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KWAMKOQQEGGNIX-RXMQYKEDSA-N -1 3 171.204 -0.676 10 0 ABAEHM CC1(C)C[C@](N)(c2nn[n-]n2)CO1 306962205 1423664642 /nfs/dbraw/zinc/66/46/42/1423664642.db2.gz FUBITKFXAFGTHY-SSDOTTSWSA-N -1 3 183.215 -0.447 10 0 ABAEHM CC1(C)C[C@](N)(c2nnn[n-]2)CO1 306962205 1423664644 /nfs/dbraw/zinc/66/46/44/1423664644.db2.gz FUBITKFXAFGTHY-SSDOTTSWSA-N -1 3 183.215 -0.447 10 0 ABAEHM C[C@H]1[C@@H](CO)CCN1Cc1nn[n-]n1 306750994 1423684150 /nfs/dbraw/zinc/68/41/50/1423684150.db2.gz KZXLJRRSRPCQGD-NKWVEPMBSA-N -1 3 197.242 -0.598 10 0 ABAEHM Nc1cccc([C@@H](N)c2nn[n-]n2)c1 166178141 1423686324 /nfs/dbraw/zinc/68/63/24/1423686324.db2.gz LNPCQDMBLHKTMD-SSDOTTSWSA-N -1 3 190.210 -0.170 10 0 ABAEHM Nc1cccc([C@@H](N)c2nnn[n-]2)c1 166178141 1423686326 /nfs/dbraw/zinc/68/63/26/1423686326.db2.gz LNPCQDMBLHKTMD-SSDOTTSWSA-N -1 3 190.210 -0.170 10 0 ABAEHM C[C@](N)(c1nnn[n-]1)[C@H]1CCCO1 306370031 1423705169 /nfs/dbraw/zinc/70/51/69/1423705169.db2.gz MXBGYAJRUBHFLR-IYSWYEEDSA-N -1 3 183.215 -0.447 10 0 ABAEHM C[C@H](NCc1nn[n-]n1)[C@H]1CCCO1 95238316 1423720723 /nfs/dbraw/zinc/72/07/23/1423720723.db2.gz PNYRBLHMSIMCFG-NKWVEPMBSA-N -1 3 197.242 -0.143 10 0 ABAEHM C[C@H](NCc1nnn[n-]1)[C@H]1CCCO1 95238316 1423720729 /nfs/dbraw/zinc/72/07/29/1423720729.db2.gz PNYRBLHMSIMCFG-NKWVEPMBSA-N -1 3 197.242 -0.143 10 0 ABAEHM CO[C@@H]1CCC[C@H]1NCc1nn[n-]n1 95316485 1423721941 /nfs/dbraw/zinc/72/19/41/1423721941.db2.gz WTSKMJSMZSXEBN-RNFRBKRXSA-N -1 3 197.242 -0.143 10 0 ABAEHM CO[C@@H]1CCC[C@H]1NCc1nnn[n-]1 95316485 1423721942 /nfs/dbraw/zinc/72/19/42/1423721942.db2.gz WTSKMJSMZSXEBN-RNFRBKRXSA-N -1 3 197.242 -0.143 10 0 ABAEHM c1cc(CNCCc2nn[n-]n2)n[nH]1 95150538 1423744534 /nfs/dbraw/zinc/74/45/34/1423744534.db2.gz HHHLYIYMNPMFMU-UHFFFAOYSA-N -1 3 193.214 -0.745 10 0 ABAEHM c1cc(CNCCc2nnn[n-]2)n[nH]1 95150538 1423744537 /nfs/dbraw/zinc/74/45/37/1423744537.db2.gz HHHLYIYMNPMFMU-UHFFFAOYSA-N -1 3 193.214 -0.745 10 0 ABAEHM C[C@@H]1C[C@](N)(c2nnn[n-]2)[C@@H](C)O1 307218340 1423750450 /nfs/dbraw/zinc/75/04/50/1423750450.db2.gz CSZIELWZJFLKMO-WYDQCIBASA-N -1 3 183.215 -0.449 10 0 ABAEHM C[C@H]1C[C@@H](NCc2nn[n-]n2)CO1 401817519 1423770881 /nfs/dbraw/zinc/77/08/81/1423770881.db2.gz BESCKFWDHRVDJO-NTSWFWBYSA-N -1 3 183.215 -0.533 10 0 ABAEHM C[C@H]1C[C@@H](NCc2nnn[n-]2)CO1 401817519 1423770882 /nfs/dbraw/zinc/77/08/82/1423770882.db2.gz BESCKFWDHRVDJO-NTSWFWBYSA-N -1 3 183.215 -0.533 10 0 ABAEHM C[C@@H]1C[C@@H](NCc2nn[n-]n2)[C@@H](C)O1 306566847 1423772214 /nfs/dbraw/zinc/77/22/14/1423772214.db2.gz ZEBMMOWSMWQDHH-FSDSQADBSA-N -1 3 197.242 -0.145 10 0 ABAEHM C[C@@H]1C[C@@H](NCc2nnn[n-]2)[C@@H](C)O1 306566847 1423772215 /nfs/dbraw/zinc/77/22/15/1423772215.db2.gz ZEBMMOWSMWQDHH-FSDSQADBSA-N -1 3 197.242 -0.145 10 0 ABAEHM C[C@H]1OCC[C@@H]1NCc1nn[n-]n1 134390202 1423773539 /nfs/dbraw/zinc/77/35/39/1423773539.db2.gz RDUCTGYNWBHCKI-RITPCOANSA-N -1 3 183.215 -0.533 10 0 ABAEHM C[C@H]1OCC[C@@H]1NCc1nnn[n-]1 134390202 1423773542 /nfs/dbraw/zinc/77/35/42/1423773542.db2.gz RDUCTGYNWBHCKI-RITPCOANSA-N -1 3 183.215 -0.533 10 0 ABAEHM C1CO[C@@H](CNCc2nn[n-]n2)C1 84447836 1423774235 /nfs/dbraw/zinc/77/42/35/1423774235.db2.gz BVVBQANKWWFANR-ZCFIWIBFSA-N -1 3 183.215 -0.532 10 0 ABAEHM C1CO[C@@H](CNCc2nnn[n-]2)C1 84447836 1423774236 /nfs/dbraw/zinc/77/42/36/1423774236.db2.gz BVVBQANKWWFANR-ZCFIWIBFSA-N -1 3 183.215 -0.532 10 0 ABAEHM CC[C@@](N)(COC)c1nnn[n-]1 70624859 1423782635 /nfs/dbraw/zinc/78/26/35/1423782635.db2.gz AXZYPTZREZEBCZ-ZCFIWIBFSA-N -1 3 171.204 -0.590 10 0 ABAEHM CC1(C)[C@@H](O)C[C@H]1NCc1nn[n-]n1 159555968 1423791522 /nfs/dbraw/zinc/79/15/22/1423791522.db2.gz NBMGISXNTLFNPC-RITPCOANSA-N -1 3 197.242 -0.551 10 0 ABAEHM CC1(C)[C@@H](O)C[C@H]1NCc1nnn[n-]1 159555968 1423791525 /nfs/dbraw/zinc/79/15/25/1423791525.db2.gz NBMGISXNTLFNPC-RITPCOANSA-N -1 3 197.242 -0.551 10 0 ABAEHM Nc1cc(NCc2nn[n-]n2)ncn1 165105744 1423793053 /nfs/dbraw/zinc/79/30/53/1423793053.db2.gz JLWBEOOAAMFJHS-UHFFFAOYSA-N -1 3 192.186 -0.816 10 0 ABAEHM CO[C@@H](C)[C@H](N)c1nn[n-]n1 307198552 1423808500 /nfs/dbraw/zinc/80/85/00/1423808500.db2.gz VJRZEQJFPWPHEF-IMJSIDKUSA-N -1 3 157.177 -0.766 10 0 ABAEHM CO[C@@H](C)[C@H](N)c1nnn[n-]1 307198552 1423808515 /nfs/dbraw/zinc/80/85/15/1423808515.db2.gz VJRZEQJFPWPHEF-IMJSIDKUSA-N -1 3 157.177 -0.766 10 0 ABAEHM C[C@@H]1C[C@@](N)(c2nnn[n-]2)[C@@H](C)O1 307218342 1423823866 /nfs/dbraw/zinc/82/38/66/1423823866.db2.gz CSZIELWZJFLKMO-XAHCXIQSSA-N -1 3 183.215 -0.449 10 0 ABAEHM C[C@@H]1OCC[C@H]1NCc1nn[n-]n1 134390179 1423832879 /nfs/dbraw/zinc/83/28/79/1423832879.db2.gz RDUCTGYNWBHCKI-NTSWFWBYSA-N -1 3 183.215 -0.533 10 0 ABAEHM C[C@@H]1OCC[C@H]1NCc1nnn[n-]1 134390179 1423832886 /nfs/dbraw/zinc/83/28/86/1423832886.db2.gz RDUCTGYNWBHCKI-NTSWFWBYSA-N -1 3 183.215 -0.533 10 0 ABAEHM CC1(C)OCC[C@H]1NCc1nnn[n-]1 307009474 1423841930 /nfs/dbraw/zinc/84/19/30/1423841930.db2.gz NDEVAAODARWBOJ-ZCFIWIBFSA-N -1 3 197.242 -0.143 10 0 ABAEHM C1CO[C@H](CNCc2nn[n-]n2)C1 84447838 1423855354 /nfs/dbraw/zinc/85/53/54/1423855354.db2.gz BVVBQANKWWFANR-LURJTMIESA-N -1 3 183.215 -0.532 10 0 ABAEHM C1CO[C@H](CNCc2nnn[n-]2)C1 84447838 1423855356 /nfs/dbraw/zinc/85/53/56/1423855356.db2.gz BVVBQANKWWFANR-LURJTMIESA-N -1 3 183.215 -0.532 10 0 ABAEHM C1CN(CCc2nn[n-]n2)CCS1 95127633 1423872686 /nfs/dbraw/zinc/87/26/86/1423872686.db2.gz ZEKFXPNCUCIVQT-UHFFFAOYSA-N -1 3 199.283 -0.209 10 0 ABAEHM C1CN(CCc2nnn[n-]2)CCS1 95127633 1423872693 /nfs/dbraw/zinc/87/26/93/1423872693.db2.gz ZEKFXPNCUCIVQT-UHFFFAOYSA-N -1 3 199.283 -0.209 10 0 ABAEHM N[C@H](c1ccc(O)cc1)c1nn[n-]n1 19729492 1423878380 /nfs/dbraw/zinc/87/83/80/1423878380.db2.gz WXAHBVXRUCVHAD-SSDOTTSWSA-N -1 3 191.194 -0.047 10 0 ABAEHM N[C@H](c1ccc(O)cc1)c1nnn[n-]1 19729492 1423878386 /nfs/dbraw/zinc/87/83/86/1423878386.db2.gz WXAHBVXRUCVHAD-SSDOTTSWSA-N -1 3 191.194 -0.047 10 0 ABAEHM CO[C@H]1CCC[C@@H]1NCc1nn[n-]n1 95316484 1423883288 /nfs/dbraw/zinc/88/32/88/1423883288.db2.gz WTSKMJSMZSXEBN-BQBZGAKWSA-N -1 3 197.242 -0.143 10 0 ABAEHM CO[C@H]1CCC[C@@H]1NCc1nnn[n-]1 95316484 1423883295 /nfs/dbraw/zinc/88/32/95/1423883295.db2.gz WTSKMJSMZSXEBN-BQBZGAKWSA-N -1 3 197.242 -0.143 10 0 ABAEHM C[C@@](N)(c1nnn[n-]1)[C@@H]1CCCO1 306370028 1423899116 /nfs/dbraw/zinc/89/91/16/1423899116.db2.gz MXBGYAJRUBHFLR-FSPLSTOPSA-N -1 3 183.215 -0.447 10 0 ABAEHM Cc1ccncc1[C@@H](N)c1nn[n-]n1 135518310 1423900832 /nfs/dbraw/zinc/90/08/32/1423900832.db2.gz SEPPLGNBCWTKTL-SSDOTTSWSA-N -1 3 190.210 -0.049 10 0 ABAEHM C[C@@H]1CC[C@@H](CNCc2nn[n-]n2)O1 148658716 1423917361 /nfs/dbraw/zinc/91/73/61/1423917361.db2.gz ZKHLCBWQRCTMBQ-RQJHMYQMSA-N -1 3 197.242 -0.143 10 0 ABAEHM C[C@@H]1CC[C@@H](CNCc2nnn[n-]2)O1 148658716 1423917365 /nfs/dbraw/zinc/91/73/65/1423917365.db2.gz ZKHLCBWQRCTMBQ-RQJHMYQMSA-N -1 3 197.242 -0.143 10 0 ABAEHM CO[C@H](C)[C@](C)(N)c1nnn[n-]1 229424471 1423932150 /nfs/dbraw/zinc/93/21/50/1423932150.db2.gz GWOQNBHPXYNCTA-XINAWCOVSA-N -1 3 171.204 -0.592 10 0 ABAEHM C[C@H]1OCC[C@H]1NCc1nn[n-]n1 134390159 1423933742 /nfs/dbraw/zinc/93/37/42/1423933742.db2.gz RDUCTGYNWBHCKI-PHDIDXHHSA-N -1 3 183.215 -0.533 10 0 ABAEHM C[C@H]1OCC[C@H]1NCc1nnn[n-]1 134390159 1423933746 /nfs/dbraw/zinc/93/37/46/1423933746.db2.gz RDUCTGYNWBHCKI-PHDIDXHHSA-N -1 3 183.215 -0.533 10 0 ABAEHM C[C@@H]1OCC[C@]1(N)c1nnn[n-]1 133315290 1423942629 /nfs/dbraw/zinc/94/26/29/1423942629.db2.gz MYVZMFBICWGXDV-UJURSFKZSA-N -1 3 169.188 -0.838 10 0 ABAEHM C[C@H]1OCC[C@@]1(N)c1nnn[n-]1 133314663 1423946047 /nfs/dbraw/zinc/94/60/47/1423946047.db2.gz MYVZMFBICWGXDV-XINAWCOVSA-N -1 3 169.188 -0.838 10 0 ABAEHM COC(C)(C)[C@@H](N)c1nn[n-]n1 307190653 1423953173 /nfs/dbraw/zinc/95/31/73/1423953173.db2.gz YFXSSGNTMGAPHK-BYPYZUCNSA-N -1 3 171.204 -0.376 10 0 ABAEHM COC(C)(C)[C@@H](N)c1nnn[n-]1 307190653 1423953176 /nfs/dbraw/zinc/95/31/76/1423953176.db2.gz YFXSSGNTMGAPHK-BYPYZUCNSA-N -1 3 171.204 -0.376 10 0 ABAEHM COC[C@H](NCc1nn[n-]n1)C1CC1 87479865 1423960598 /nfs/dbraw/zinc/96/05/98/1423960598.db2.gz SNFGMIZBURFRBG-ZETCQYMHSA-N -1 3 197.242 -0.286 10 0 ABAEHM COC[C@H](NCc1nnn[n-]1)C1CC1 87479865 1423960601 /nfs/dbraw/zinc/96/06/01/1423960601.db2.gz SNFGMIZBURFRBG-ZETCQYMHSA-N -1 3 197.242 -0.286 10 0 ABAEHM C1CC1N1CC[C@@H](Nc2nnn[n-]2)C1 95127407 1423972175 /nfs/dbraw/zinc/97/21/75/1423972175.db2.gz VDXMOEGGQRNEPZ-ZCFIWIBFSA-N -1 3 194.242 -0.152 10 0 ABAEHM C[C@@H]1CC[C@@H]([C@@H](N)c2nn[n-]n2)O1 227050667 1423980419 /nfs/dbraw/zinc/98/04/19/1423980419.db2.gz FYNIMKULANOVOV-NGJCXOISSA-N -1 3 183.215 -0.233 10 0 ABAEHM C[C@@H]1CC[C@@H]([C@@H](N)c2nnn[n-]2)O1 227050667 1423980422 /nfs/dbraw/zinc/98/04/22/1423980422.db2.gz FYNIMKULANOVOV-NGJCXOISSA-N -1 3 183.215 -0.233 10 0 ABAEHM Cc1cc(CNc2nnn[n-]2)n[nH]1 307750509 1424026225 /nfs/dbraw/zinc/02/62/25/1424026225.db2.gz KKBYPZMCGAFZPZ-UHFFFAOYSA-N -1 3 179.187 -0.157 10 0 ABAEHM Cc1cc(CNc2nn[n-]n2)n[nH]1 307750509 1424026231 /nfs/dbraw/zinc/02/62/31/1424026231.db2.gz KKBYPZMCGAFZPZ-UHFFFAOYSA-N -1 3 179.187 -0.157 10 0 ABAEHM CCC[C@@H](N)C(=O)Nc1nn[n-]n1 306285193 1424028107 /nfs/dbraw/zinc/02/81/07/1424028107.db2.gz DWDQZMDQUKEMNF-SCSAIBSYSA-N -1 3 184.203 -0.734 10 0 ABAEHM CCC[C@@H](N)C(=O)Nc1nnn[n-]1 306285193 1424028113 /nfs/dbraw/zinc/02/81/13/1424028113.db2.gz DWDQZMDQUKEMNF-SCSAIBSYSA-N -1 3 184.203 -0.734 10 0 ABAEHM COC[C@H](C)NCc1nn[n-]n1 53197295 1424039405 /nfs/dbraw/zinc/03/94/05/1424039405.db2.gz KWAMKOQQEGGNIX-YFKPBYRVSA-N -1 3 171.204 -0.676 10 0 ABAEHM COC[C@H](C)NCc1nnn[n-]1 53197295 1424039411 /nfs/dbraw/zinc/03/94/11/1424039411.db2.gz KWAMKOQQEGGNIX-YFKPBYRVSA-N -1 3 171.204 -0.676 10 0 ABAEHM CN1CCC[C@H]1c1nn[n-]n1 88384427 1424063586 /nfs/dbraw/zinc/06/35/86/1424063586.db2.gz JOWHBSNQOIKRFU-YFKPBYRVSA-N -1 3 153.189 -0.034 10 0 ABAEHM C1C[C@H](NCc2nnn[n-]2)CS1 44927721 1424086273 /nfs/dbraw/zinc/08/62/73/1424086273.db2.gz PGEZTHCDUKJTTM-YFKPBYRVSA-N -1 3 185.256 -0.205 10 0 ABAEHM C[C@@H]1CC[C@H](CNCc2nn[n-]n2)O1 148658277 1424094645 /nfs/dbraw/zinc/09/46/45/1424094645.db2.gz ZKHLCBWQRCTMBQ-RNFRBKRXSA-N -1 3 197.242 -0.143 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/nfs/dbraw/zinc/12/08/00/1424120800.db2.gz BULMBEBNDOWUQO-SCSAIBSYSA-N -1 3 198.255 -0.219 10 0 ABAEHM c1cnn(CCNCc2nn[n-]n2)c1 95109591 1424139099 /nfs/dbraw/zinc/13/90/99/1424139099.db2.gz WXWUSNLNOYWNOE-UHFFFAOYSA-N -1 3 193.214 -0.814 10 0 ABAEHM c1cnn(CCNCc2nnn[n-]2)c1 95109591 1424139102 /nfs/dbraw/zinc/13/91/02/1424139102.db2.gz WXWUSNLNOYWNOE-UHFFFAOYSA-N -1 3 193.214 -0.814 10 0 ABAEHM C[C@@H]1OCC[C@@]1(N)c1nnn[n-]1 133314897 1424147757 /nfs/dbraw/zinc/14/77/57/1424147757.db2.gz MYVZMFBICWGXDV-NJGYIYPDSA-N -1 3 169.188 -0.838 10 0 ABAEHM CN1CCCN(C)[C@H](c2nnn[n-]2)C1 95189066 1424155075 /nfs/dbraw/zinc/15/50/75/1424155075.db2.gz GGXQEZMKQCTGFI-ZETCQYMHSA-N -1 3 196.258 -0.492 10 0 ABAEHM CCC[C@@H]1COC[C@@]1(N)c1nnn[n-]1 699455443 1424157467 /nfs/dbraw/zinc/15/74/67/1424157467.db2.gz CCRVCHQMQUHQPL-SVRRBLITSA-N -1 3 197.242 -0.200 10 0 ABAEHM CC(C)(C)N(CCO)Cc1nn[n-]n1 690919824 1424191175 /nfs/dbraw/zinc/19/11/75/1424191175.db2.gz ZZRTZQIYRADZNW-UHFFFAOYSA-N -1 3 199.258 -0.208 10 0 ABAEHM CN1CC[C@H](Nc2nnn[n-]2)C1 95308407 1424227861 /nfs/dbraw/zinc/22/78/61/1424227861.db2.gz AKAMMVAOAYBITL-YFKPBYRVSA-N -1 3 168.204 -0.684 10 0 ABAEHM C1=CO[C@@H](CNCc2nn[n-]n2)CC1 50269681 1424230732 /nfs/dbraw/zinc/23/07/32/1424230732.db2.gz WOFQAXBBHSFRGZ-SSDOTTSWSA-N -1 3 195.226 -0.018 10 0 ABAEHM C1=CO[C@@H](CNCc2nnn[n-]2)CC1 50269681 1424230735 /nfs/dbraw/zinc/23/07/35/1424230735.db2.gz WOFQAXBBHSFRGZ-SSDOTTSWSA-N -1 3 195.226 -0.018 10 0 ABAEHM CC[C@H](COC)NCc1nn[n-]n1 70624328 1424234010 /nfs/dbraw/zinc/23/40/10/1424234010.db2.gz HRPMGIYPQUWRPU-ZCFIWIBFSA-N -1 3 185.231 -0.286 10 0 ABAEHM CC[C@H](COC)NCc1nnn[n-]1 70624328 1424234018 /nfs/dbraw/zinc/23/40/18/1424234018.db2.gz HRPMGIYPQUWRPU-ZCFIWIBFSA-N -1 3 185.231 -0.286 10 0 ABAEHM CO[C@@H](C)[C@@](C)(N)c1nnn[n-]1 229424440 1424236463 /nfs/dbraw/zinc/23/64/63/1424236463.db2.gz GWOQNBHPXYNCTA-UJURSFKZSA-N -1 3 171.204 -0.592 10 0 ABAEHM C1COC[C@@H](NCc2nn[n-]n2)C1 70014076 1424240052 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ABAEHM CC1(C)[C@H](O)C[C@H]1NCc1nnn[n-]1 159556236 1424269585 /nfs/dbraw/zinc/26/95/85/1424269585.db2.gz NBMGISXNTLFNPC-PHDIDXHHSA-N -1 3 197.242 -0.551 10 0 ABAEHM Nc1cccc([C@H](N)c2nn[n-]n2)c1 166178263 1424270194 /nfs/dbraw/zinc/27/01/94/1424270194.db2.gz LNPCQDMBLHKTMD-ZETCQYMHSA-N -1 3 190.210 -0.170 10 0 ABAEHM Nc1cccc([C@H](N)c2nnn[n-]2)c1 166178263 1424270202 /nfs/dbraw/zinc/27/02/02/1424270202.db2.gz LNPCQDMBLHKTMD-ZETCQYMHSA-N -1 3 190.210 -0.170 10 0 ABAEHM COC[C@@H](NCc1nnn[n-]1)C(C)C 87479861 1424286334 /nfs/dbraw/zinc/28/63/34/1424286334.db2.gz QIYNXMDBVIKDAF-SSDOTTSWSA-N -1 3 199.258 -0.040 10 0 ABAEHM COC1CC(NCc2nn[n-]n2)C1 234707266 1424299486 /nfs/dbraw/zinc/29/94/86/1424299486.db2.gz BWALKIPFDGVQPQ-UHFFFAOYSA-N -1 3 183.215 -0.533 10 0 ABAEHM COC1CC(NCc2nnn[n-]2)C1 234707266 1424299497 /nfs/dbraw/zinc/29/94/97/1424299497.db2.gz BWALKIPFDGVQPQ-UHFFFAOYSA-N -1 3 183.215 -0.533 10 0 ABAEHM CO[C@H](C)[C@@](C)(N)c1nnn[n-]1 229424452 1424305322 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C[C@@H]1CC[C@H]([C@H](N)c2nnn[n-]2)O1 149915225 1424465993 /nfs/dbraw/zinc/46/59/93/1424465993.db2.gz FYNIMKULANOVOV-PBXRRBTRSA-N -1 3 183.215 -0.233 10 0 ABAEHM COC[C@@](C)(N)c1nn[n-]n1 53199930 1424473670 /nfs/dbraw/zinc/47/36/70/1424473670.db2.gz PIUMEFJJOHAQLX-RXMQYKEDSA-N -1 3 157.177 -0.980 10 0 ABAEHM COC[C@@](C)(N)c1nnn[n-]1 53199930 1424473672 /nfs/dbraw/zinc/47/36/72/1424473672.db2.gz PIUMEFJJOHAQLX-RXMQYKEDSA-N -1 3 157.177 -0.980 10 0 ABAEHM C1C[C@@H](NCc2nn[n-]n2)CO1 70968888 1424496930 /nfs/dbraw/zinc/49/69/30/1424496930.db2.gz BJNJCLVDXHRMLJ-RXMQYKEDSA-N -1 3 169.188 -0.922 10 0 ABAEHM C1C[C@@H](NCc2nnn[n-]2)CO1 70968888 1424496934 /nfs/dbraw/zinc/49/69/34/1424496934.db2.gz BJNJCLVDXHRMLJ-RXMQYKEDSA-N -1 3 169.188 -0.922 10 0 ABAEHM C1CN2CCC1[C@@H](Nc1nn[n-]n1)C2 95127566 1424500476 /nfs/dbraw/zinc/50/04/76/1424500476.db2.gz BUPKVBSVXINFBQ-ZETCQYMHSA-N -1 3 194.242 -0.294 10 0 ABAEHM C1CN2CCC1[C@@H](Nc1nnn[n-]1)C2 95127566 1424500480 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185.183 -0.824 10 0 ABAEHM CN[C@@H](C(=O)[O-])c1cnc(OC)nc1 76171912 572952110 /nfs/dbraw/zinc/95/21/10/572952110.db2.gz OCOVAADPHSNLSA-ZCFIWIBFSA-N -1 3 197.194 -0.170 10 0 ABAEHM CN[C@H](C(=O)[O-])c1cnc(OC)nc1 76171911 572952168 /nfs/dbraw/zinc/95/21/68/572952168.db2.gz OCOVAADPHSNLSA-LURJTMIESA-N -1 3 197.194 -0.170 10 0 ABAEHM C[NH2+][C@@H](Cc1nnc[n-]1)C(=O)[O-] 76170987 572952641 /nfs/dbraw/zinc/95/26/41/572952641.db2.gz RSODKHWUGCULDQ-BYPYZUCNSA-N -1 3 170.172 -0.980 10 0 ABAEHM N[C@@H](CNCc1ccon1)C(=O)[O-] 88061395 572953173 /nfs/dbraw/zinc/95/31/73/572953173.db2.gz LJWGFMCUMVMJJL-LURJTMIESA-N -1 3 185.183 -0.824 10 0 ABAEHM CN[C@@H](C(=O)[O-])c1nccn1C 76171871 572953283 /nfs/dbraw/zinc/95/32/83/572953283.db2.gz XSJMELPMIXNXOK-RXMQYKEDSA-N -1 3 169.184 -0.235 10 0 ABAEHM C[NH2+][C@H](Cc1nnc[n-]1)C(=O)[O-] 76170989 572953294 /nfs/dbraw/zinc/95/32/94/572953294.db2.gz RSODKHWUGCULDQ-SCSAIBSYSA-N -1 3 170.172 -0.980 10 0 ABAEHM CN[C@H](C(=O)[O-])c1nccn1C 76171869 572953377 /nfs/dbraw/zinc/95/33/77/572953377.db2.gz XSJMELPMIXNXOK-YFKPBYRVSA-N -1 3 169.184 -0.235 10 0 ABAEHM CC(=O)OCCOC([O-])=NC(N)=O 238146644 572953700 /nfs/dbraw/zinc/95/37/00/572953700.db2.gz XWZREYWCNKMRPD-UHFFFAOYSA-N -1 3 190.155 -0.646 10 0 ABAEHM CC(=O)OCCOC(=O)N=C(N)[O-] 238146644 572953701 /nfs/dbraw/zinc/95/37/01/572953701.db2.gz XWZREYWCNKMRPD-UHFFFAOYSA-N -1 3 190.155 -0.646 10 0 ABAEHM CC(=O)OCCOC(=O)[N-]C(N)=O 238146644 572953704 /nfs/dbraw/zinc/95/37/04/572953704.db2.gz XWZREYWCNKMRPD-UHFFFAOYSA-N -1 3 190.155 -0.646 10 0 ABAEHM CC(=O)OCC[C@@H]1NC(=O)[N-]C1=O 238148248 572953904 /nfs/dbraw/zinc/95/39/04/572953904.db2.gz WBPJNWOWYPQGEV-YFKPBYRVSA-N -1 3 186.167 -0.852 10 0 ABAEHM N[C@@H](CCO)c1cccn1CC(=O)[O-] 713794929 572954383 /nfs/dbraw/zinc/95/43/83/572954383.db2.gz IXYSDYWHXNAAKH-ZETCQYMHSA-N -1 3 198.222 -0.045 10 0 ABAEHM CC(=O)OCC[C@H]1NC(=O)[N-]C1=O 238149113 572955755 /nfs/dbraw/zinc/95/57/55/572955755.db2.gz WBPJNWOWYPQGEV-RXMQYKEDSA-N -1 3 186.167 -0.852 10 0 ABAEHM CC(C)[C@H](C(=O)[O-])N(C=O)CN 238158433 572956734 /nfs/dbraw/zinc/95/67/34/572956734.db2.gz LMUQPPREAPMUJH-ZCFIWIBFSA-N -1 3 174.200 -0.530 10 0 ABAEHM CC(C)=C[C@@H](O)[C@@](N)(CO)C(=O)[O-] 238163112 572957911 /nfs/dbraw/zinc/95/79/11/572957911.db2.gz JTBXPBCFWPBGGT-SVRRBLITSA-N -1 3 189.211 -0.912 10 0 ABAEHM CN(CC(N)=O)CC(C)(C)C(=O)[O-] 86594773 572960546 /nfs/dbraw/zinc/96/05/46/572960546.db2.gz PFWNHLSJKJFSOJ-UHFFFAOYSA-N -1 3 188.227 -0.486 10 0 ABAEHM Cc1c(CNCC(=O)[O-])cnn1C 86551910 572961346 /nfs/dbraw/zinc/96/13/46/572961346.db2.gz GUDOZSPNOMATIR-UHFFFAOYSA-N -1 3 183.211 -0.097 10 0 ABAEHM CC(C)=C[C@H](O)[C@@](N)(CO)C(=O)[O-] 238169511 572961895 /nfs/dbraw/zinc/96/18/95/572961895.db2.gz JTBXPBCFWPBGGT-XPUUQOCRSA-N -1 3 189.211 -0.912 10 0 ABAEHM CCOC(=O)[C@@H](NC)c1nc[n-]n1 76187421 572962160 /nfs/dbraw/zinc/96/21/60/572962160.db2.gz URYUYICPKVDUOM-YFKPBYRVSA-N -1 3 184.199 -0.372 10 0 ABAEHM CC(C)=C[C@H](O)[C@](N)(CO)C(=O)[O-] 238169608 572962300 /nfs/dbraw/zinc/96/23/00/572962300.db2.gz JTBXPBCFWPBGGT-POYBYMJQSA-N -1 3 189.211 -0.912 10 0 ABAEHM CCOC(=O)[C@H](NC)c1nc[n-]n1 76187420 572963050 /nfs/dbraw/zinc/96/30/50/572963050.db2.gz URYUYICPKVDUOM-RXMQYKEDSA-N -1 3 184.199 -0.372 10 0 ABAEHM N[N-]S(=O)(=O)C(F)F 59118901 572965734 /nfs/dbraw/zinc/96/57/34/572965734.db2.gz HGQDWBRTTOCRRJ-UHFFFAOYSA-N -1 3 146.118 -0.998 10 0 ABAEHM C[C@@H](O)[C@H](N)c1cccn1CC(=O)[O-] 713801979 572965513 /nfs/dbraw/zinc/96/55/13/572965513.db2.gz XDSSNKJSDMQZAK-MUWHJKNJSA-N -1 3 198.222 -0.047 10 0 ABAEHM C[C@H](O)[C@@H](N)c1cccn1CC(=O)[O-] 713801977 572966638 /nfs/dbraw/zinc/96/66/38/572966638.db2.gz XDSSNKJSDMQZAK-IMTBSYHQSA-N -1 3 198.222 -0.047 10 0 ABAEHM C[C@H](O)[C@H](N)c1cccn1CC(=O)[O-] 713801981 572966936 /nfs/dbraw/zinc/96/69/36/572966936.db2.gz XDSSNKJSDMQZAK-RCOVLWMOSA-N -1 3 198.222 -0.047 10 0 ABAEHM C[C@@H](O)[C@@H](N)c1cccn1CC(=O)[O-] 713801975 572967212 /nfs/dbraw/zinc/96/72/12/572967212.db2.gz XDSSNKJSDMQZAK-HZGVNTEJSA-N -1 3 198.222 -0.047 10 0 ABAEHM N[C@@H](CNOC1CCCC1)C(=O)[O-] 236293482 572967933 /nfs/dbraw/zinc/96/79/33/572967933.db2.gz RFELAILNQRCDII-ZETCQYMHSA-N -1 3 188.227 -0.138 10 0 ABAEHM CCO[C@H]1NC(=O)[N-]C(=O)C1(F)F 59366492 572970157 /nfs/dbraw/zinc/97/01/57/572970157.db2.gz NGXQOJWLJSIIAU-SCSAIBSYSA-N -1 3 194.137 -0.176 10 0 ABAEHM CCO[C@@H]1NC(=O)[N-]C(=O)C1(F)F 59366493 572970389 /nfs/dbraw/zinc/97/03/89/572970389.db2.gz NGXQOJWLJSIIAU-BYPYZUCNSA-N -1 3 194.137 -0.176 10 0 ABAEHM CCC1CN(C[C@H](O)C(=O)[O-])C1 86686672 572971166 /nfs/dbraw/zinc/97/11/66/572971166.db2.gz VDNKZQIBODQGFB-ZETCQYMHSA-N -1 3 173.212 -0.226 10 0 ABAEHM O=C(Nc1c[nH]c(=O)[n-]c1=O)C1CC1 59418661 572971897 /nfs/dbraw/zinc/97/18/97/572971897.db2.gz RBOCSXBGYMWFMH-UHFFFAOYSA-N -1 3 195.178 -0.588 10 0 ABAEHM CCC1CN(C[C@@H](O)C(=O)[O-])C1 86686674 572972041 /nfs/dbraw/zinc/97/20/41/572972041.db2.gz VDNKZQIBODQGFB-SSDOTTSWSA-N -1 3 173.212 -0.226 10 0 ABAEHM CC(C)[C@H](NC(=O)CN)C(=O)[S-] 238192275 572977203 /nfs/dbraw/zinc/97/72/03/572977203.db2.gz JKXQINORDFXWNM-LURJTMIESA-N -1 3 190.268 -0.458 10 0 ABAEHM O=c1cc(Cn2ccnc2)[nH]c(=O)[n-]1 59601935 572977580 /nfs/dbraw/zinc/97/75/80/572977580.db2.gz JKYHVIUVWIEWJZ-UHFFFAOYSA-N -1 3 192.178 -0.692 10 0 ABAEHM CC[C@@H](COC)N1CC(=O)[N-]C1=O 86787692 572979948 /nfs/dbraw/zinc/97/99/48/572979948.db2.gz UIGICZHUPIXEKR-LURJTMIESA-N -1 3 186.211 -0.037 10 0 ABAEHM C[C@H](NCc1ccc([O-])cn1)C(N)=O 86790854 572980201 /nfs/dbraw/zinc/98/02/01/572980201.db2.gz AIWPYYWVGDKOGJ-LURJTMIESA-N -1 3 195.222 -0.249 10 0 ABAEHM O=C([O-])C[NH2+]Cc1ccc([O-])cn1 86790626 572980388 /nfs/dbraw/zinc/98/03/88/572980388.db2.gz CCHRDWQTKHUZBF-UHFFFAOYSA-N -1 3 182.179 -0.039 10 0 ABAEHM [O-]c1ccc(CNC(CO)CO)nc1 86792039 572980552 /nfs/dbraw/zinc/98/05/52/572980552.db2.gz LOLIPHMSRBWGFP-UHFFFAOYSA-N -1 3 198.222 -0.770 10 0 ABAEHM CCOC[C@H](C)N1CC(=O)[N-]C1=O 86787067 572980571 /nfs/dbraw/zinc/98/05/71/572980571.db2.gz HLDAUUBVQMBXCG-LURJTMIESA-N -1 3 186.211 -0.037 10 0 ABAEHM COCC[C@@H](C)N1CC(=O)[N-]C1=O 86787924 572980664 /nfs/dbraw/zinc/98/06/64/572980664.db2.gz GKIRTRGLVXXJDD-ZCFIWIBFSA-N -1 3 186.211 -0.037 10 0 ABAEHM [O-]c1ccc(CNC[C@@H](O)CO)nc1 86792080 572980702 /nfs/dbraw/zinc/98/07/02/572980702.db2.gz WHICNKKXKLAMGX-SECBINFHSA-N -1 3 198.222 -0.770 10 0 ABAEHM COC[C@@H](C)CN1CC(=O)[N-]C1=O 86787285 572980823 /nfs/dbraw/zinc/98/08/23/572980823.db2.gz LRPJYXBTEHMMFI-LURJTMIESA-N -1 3 186.211 -0.179 10 0 ABAEHM COC[C@H](C)CN1CC(=O)[N-]C1=O 86787287 572981015 /nfs/dbraw/zinc/98/10/15/572981015.db2.gz LRPJYXBTEHMMFI-ZCFIWIBFSA-N -1 3 186.211 -0.179 10 0 ABAEHM [O-]c1ccc(CNC[C@H](O)CO)nc1 86792078 572981057 /nfs/dbraw/zinc/98/10/57/572981057.db2.gz WHICNKKXKLAMGX-VIFPVBQESA-N -1 3 198.222 -0.770 10 0 ABAEHM COCCCCN1CC(=O)[N-]C1=O 86786997 572981123 /nfs/dbraw/zinc/98/11/23/572981123.db2.gz SQXRPQUWLZRLMU-UHFFFAOYSA-N -1 3 186.211 -0.035 10 0 ABAEHM CCOC[C@@H](C)N1CC(=O)[N-]C1=O 86787064 572981141 /nfs/dbraw/zinc/98/11/41/572981141.db2.gz HLDAUUBVQMBXCG-ZCFIWIBFSA-N -1 3 186.211 -0.037 10 0 ABAEHM NC(=O)CCNCc1ccc([O-])cn1 86790870 572981285 /nfs/dbraw/zinc/98/12/85/572981285.db2.gz PIRABZNWFURNHB-UHFFFAOYSA-N -1 3 195.222 -0.248 10 0 ABAEHM COCC[C@H](C)N1CC(=O)[N-]C1=O 86787923 572981329 /nfs/dbraw/zinc/98/13/29/572981329.db2.gz GKIRTRGLVXXJDD-LURJTMIESA-N -1 3 186.211 -0.037 10 0 ABAEHM C[C@@H](NCc1ccc([O-])cn1)C(N)=O 86790858 572981353 /nfs/dbraw/zinc/98/13/53/572981353.db2.gz AIWPYYWVGDKOGJ-ZCFIWIBFSA-N -1 3 195.222 -0.249 10 0 ABAEHM CNC(=O)CNCc1ccc([O-])cn1 86790713 572981358 /nfs/dbraw/zinc/98/13/58/572981358.db2.gz GXLMGNJBNOOQSV-UHFFFAOYSA-N -1 3 195.222 -0.377 10 0 ABAEHM CC[C@H](COC)N1CC(=O)[N-]C1=O 86787695 572981473 /nfs/dbraw/zinc/98/14/73/572981473.db2.gz UIGICZHUPIXEKR-ZCFIWIBFSA-N -1 3 186.211 -0.037 10 0 ABAEHM CC[C@](C)(N)C(=O)N(C)CC(=O)[O-] 86804152 572981803 /nfs/dbraw/zinc/98/18/03/572981803.db2.gz INXHFUFFPZLRDU-QMMMGPOBSA-N -1 3 188.227 -0.343 10 0 ABAEHM CC[C@](C)(N)C(=O)NCCC(=O)[O-] 86804138 572981942 /nfs/dbraw/zinc/98/19/42/572981942.db2.gz XTJGQQBMEWLSIB-QMMMGPOBSA-N -1 3 188.227 -0.295 10 0 ABAEHM CC[C@](C)(N)C(=O)N[C@H](C)C(=O)[O-] 86804263 572982077 /nfs/dbraw/zinc/98/20/77/572982077.db2.gz DGMMSBAFLIDJPD-XRGYYRRGSA-N -1 3 188.227 -0.297 10 0 ABAEHM CC[C@@](C)(N)C(=O)N[C@@H](C)C(=O)[O-] 86804260 572982206 /nfs/dbraw/zinc/98/22/06/572982206.db2.gz DGMMSBAFLIDJPD-YLWLKBPMSA-N -1 3 188.227 -0.297 10 0 ABAEHM CC[C@@](C)(N)C(=O)NCC(=O)[O-] 86804120 572983361 /nfs/dbraw/zinc/98/33/61/572983361.db2.gz DYUJVGBFVXKBDO-SSDOTTSWSA-N -1 3 174.200 -0.685 10 0 ABAEHM CC[C@@](C)(N)C(=O)NCCC(=O)[O-] 86804141 572982469 /nfs/dbraw/zinc/98/24/69/572982469.db2.gz XTJGQQBMEWLSIB-MRVPVSSYSA-N -1 3 188.227 -0.295 10 0 ABAEHM CC[C@@](C)(N)C(=O)N[C@H](C)C(=O)[O-] 86804264 572982491 /nfs/dbraw/zinc/98/24/91/572982491.db2.gz DGMMSBAFLIDJPD-SVGQVSJJSA-N -1 3 188.227 -0.297 10 0 ABAEHM CC[C@](C)(N)C(=O)N[C@@H](C)C(=O)[O-] 86804257 572982580 /nfs/dbraw/zinc/98/25/80/572982580.db2.gz DGMMSBAFLIDJPD-XNCJUZBTSA-N -1 3 188.227 -0.297 10 0 ABAEHM CC[C@@](C)(N)C(=O)N(C)CC(=O)[O-] 86804154 572983544 /nfs/dbraw/zinc/98/35/44/572983544.db2.gz INXHFUFFPZLRDU-MRVPVSSYSA-N -1 3 188.227 -0.343 10 0 ABAEHM CCC(N)(CC)C(=O)NCC(=O)[O-] 86813291 572983913 /nfs/dbraw/zinc/98/39/13/572983913.db2.gz LSWHTQUXVATMHS-UHFFFAOYSA-N -1 3 188.227 -0.295 10 0 ABAEHM N[C@H](CNOC1CCCC1)C(=O)[O-] 236310824 572985613 /nfs/dbraw/zinc/98/56/13/572985613.db2.gz RFELAILNQRCDII-SSDOTTSWSA-N -1 3 188.227 -0.138 10 0 ABAEHM C[C@H](OC[C@H](O)CN(C)C)C(=O)[O-] 308215900 572992422 /nfs/dbraw/zinc/99/24/22/572992422.db2.gz ZRPZRASOQROGNP-NKWVEPMBSA-N -1 3 191.227 -0.601 10 0 ABAEHM C[C@@H](OC[C@@H](O)CN(C)C)C(=O)[O-] 308215902 572992567 /nfs/dbraw/zinc/99/25/67/572992567.db2.gz ZRPZRASOQROGNP-RQJHMYQMSA-N -1 3 191.227 -0.601 10 0 ABAEHM CCOc1nc(NC)nc(=NN)[n-]1 87904334 572993533 /nfs/dbraw/zinc/99/35/33/572993533.db2.gz MHWOCLNWOJINCI-UHFFFAOYSA-N -1 3 184.203 -0.402 10 0 ABAEHM CCOc1nc(NC)[n-]c(=NN)n1 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