUSA-N 2 2 362.496 -1.165 20 0 FAADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1CCNS(C)(=O)=O ZINC001264604234 794086976 /nfs/dbraw/zinc/08/69/76/794086976.db2.gz WQQKOBPMRACBNF-BFHYXJOUSA-N 2 2 362.496 -1.165 20 0 FAADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1CCNS(C)(=O)=O ZINC001264604235 794086862 /nfs/dbraw/zinc/08/68/62/794086862.db2.gz WQQKOBPMRACBNF-MJBXVCDLSA-N 2 2 362.496 -1.165 20 0 FAADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1CCNS(C)(=O)=O ZINC001264604235 794086854 /nfs/dbraw/zinc/08/68/54/794086854.db2.gz WQQKOBPMRACBNF-MJBXVCDLSA-N 2 2 362.496 -1.165 20 0 FAADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1CCNS(C)(=O)=O ZINC001264604235 794086846 /nfs/dbraw/zinc/08/68/46/794086846.db2.gz WQQKOBPMRACBNF-MJBXVCDLSA-N 2 2 362.496 -1.165 20 0 FAADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1CCNS(C)(=O)=O ZINC001264604235 794086837 /nfs/dbraw/zinc/08/68/37/794086837.db2.gz WQQKOBPMRACBNF-MJBXVCDLSA-N 2 2 362.496 -1.165 20 0 FAADLP CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@H+]1CC(=O)NC(N)=O ZINC001264621323 794087662 /nfs/dbraw/zinc/08/76/62/794087662.db2.gz RDGRRFXKFUHOHF-QWHCGFSZSA-N 2 2 355.439 -1.127 20 0 FAADLP CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@@H+]1CC(=O)NC(N)=O ZINC001264621323 794087654 /nfs/dbraw/zinc/08/76/54/794087654.db2.gz RDGRRFXKFUHOHF-QWHCGFSZSA-N 2 2 355.439 -1.127 20 0 FAADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC[NH+]1CC(=O)NC(N)=O ZINC001264625813 794087611 /nfs/dbraw/zinc/08/76/11/794087611.db2.gz MNLDUMSZIGGBDM-XQQFMLRXSA-N 2 2 355.439 -1.129 20 0 FAADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC[NH+]1CC(=O)NC(N)=O ZINC001264625813 794087603 /nfs/dbraw/zinc/08/76/03/794087603.db2.gz MNLDUMSZIGGBDM-XQQFMLRXSA-N 2 2 355.439 -1.129 20 0 FAADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC[N@H+]1CC(=O)NC(N)=O ZINC001264625813 794087598 /nfs/dbraw/zinc/08/75/98/794087598.db2.gz MNLDUMSZIGGBDM-XQQFMLRXSA-N 2 2 355.439 -1.129 20 0 FAADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC[N@@H+]1CC(=O)NC(N)=O ZINC001264625813 794087591 /nfs/dbraw/zinc/08/75/91/794087591.db2.gz MNLDUMSZIGGBDM-XQQFMLRXSA-N 2 2 355.439 -1.129 20 0 FAADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC[NH+]1CC(=O)NC(N)=O ZINC001264625859 794087857 /nfs/dbraw/zinc/08/78/57/794087857.db2.gz MNLDUMSZIGGBDM-YNEHKIRRSA-N 2 2 355.439 -1.129 20 0 FAADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)CC[NH+]1CC(=O)NC(N)=O ZINC001264625859 794087848 /nfs/dbraw/zinc/08/78/48/794087848.db2.gz MNLDUMSZIGGBDM-YNEHKIRRSA-N 2 2 355.439 -1.129 20 0 FAADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC[N@H+]1CC(=O)NC(N)=O ZINC001264625859 794087839 /nfs/dbraw/zinc/08/78/39/794087839.db2.gz MNLDUMSZIGGBDM-YNEHKIRRSA-N 2 2 355.439 -1.129 20 0 FAADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC[N@@H+]1CC(=O)NC(N)=O ZINC001264625859 794087834 /nfs/dbraw/zinc/08/78/34/794087834.db2.gz MNLDUMSZIGGBDM-YNEHKIRRSA-N 2 2 355.439 -1.129 20 0 FAADLP CC[C@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)[C@@H]1C)[NH+](C)C ZINC001264708613 794090862 /nfs/dbraw/zinc/09/08/62/794090862.db2.gz QMYGIMBNTUZYKD-HZSPNIEDSA-N 2 2 353.467 -1.136 20 0 FAADLP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)[C@@H]1C)[NH+](C)C ZINC001264708613 794090855 /nfs/dbraw/zinc/09/08/55/794090855.db2.gz QMYGIMBNTUZYKD-HZSPNIEDSA-N 2 2 353.467 -1.136 20 0 FAADLP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)[C@@H]1C)[NH+](C)C ZINC001264727600 794091333 /nfs/dbraw/zinc/09/13/33/794091333.db2.gz QMYGIMBNTUZYKD-RDBSUJKOSA-N 2 2 353.467 -1.136 20 0 FAADLP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)[C@@H]1C)[NH+](C)C ZINC001264727600 794091325 /nfs/dbraw/zinc/09/13/25/794091325.db2.gz QMYGIMBNTUZYKD-RDBSUJKOSA-N 2 2 353.467 -1.136 20 0 FAADLP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCN(Cc3nnn(C)n3)CC2)CC[N@H+]1C ZINC001265259031 794092818 /nfs/dbraw/zinc/09/28/18/794092818.db2.gz WBWISQBGQPKMHW-ZIAGYGMSSA-N 2 2 350.471 -1.216 20 0 FAADLP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCN(Cc3nnn(C)n3)CC2)CC[N@@H+]1C ZINC001265259031 794092811 /nfs/dbraw/zinc/09/28/11/794092811.db2.gz WBWISQBGQPKMHW-ZIAGYGMSSA-N 2 2 350.471 -1.216 20 0 FAADLP CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001266541075 789653184 /nfs/dbraw/zinc/65/31/84/789653184.db2.gz WFNCSOWFMSTVEG-ZNMIVQPWSA-N 2 2 354.451 -1.197 20 0 FAADLP O=C(C[NH+](CCO)CCO)N1CC[C@H]2C[N@@H+](CCn3ccnc3)C[C@H]21 ZINC001270175028 789700289 /nfs/dbraw/zinc/70/02/89/789700289.db2.gz ABJKWQUQAUVRLW-JKSUJKDBSA-N 2 2 351.451 -1.298 20 0 FAADLP O=C(C[NH+](CCO)CCO)N1CC[C@H]2C[N@H+](CCn3ccnc3)C[C@H]21 ZINC001270175028 789700276 /nfs/dbraw/zinc/70/02/76/789700276.db2.gz ABJKWQUQAUVRLW-JKSUJKDBSA-N 2 2 351.451 -1.298 20 0 FAADLP O=C(C[NH+](CCO)CCO)N1CC[C@H]2[C@@H]1CC[N@H+]2CCn1ccnc1 ZINC001270175219 789700921 /nfs/dbraw/zinc/70/09/21/789700921.db2.gz CVVPANURDJQAQI-HOTGVXAUSA-N 2 2 351.451 -1.155 20 0 FAADLP O=C(C[NH+](CCO)CCO)N1CC[C@H]2[C@@H]1CC[N@@H+]2CCn1ccnc1 ZINC001270175219 789700910 /nfs/dbraw/zinc/70/09/10/789700910.db2.gz CVVPANURDJQAQI-HOTGVXAUSA-N 2 2 351.451 -1.155 20 0 FAADLP CN(C)C(=O)C[NH+]1CC2(C1)CCN(C(=O)C[NH+](CCO)CCO)CC2 ZINC001270175905 789701004 /nfs/dbraw/zinc/70/10/04/789701004.db2.gz OCJICOBUAYATMB-UHFFFAOYSA-N 2 2 356.467 -1.714 20 0 FAADLP O=C(C[NH+](CCO)CCO)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCn1ccnc1 ZINC001270176490 789702227 /nfs/dbraw/zinc/70/22/27/789702227.db2.gz YODLYBVUDXRTGS-IYBDPMFKSA-N 2 2 351.451 -1.155 20 0 FAADLP O=C(C[NH+](CCO)CCO)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCn1ccnc1 ZINC001270176490 789702216 /nfs/dbraw/zinc/70/22/16/789702216.db2.gz YODLYBVUDXRTGS-IYBDPMFKSA-N 2 2 351.451 -1.155 20 0 FAADLP C[NH+](C)CCN1C(=O)COCC12CN(C(=O)[C@@H](CO)n1cc[nH+]c1)C2 ZINC001270302303 789706493 /nfs/dbraw/zinc/70/64/93/789706493.db2.gz XWBSVGGFPSGAGJ-CYBMUJFWSA-N 2 2 351.407 -1.582 20 0 FAADLP C[NH+](C)CCN1C(=O)COCC12CN(C(=O)[C@H](CO)n1cc[nH+]c1)C2 ZINC001270302304 789706075 /nfs/dbraw/zinc/70/60/75/789706075.db2.gz XWBSVGGFPSGAGJ-ZDUSSCGKSA-N 2 2 351.407 -1.582 20 0 FAADLP C[NH+](C)CCN1CC2(CN(C(=O)[C@@H](CO)n3cc[nH+]c3)C2)OCC1=O ZINC001270302327 789706139 /nfs/dbraw/zinc/70/61/39/789706139.db2.gz YQOIYNXISFEBAV-CYBMUJFWSA-N 2 2 351.407 -1.582 20 0 FAADLP C[NH+](C)CCN1CC2(CN(C(=O)[C@H](CO)n3cc[nH+]c3)C2)OCC1=O ZINC001270302328 789705964 /nfs/dbraw/zinc/70/59/64/789705964.db2.gz YQOIYNXISFEBAV-ZDUSSCGKSA-N 2 2 351.407 -1.582 20 0 FAADLP C[NH+](C)CCN1C(=O)COCC12CN(C[C@@H](O)C[NH+]1CCOCC1)C2 ZINC001277696709 793938681 /nfs/dbraw/zinc/93/86/81/793938681.db2.gz FTZSAMRAQTURRF-HNNXBMFYSA-N 2 2 356.467 -1.846 20 0 FAADLP C[NH+](C)CCN1C(=O)COCC12CN(C[C@H](O)C[NH+]1CCOCC1)C2 ZINC001277696712 793938318 /nfs/dbraw/zinc/93/83/18/793938318.db2.gz FTZSAMRAQTURRF-OAHLLOKOSA-N 2 2 356.467 -1.846 20 0 FAADLP COC(=O)[C@@H](O)C[N@H+]1CC[C@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001277770015 793941976 /nfs/dbraw/zinc/94/19/76/793941976.db2.gz BMALVNUQWFVKLZ-BBRMVZONSA-N 2 2 352.391 -1.280 20 0 FAADLP COC(=O)[C@@H](O)C[N@@H+]1CC[C@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001277770015 793941972 /nfs/dbraw/zinc/94/19/72/793941972.db2.gz BMALVNUQWFVKLZ-BBRMVZONSA-N 2 2 352.391 -1.280 20 0 FAADLP COC(=O)[C@H](O)C[N@H+]1CC[C@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001277770016 793941947 /nfs/dbraw/zinc/94/19/47/793941947.db2.gz BMALVNUQWFVKLZ-CJNGLKHVSA-N 2 2 352.391 -1.280 20 0 FAADLP COC(=O)[C@H](O)C[N@@H+]1CC[C@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001277770016 793941942 /nfs/dbraw/zinc/94/19/42/793941942.db2.gz BMALVNUQWFVKLZ-CJNGLKHVSA-N 2 2 352.391 -1.280 20 0 FAADLP COC(=O)[C@H](O)C[N@H+]1CC[C@@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001277770017 793942141 /nfs/dbraw/zinc/94/21/41/793942141.db2.gz BMALVNUQWFVKLZ-CZUORRHYSA-N 2 2 352.391 -1.280 20 0 FAADLP COC(=O)[C@H](O)C[N@@H+]1CC[C@@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001277770017 793942138 /nfs/dbraw/zinc/94/21/38/793942138.db2.gz BMALVNUQWFVKLZ-CZUORRHYSA-N 2 2 352.391 -1.280 20 0 FAADLP COC(=O)[C@@H](O)C[N@H+]1CC[C@@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001277770018 793942260 /nfs/dbraw/zinc/94/22/60/793942260.db2.gz BMALVNUQWFVKLZ-XJKSGUPXSA-N 2 2 352.391 -1.280 20 0 FAADLP COC(=O)[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001277770018 793942253 /nfs/dbraw/zinc/94/22/53/793942253.db2.gz BMALVNUQWFVKLZ-XJKSGUPXSA-N 2 2 352.391 -1.280 20 0 FAADLP COC(=O)[C@@H](O)C[N@H+]1CC[C@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001277774249 793943805 /nfs/dbraw/zinc/94/38/05/793943805.db2.gz FVPGBSHLHWJVKI-BBRMVZONSA-N 2 2 352.391 -1.243 20 0 FAADLP COC(=O)[C@@H](O)C[N@@H+]1CC[C@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001277774249 793943799 /nfs/dbraw/zinc/94/37/99/793943799.db2.gz FVPGBSHLHWJVKI-BBRMVZONSA-N 2 2 352.391 -1.243 20 0 FAADLP COC(=O)[C@H](O)C[N@H+]1CC[C@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001277774250 793944129 /nfs/dbraw/zinc/94/41/29/793944129.db2.gz FVPGBSHLHWJVKI-CJNGLKHVSA-N 2 2 352.391 -1.243 20 0 FAADLP COC(=O)[C@H](O)C[N@@H+]1CC[C@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001277774250 793944125 /nfs/dbraw/zinc/94/41/25/793944125.db2.gz FVPGBSHLHWJVKI-CJNGLKHVSA-N 2 2 352.391 -1.243 20 0 FAADLP COC(=O)[C@H](O)C[N@H+]1CC[C@@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001277774252 793944361 /nfs/dbraw/zinc/94/43/61/793944361.db2.gz FVPGBSHLHWJVKI-CZUORRHYSA-N 2 2 352.391 -1.243 20 0 FAADLP COC(=O)[C@H](O)C[N@@H+]1CC[C@@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001277774252 793944355 /nfs/dbraw/zinc/94/43/55/793944355.db2.gz FVPGBSHLHWJVKI-CZUORRHYSA-N 2 2 352.391 -1.243 20 0 FAADLP COC(=O)[C@@H](O)C[N@H+]1CC[C@@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001277774255 793944287 /nfs/dbraw/zinc/94/42/87/793944287.db2.gz FVPGBSHLHWJVKI-XJKSGUPXSA-N 2 2 352.391 -1.243 20 0 FAADLP COC(=O)[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001277774255 793944281 /nfs/dbraw/zinc/94/42/81/793944281.db2.gz FVPGBSHLHWJVKI-XJKSGUPXSA-N 2 2 352.391 -1.243 20 0 FAADLP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001278120759 793955870 /nfs/dbraw/zinc/95/58/70/793955870.db2.gz XTOMYXKSYWRJBY-MCIONIFRSA-N 2 2 358.439 -2.321 20 0 FAADLP CNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001278120760 793955482 /nfs/dbraw/zinc/95/54/82/793955482.db2.gz XTOMYXKSYWRJBY-MJBXVCDLSA-N 2 2 358.439 -2.321 20 0 FAADLP CN(C)S(=O)(=O)N1CC2(C1)CC[NH+](CC(=O)N1CC[NH+](C)CC1)CC2 ZINC001280074997 794112806 /nfs/dbraw/zinc/11/28/06/794112806.db2.gz PERIMFCFJNYWBU-UHFFFAOYSA-N 2 2 373.523 -1.035 20 0 FAADLP CNC(=O)C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](COCCOC)C[C@@H]12 ZINC001280206251 794120008 /nfs/dbraw/zinc/12/00/08/794120008.db2.gz JZABRMNUGACASJ-KBPBESRZSA-N 2 2 354.451 -1.135 20 0 FAADLP CNC(=O)C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](COCCOC)C[C@@H]12 ZINC001280206251 794120006 /nfs/dbraw/zinc/12/00/06/794120006.db2.gz JZABRMNUGACASJ-KBPBESRZSA-N 2 2 354.451 -1.135 20 0 FAADLP CNC(=O)C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](COCCOC)C[C@H]12 ZINC001280206253 794119841 /nfs/dbraw/zinc/11/98/41/794119841.db2.gz JZABRMNUGACASJ-ZIAGYGMSSA-N 2 2 354.451 -1.135 20 0 FAADLP CNC(=O)C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](COCCOC)C[C@H]12 ZINC001280206253 794119836 /nfs/dbraw/zinc/11/98/36/794119836.db2.gz JZABRMNUGACASJ-ZIAGYGMSSA-N 2 2 354.451 -1.135 20 0 FAADLP CO[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001281840129 794183101 /nfs/dbraw/zinc/18/31/01/794183101.db2.gz QFFUQCCJWAGZKK-KFWWJZLASA-N 2 2 356.467 -1.001 20 0 FAADLP CO[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001281840129 794183095 /nfs/dbraw/zinc/18/30/95/794183095.db2.gz QFFUQCCJWAGZKK-KFWWJZLASA-N 2 2 356.467 -1.001 20 0 FAADLP CO[C@@H]1CN(C(=O)[C@@H]2C[NH+](C)CCO2)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001281840129 794183090 /nfs/dbraw/zinc/18/30/90/794183090.db2.gz QFFUQCCJWAGZKK-KFWWJZLASA-N 2 2 356.467 -1.001 20 0 FAADLP CO[C@@H]1CN(C(=O)[C@@H]2C[NH+](C)CCO2)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001281840129 794183084 /nfs/dbraw/zinc/18/30/84/794183084.db2.gz QFFUQCCJWAGZKK-KFWWJZLASA-N 2 2 356.467 -1.001 20 0 FAADLP CO[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001281840131 794182748 /nfs/dbraw/zinc/18/27/48/794182748.db2.gz QFFUQCCJWAGZKK-RBSFLKMASA-N 2 2 356.467 -1.001 20 0 FAADLP CO[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001281840131 794182740 /nfs/dbraw/zinc/18/27/40/794182740.db2.gz QFFUQCCJWAGZKK-RBSFLKMASA-N 2 2 356.467 -1.001 20 0 FAADLP CO[C@@H]1CN(C(=O)[C@H]2C[NH+](C)CCO2)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001281840131 794182736 /nfs/dbraw/zinc/18/27/36/794182736.db2.gz QFFUQCCJWAGZKK-RBSFLKMASA-N 2 2 356.467 -1.001 20 0 FAADLP CO[C@@H]1CN(C(=O)[C@H]2C[NH+](C)CCO2)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001281840131 794182729 /nfs/dbraw/zinc/18/27/29/794182729.db2.gz QFFUQCCJWAGZKK-RBSFLKMASA-N 2 2 356.467 -1.001 20 0 FAADLP CO[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001289460517 794306423 /nfs/dbraw/zinc/30/64/23/794306423.db2.gz YGTMYBFNAPIUBX-KFWWJZLASA-N 2 2 356.467 -1.001 20 0 FAADLP CO[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001289460517 794306419 /nfs/dbraw/zinc/30/64/19/794306419.db2.gz YGTMYBFNAPIUBX-KFWWJZLASA-N 2 2 356.467 -1.001 20 0 FAADLP CO[C@@H]1CN(C(=O)C[NH+](C)C(C)C)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001289460517 794306415 /nfs/dbraw/zinc/30/64/15/794306415.db2.gz YGTMYBFNAPIUBX-KFWWJZLASA-N 2 2 356.467 -1.001 20 0 FAADLP CO[C@@H]1CN(C(=O)C[NH+](C)C(C)C)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001289460517 794306408 /nfs/dbraw/zinc/30/64/08/794306408.db2.gz YGTMYBFNAPIUBX-KFWWJZLASA-N 2 2 356.467 -1.001 20 0 FAADLP CO[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001289460518 794306685 /nfs/dbraw/zinc/30/66/85/794306685.db2.gz YGTMYBFNAPIUBX-RBSFLKMASA-N 2 2 356.467 -1.001 20 0 FAADLP CO[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001289460518 794306683 /nfs/dbraw/zinc/30/66/83/794306683.db2.gz YGTMYBFNAPIUBX-RBSFLKMASA-N 2 2 356.467 -1.001 20 0 FAADLP CO[C@@H]1CN(C(=O)C[NH+](C)C(C)C)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001289460518 794306680 /nfs/dbraw/zinc/30/66/80/794306680.db2.gz YGTMYBFNAPIUBX-RBSFLKMASA-N 2 2 356.467 -1.001 20 0 FAADLP CO[C@@H]1CN(C(=O)C[NH+](C)C(C)C)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001289460518 794306676 /nfs/dbraw/zinc/30/66/76/794306676.db2.gz YGTMYBFNAPIUBX-RBSFLKMASA-N 2 2 356.467 -1.001 20 0 FAADLP CO[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001289505243 794310017 /nfs/dbraw/zinc/31/00/17/794310017.db2.gz JLUDDQOOMGAQCH-ZIAGYGMSSA-N 2 2 353.423 -1.197 20 0 FAADLP CO[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001289533217 794312473 /nfs/dbraw/zinc/31/24/73/794312473.db2.gz JEISGPIBHZHMAL-CHWSQXEVSA-N 2 2 353.423 -1.128 20 0 FAADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1O ZINC001289685673 794338396 /nfs/dbraw/zinc/33/83/96/794338396.db2.gz GOGATHLKBMYJKN-KGLIPLIRSA-N 2 2 353.423 -1.771 20 0 FAADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cn(C[C@H]2CNC(=O)O2)nn1 ZINC001300613034 794393872 /nfs/dbraw/zinc/39/38/72/794393872.db2.gz KGZVBKOAKXBKGC-GFCCVEGCSA-N 2 2 353.427 -1.000 20 0 FAADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cn(C[C@H]2CNC(=O)O2)nn1 ZINC001300613034 794393862 /nfs/dbraw/zinc/39/38/62/794393862.db2.gz KGZVBKOAKXBKGC-GFCCVEGCSA-N 2 2 353.427 -1.000 20 0 FAADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1 ZINC001300613035 794394349 /nfs/dbraw/zinc/39/43/49/794394349.db2.gz KGZVBKOAKXBKGC-LBPRGKRZSA-N 2 2 353.427 -1.000 20 0 FAADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1 ZINC001300613035 794394339 /nfs/dbraw/zinc/39/43/39/794394339.db2.gz KGZVBKOAKXBKGC-LBPRGKRZSA-N 2 2 353.427 -1.000 20 0 FAADLP