smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(C)C[N@H+]1CC[C@H](O)CC12CCC2 335612308 533512220 /nfs/dbraw/zinc/51/22/20/533512220.db2.gz RFZPZKCINBSOMB-NSHDSACASA-N 1 1 195.306 1.942 10 30 ADEEMO C=C(CC)C[NH+]1CCN(C(C)=O)CC1 334148423 534390598 /nfs/dbraw/zinc/39/05/98/534390598.db2.gz GBMZBJZKLYAGJH-UHFFFAOYSA-N 1 1 196.294 1.117 10 30 ADEEMO CC#CC[N@H+]1CCC2(CCOCC2)C1 336553252 534709099 /nfs/dbraw/zinc/70/90/99/534709099.db2.gz HPXAGERTLRMVPT-UHFFFAOYSA-N 1 1 193.290 1.512 10 30 ADEEMO CC1(C)[C@H](O)CC[N@H+]1CCCC#N 306569486 535085779 /nfs/dbraw/zinc/08/57/79/535085779.db2.gz LBDJGWKCNBNVEF-SECBINFHSA-N 1 1 182.267 1.135 10 30 ADEEMO C=CC[N@H+](C)C[C@@](C)(O)CC 17667923 537776833 /nfs/dbraw/zinc/77/68/33/537776833.db2.gz UMDHGMXRXMABME-VIFPVBQESA-N 1 1 157.257 1.265 10 30 ADEEMO C=CC[N@H+](C)C[C@](C)(O)CC 17667921 537779321 /nfs/dbraw/zinc/77/93/21/537779321.db2.gz UMDHGMXRXMABME-SECBINFHSA-N 1 1 157.257 1.265 10 30 ADEEMO N#C[C@H]1CCC[N@H+]2CCCC[C@H]12 38282253 537831448 /nfs/dbraw/zinc/83/14/48/537831448.db2.gz NXSJJHAEJAQDGI-NXEZZACHSA-N 1 1 164.252 1.774 10 30 ADEEMO C=C1CCN(CC(F)(F)C[NH2+]C)C1 685955943 537850496 /nfs/dbraw/zinc/85/04/96/537850496.db2.gz UYUZSSHMDYHNHZ-UHFFFAOYSA-N 1 1 190.237 1.103 10 30 ADEEMO C=CCOCC(F)(F)C[NH2+]C1CC1 685955662 537851361 /nfs/dbraw/zinc/85/13/61/537851361.db2.gz NIVKMLKBQYTWPZ-UHFFFAOYSA-N 1 1 191.221 1.576 10 30 ADEEMO C=C1CCCN(CC(F)(F)C[NH3+])C1 685956352 537853920 /nfs/dbraw/zinc/85/39/20/537853920.db2.gz CLUFLAWYPOZJTF-UHFFFAOYSA-N 1 1 190.237 1.232 10 30 ADEEMO C=C[C@H](C)OCC(F)(F)C[NH2+]CC 685957642 537854891 /nfs/dbraw/zinc/85/48/91/537854891.db2.gz WLOTZOGSGXEFCZ-QMMMGPOBSA-N 1 1 193.237 1.822 10 30 ADEEMO C=C[C@@H](C)OCC(F)(F)C[NH2+]CC 685957641 537857225 /nfs/dbraw/zinc/85/72/25/537857225.db2.gz WLOTZOGSGXEFCZ-MRVPVSSYSA-N 1 1 193.237 1.822 10 30 ADEEMO C=C(C)CCOCC(F)(F)C[NH2+]C 685956502 537855137 /nfs/dbraw/zinc/85/51/37/537855137.db2.gz DXBXLAARTIGEQX-UHFFFAOYSA-N 1 1 193.237 1.824 10 30 ADEEMO C=CCN(C)CC(F)(F)C[NH2+]CC 685956982 537855314 /nfs/dbraw/zinc/85/53/14/537855314.db2.gz ONDFMXNMZRBLOR-UHFFFAOYSA-N 1 1 192.253 1.349 10 30 ADEEMO C=CCOCC(F)(F)C[NH2+]C 685956821 537855411 /nfs/dbraw/zinc/85/54/11/537855411.db2.gz KPQRRMMGDNPFMG-UHFFFAOYSA-N 1 1 165.183 1.044 10 30 ADEEMO C=CCCCOCC(F)(F)C[NH2+]C 685957472 537855492 /nfs/dbraw/zinc/85/54/92/537855492.db2.gz YWHKTKRELRPLOR-UHFFFAOYSA-N 1 1 193.237 1.824 10 30 ADEEMO C=CCCOCC(F)(F)C[NH2+]CC 685956418 537855512 /nfs/dbraw/zinc/85/55/12/537855512.db2.gz AVDBXEXRQBRWQM-UHFFFAOYSA-N 1 1 193.237 1.824 10 30 ADEEMO C=CCOCC(F)(F)C[NH2+]CC 685957684 537855829 /nfs/dbraw/zinc/85/58/29/537855829.db2.gz XYUGWVPBTADZNW-UHFFFAOYSA-N 1 1 179.210 1.434 10 30 ADEEMO C=C(C)CN(C)CC(F)(F)C[NH2+]C 685957691 537856630 /nfs/dbraw/zinc/85/66/30/537856630.db2.gz YBTMQYPUKMSDQR-UHFFFAOYSA-N 1 1 192.253 1.349 10 30 ADEEMO C=CCCOCC(F)(F)C[NH2+]C 685956185 537856704 /nfs/dbraw/zinc/85/67/04/537856704.db2.gz AAMHUAQEKXCSQF-UHFFFAOYSA-N 1 1 179.210 1.434 10 30 ADEEMO C=CCN(CC)CC(F)(F)C[NH2+]C 685956859 537856919 /nfs/dbraw/zinc/85/69/19/537856919.db2.gz HNRGSUGUJHVIBY-UHFFFAOYSA-N 1 1 192.253 1.349 10 30 ADEEMO C=CCOCC(F)(F)C[NH2+]C(C)C 685956472 537857141 /nfs/dbraw/zinc/85/71/41/537857141.db2.gz UTBFIJRKTNOQHX-UHFFFAOYSA-N 1 1 193.237 1.822 10 30 ADEEMO C=C[C@H](C)OCC(F)(F)C[NH2+]C 685957149 537857395 /nfs/dbraw/zinc/85/73/95/537857395.db2.gz RXGLFOJOMURWCV-ZETCQYMHSA-N 1 1 179.210 1.432 10 30 ADEEMO C=CCCN(C)CC(F)(F)C[NH2+]C 685957693 537857416 /nfs/dbraw/zinc/85/74/16/537857416.db2.gz YCVLNLMOFPYEJR-UHFFFAOYSA-N 1 1 192.253 1.349 10 30 ADEEMO C=C[C@@H](C)OCC(F)(F)C[NH2+]C 685957148 537857865 /nfs/dbraw/zinc/85/78/65/537857865.db2.gz RXGLFOJOMURWCV-SSDOTTSWSA-N 1 1 179.210 1.432 10 30 ADEEMO C=CCOCC(F)(F)C[NH2+]CCC 685958078 537859881 /nfs/dbraw/zinc/85/98/81/537859881.db2.gz NVKTWZMPDAMTKF-UHFFFAOYSA-N 1 1 193.237 1.824 10 30 ADEEMO C=C1CN(CC(F)(F)C[NH2+]CC)C1 685958163 537861670 /nfs/dbraw/zinc/86/16/70/537861670.db2.gz RFXDAMFUVGYDPN-UHFFFAOYSA-N 1 1 190.237 1.103 10 30 ADEEMO CCc1ncc(CC#N)[nH]1 82127136 537878728 /nfs/dbraw/zinc/87/87/28/537878728.db2.gz XKMDOIHOSWIWKG-UHFFFAOYSA-N 1 1 135.170 1.038 10 30 ADEEMO Cc1[nH]c(CS)c(C)[nH+]1 725243876 537894166 /nfs/dbraw/zinc/89/41/66/537894166.db2.gz BKBAPZZSFTVJCA-UHFFFAOYSA-N 1 1 142.227 1.456 10 30 ADEEMO C/C=C1/C[N@H+](CC2CC2)CCC1=O 725246601 537896005 /nfs/dbraw/zinc/89/60/05/537896005.db2.gz YWCKZQYKPNSOAU-SGAXSIHGSA-N 1 1 179.263 1.618 10 30 ADEEMO C/C=C1/C[N@@H+](CC2CC2)CCC1=O 725246601 537896007 /nfs/dbraw/zinc/89/60/07/537896007.db2.gz YWCKZQYKPNSOAU-SGAXSIHGSA-N 1 1 179.263 1.618 10 30 ADEEMO C/C=C1\C[N@@H+](CCC)CCC1=O 725245612 537897045 /nfs/dbraw/zinc/89/70/45/537897045.db2.gz KZPQEBZUIDMUIV-RUDMXATFSA-N 1 1 167.252 1.618 10 30 ADEEMO C/C=C1\C[N@H+](CCC)CCC1=O 725245612 537897038 /nfs/dbraw/zinc/89/70/38/537897038.db2.gz KZPQEBZUIDMUIV-RUDMXATFSA-N 1 1 167.252 1.618 10 30 ADEEMO C/C=C1\C[N@@H+](C(C)C)CCC1=O 725245384 537897362 /nfs/dbraw/zinc/89/73/62/537897362.db2.gz HRKLLCAGSCTKCN-RUDMXATFSA-N 1 1 167.252 1.616 10 30 ADEEMO C/C=C1\C[N@H+](C(C)C)CCC1=O 725245384 537897365 /nfs/dbraw/zinc/89/73/65/537897365.db2.gz HRKLLCAGSCTKCN-RUDMXATFSA-N 1 1 167.252 1.616 10 30 ADEEMO CC(C)(C#N)CCn1c[nH+]c(N)c1 725248565 537901207 /nfs/dbraw/zinc/90/12/07/537901207.db2.gz WKXRYXQAQFSMQK-UHFFFAOYSA-N 1 1 178.239 1.405 10 30 ADEEMO N#CCCCCn1c[nH+]c(N)c1 725248809 537904237 /nfs/dbraw/zinc/90/42/37/537904237.db2.gz UREJTEALTMYQSI-UHFFFAOYSA-N 1 1 164.212 1.159 10 30 ADEEMO CC(C)(C#N)CCCn1c[nH+]c(N)c1 725248912 537905745 /nfs/dbraw/zinc/90/57/45/537905745.db2.gz YTXGVASCKAGNJM-UHFFFAOYSA-N 1 1 192.266 1.795 10 30 ADEEMO C[N@@H+]1CCc2onc(CS)c2C1 725252812 537913928 /nfs/dbraw/zinc/91/39/28/537913928.db2.gz QRXTWMHIYQEWRB-UHFFFAOYSA-N 1 1 184.264 1.092 10 30 ADEEMO C[N@H+]1CCc2onc(CS)c2C1 725252812 537913934 /nfs/dbraw/zinc/91/39/34/537913934.db2.gz QRXTWMHIYQEWRB-UHFFFAOYSA-N 1 1 184.264 1.092 10 30 ADEEMO CC[N@@H+]1CCc2onc(CS)c2C1 725252058 537914275 /nfs/dbraw/zinc/91/42/75/537914275.db2.gz CTQDISPMPFLEIM-UHFFFAOYSA-N 1 1 198.291 1.482 10 30 ADEEMO CC[N@H+]1CCc2onc(CS)c2C1 725252058 537914279 /nfs/dbraw/zinc/91/42/79/537914279.db2.gz CTQDISPMPFLEIM-UHFFFAOYSA-N 1 1 198.291 1.482 10 30 ADEEMO C=CCC[N@@H+]1CC[C@H]([C@@H](C)O)C1 156866464 538012402 /nfs/dbraw/zinc/01/24/02/538012402.db2.gz HDPYTIBDQKSDEW-ZJUUUORDSA-N 1 1 169.268 1.265 10 30 ADEEMO C=CCC[N@@H+]1CC[C@H]([C@H](C)O)C1 156866351 538012581 /nfs/dbraw/zinc/01/25/81/538012581.db2.gz HDPYTIBDQKSDEW-UWVGGRQHSA-N 1 1 169.268 1.265 10 30 ADEEMO C=CCC[N@@H+]1CC[C@@H]([C@H](C)O)C1 156866115 538015499 /nfs/dbraw/zinc/01/54/99/538015499.db2.gz HDPYTIBDQKSDEW-VHSXEESVSA-N 1 1 169.268 1.265 10 30 ADEEMO C=CCC[N@@H+]1CC[C@@H]([C@@H](C)O)C1 156866241 538015725 /nfs/dbraw/zinc/01/57/25/538015725.db2.gz HDPYTIBDQKSDEW-NXEZZACHSA-N 1 1 169.268 1.265 10 30 ADEEMO C=CCCC[N@H+](C)[C@@H](C)CO 159130694 538028406 /nfs/dbraw/zinc/02/84/06/538028406.db2.gz POCJXHKNHWGLEJ-VIFPVBQESA-N 1 1 157.257 1.265 10 30 ADEEMO C=C(CC)C[N@@H+](C)[C@@H](C)CO 159220956 538031152 /nfs/dbraw/zinc/03/11/52/538031152.db2.gz UHYRBKSUPSRJIM-VIFPVBQESA-N 1 1 157.257 1.265 10 30 ADEEMO C=CC[N@H+](CCO)Cc1ccc(C)o1 161288057 538059147 /nfs/dbraw/zinc/05/91/47/538059147.db2.gz QHCUASVBRNUQBV-UHFFFAOYSA-N 1 1 195.262 1.568 10 30 ADEEMO C=C(CC)C[N@@H+](C)CC[C@H](C)O 162053962 538070603 /nfs/dbraw/zinc/07/06/03/538070603.db2.gz BRQLQHBAPNQACF-JTQLQIEISA-N 1 1 171.284 1.655 10 30 ADEEMO C=C(CC)C[N@@H+](C)CC[C@@H](C)O 162053822 538071375 /nfs/dbraw/zinc/07/13/75/538071375.db2.gz BRQLQHBAPNQACF-SNVBAGLBSA-N 1 1 171.284 1.655 10 30 ADEEMO C=CC[N@H+](C)CC1(O)CCCC1 162608216 538075328 /nfs/dbraw/zinc/07/53/28/538075328.db2.gz BZMMGDVUBPYZDN-UHFFFAOYSA-N 1 1 169.268 1.409 10 30 ADEEMO C=C(CC)C[N@H+]1CC[C@H](CCO)C1 163143155 538081098 /nfs/dbraw/zinc/08/10/98/538081098.db2.gz GQLWYDXPAMKXMO-LLVKDONJSA-N 1 1 183.295 1.657 10 30 ADEEMO C=C(CC)C[N@H+]1CC[C@@H](CCO)C1 163143272 538081742 /nfs/dbraw/zinc/08/17/42/538081742.db2.gz GQLWYDXPAMKXMO-NSHDSACASA-N 1 1 183.295 1.657 10 30 ADEEMO CC#CCC[N@H+]1CC[C@@H](CCO)C1 163715473 538135394 /nfs/dbraw/zinc/13/53/94/538135394.db2.gz HRTMVRNVFDXFHC-NSHDSACASA-N 1 1 181.279 1.104 10 30 ADEEMO CC#CCC[N@H+]1CC[C@H](CCO)C1 163715360 538138334 /nfs/dbraw/zinc/13/83/34/538138334.db2.gz HRTMVRNVFDXFHC-LLVKDONJSA-N 1 1 181.279 1.104 10 30 ADEEMO C=C(C)CC[N@H+]1CC[C@H](CCO)C1 164525929 538145047 /nfs/dbraw/zinc/14/50/47/538145047.db2.gz IAEWTBBWCJXGAE-LLVKDONJSA-N 1 1 183.295 1.657 10 30 ADEEMO C=C(C)CC[N@H+]1CC[C@@H](CCO)C1 164526057 538145086 /nfs/dbraw/zinc/14/50/86/538145086.db2.gz IAEWTBBWCJXGAE-NSHDSACASA-N 1 1 183.295 1.657 10 30 ADEEMO CC#CCC[N@@H+](CC)CCCO 164990052 538151568 /nfs/dbraw/zinc/15/15/68/538151568.db2.gz GREGRKQLARPOTA-UHFFFAOYSA-N 1 1 169.268 1.104 10 30 ADEEMO C=CC[NH2+][C@@H](C)c1ncc(C)o1 230644756 538212545 /nfs/dbraw/zinc/21/25/45/538212545.db2.gz QOENZFRPTOUTJR-QMMMGPOBSA-N 1 1 166.224 1.820 10 30 ADEEMO C=CC[NH2+][C@H](C)c1ncc(C)o1 230644762 538212893 /nfs/dbraw/zinc/21/28/93/538212893.db2.gz QOENZFRPTOUTJR-MRVPVSSYSA-N 1 1 166.224 1.820 10 30 ADEEMO N#C[C@@H]1CCC[N@H+]2CCCC[C@H]12 250849650 538258257 /nfs/dbraw/zinc/25/82/57/538258257.db2.gz NXSJJHAEJAQDGI-VHSXEESVSA-N 1 1 164.252 1.774 10 30 ADEEMO CCOC(=O)C#C[C@H]1CCCC[N@@H+]1C 260186224 538293668 /nfs/dbraw/zinc/29/36/68/538293668.db2.gz HLCYUTSVBYPZKJ-SNVBAGLBSA-N 1 1 195.262 1.037 10 30 ADEEMO CCOC(=O)C#C[C@H]1CCCC[N@H+]1C 260186224 538293672 /nfs/dbraw/zinc/29/36/72/538293672.db2.gz HLCYUTSVBYPZKJ-SNVBAGLBSA-N 1 1 195.262 1.037 10 30 ADEEMO CCOC(=O)C#C[C@@H]1CCCC[N@@H+]1C 260186221 538293832 /nfs/dbraw/zinc/29/38/32/538293832.db2.gz HLCYUTSVBYPZKJ-JTQLQIEISA-N 1 1 195.262 1.037 10 30 ADEEMO CCOC(=O)C#C[C@@H]1CCCC[N@H+]1C 260186221 538293836 /nfs/dbraw/zinc/29/38/36/538293836.db2.gz HLCYUTSVBYPZKJ-JTQLQIEISA-N 1 1 195.262 1.037 10 30 ADEEMO CC[C@@H]1CC[N@H+]1CC#CCOC 306149136 538296908 /nfs/dbraw/zinc/29/69/08/538296908.db2.gz DBJQHJQNGOJSIM-SNVBAGLBSA-N 1 1 167.252 1.121 10 30 ADEEMO CC[C@H]1CC[N@H+]1CC#CCOC 306149118 538298094 /nfs/dbraw/zinc/29/80/94/538298094.db2.gz DBJQHJQNGOJSIM-JTQLQIEISA-N 1 1 167.252 1.121 10 30 ADEEMO C=CC[NH+]1CC2(C1)CC(F)(F)C2 306554129 538307197 /nfs/dbraw/zinc/30/71/97/538307197.db2.gz KAYCYYZGXKGQIT-UHFFFAOYSA-N 1 1 173.206 1.904 10 30 ADEEMO C=CCCN(C)CC(F)(F)C[NH3+] 308107049 538321053 /nfs/dbraw/zinc/32/10/53/538321053.db2.gz IKMYPLCRZBLKFW-UHFFFAOYSA-N 1 1 178.226 1.088 10 30 ADEEMO C=CCN(CC=C)CC(F)(F)C[NH3+] 308325467 538321993 /nfs/dbraw/zinc/32/19/93/538321993.db2.gz FPFMEHIUHOTFBW-UHFFFAOYSA-N 1 1 190.237 1.254 10 30 ADEEMO C=CCCCN(C)CC(F)(F)C[NH3+] 308323284 538322009 /nfs/dbraw/zinc/32/20/09/538322009.db2.gz CWAMRYULOKKDFV-UHFFFAOYSA-N 1 1 192.253 1.478 10 30 ADEEMO C=CCN(CC(F)(F)C[NH3+])C(C)C 308335712 538322053 /nfs/dbraw/zinc/32/20/53/538322053.db2.gz NXOCTUIPWOQRCC-UHFFFAOYSA-N 1 1 192.253 1.477 10 30 ADEEMO C=CCCC[N@@H+]1C[C@@H](F)C[C@H]1CO 378734246 538333713 /nfs/dbraw/zinc/33/37/13/538333713.db2.gz MFOWTKAOYWTIQK-UWVGGRQHSA-N 1 1 187.258 1.357 10 30 ADEEMO C=CC[N@H+](C)CC(O)(CC)CC 379311099 538337663 /nfs/dbraw/zinc/33/76/63/538337663.db2.gz GMDZHLHQHPMKTP-UHFFFAOYSA-N 1 1 171.284 1.655 10 30 ADEEMO C=C(CC)C[N@@H+](C)C1(CO)CC1 379311046 538338977 /nfs/dbraw/zinc/33/89/77/538338977.db2.gz FXUKYAGFYIRMMT-UHFFFAOYSA-N 1 1 169.268 1.409 10 30 ADEEMO C=C(CC)C[N@@H+](C)CCCCO 379315878 538342681 /nfs/dbraw/zinc/34/26/81/538342681.db2.gz VKBATHFYEMAUEF-UHFFFAOYSA-N 1 1 171.284 1.657 10 30 ADEEMO CCC#C[C@@H](C)[N@@H+](C)CCCO 379316060 538340144 /nfs/dbraw/zinc/34/01/44/538340144.db2.gz WOCLLWMZDNPMDF-SNVBAGLBSA-N 1 1 169.268 1.103 10 30 ADEEMO C=C(C)C[N@H+](C)[C@@H](C)C(C)(C)O 379315084 538340613 /nfs/dbraw/zinc/34/06/13/538340613.db2.gz AGFVEOOUXUUJRQ-VIFPVBQESA-N 1 1 171.284 1.654 10 30 ADEEMO C=C(C)C[N@H+](CCO)[C@@H](C)CC 379317675 538341267 /nfs/dbraw/zinc/34/12/67/538341267.db2.gz GYSMBAUIZCWXAN-JTQLQIEISA-N 1 1 171.284 1.655 10 30 ADEEMO C=CCC[N@H+](C)C[C@](C)(O)CC 379315950 538341366 /nfs/dbraw/zinc/34/13/66/538341366.db2.gz VVCVRUJXWXITMB-SNVBAGLBSA-N 1 1 171.284 1.655 10 30 ADEEMO C=C(C)C[N@H+](C)[C@H](C)C(C)(C)O 379315082 538341379 /nfs/dbraw/zinc/34/13/79/538341379.db2.gz AGFVEOOUXUUJRQ-SECBINFHSA-N 1 1 171.284 1.654 10 30 ADEEMO CCC#C[C@H](C)[N@@H+](C)CCCO 379316059 538342711 /nfs/dbraw/zinc/34/27/11/538342711.db2.gz WOCLLWMZDNPMDF-JTQLQIEISA-N 1 1 169.268 1.103 10 30 ADEEMO C=CCC[N@H+](C)C[C@@](C)(O)CC 379315949 538342745 /nfs/dbraw/zinc/34/27/45/538342745.db2.gz VVCVRUJXWXITMB-JTQLQIEISA-N 1 1 171.284 1.655 10 30 ADEEMO C=C(C)C[N@H+](CCO)[C@H](C)CC 379317676 538342761 /nfs/dbraw/zinc/34/27/61/538342761.db2.gz GYSMBAUIZCWXAN-SNVBAGLBSA-N 1 1 171.284 1.655 10 30 ADEEMO C=C(C)C[N@H+](C)[C@H]1C[C@@H](OC)C1 379325056 538344212 /nfs/dbraw/zinc/34/42/12/538344212.db2.gz AQUYALKSLZLZPV-AOOOYVTPSA-N 1 1 169.268 1.672 10 30 ADEEMO C=CC[N@H+](CC(C)(C)O)C1CC1 379322279 538344437 /nfs/dbraw/zinc/34/44/37/538344437.db2.gz HZMWWBAQWUZPCX-UHFFFAOYSA-N 1 1 169.268 1.408 10 30 ADEEMO C=CCN(C)CC[N@@H+](C)CC=C 379325572 538347119 /nfs/dbraw/zinc/34/71/19/538347119.db2.gz CXLMCYDOQQSODF-UHFFFAOYSA-N 1 1 168.284 1.222 10 30 ADEEMO C=CCCC[NH2+]Cc1ccn[nH]1 379325609 538348360 /nfs/dbraw/zinc/34/83/60/538348360.db2.gz DBPWMNQWDLSEKN-UHFFFAOYSA-N 1 1 165.240 1.466 10 30 ADEEMO C=C(C)CC[N@H+](C)CCOCC 379327769 538348535 /nfs/dbraw/zinc/34/85/35/538348535.db2.gz MIBZYXAGWDOPTQ-UHFFFAOYSA-N 1 1 171.284 1.921 10 30 ADEEMO C=CCC[N@H+](C)C[C@@H](C)COC 379331716 538349797 /nfs/dbraw/zinc/34/97/97/538349797.db2.gz FMKAECGZXOTZCK-SNVBAGLBSA-N 1 1 171.284 1.777 10 30 ADEEMO C=C(C)C[N@H+]1CCC[C@H]1CCO 379331982 538349955 /nfs/dbraw/zinc/34/99/55/538349955.db2.gz GAGVCMOVFYSNEC-JTQLQIEISA-N 1 1 169.268 1.409 10 30 ADEEMO C=CCC[N@H+](C)C[C@H](C)COC 379331715 538350661 /nfs/dbraw/zinc/35/06/61/538350661.db2.gz FMKAECGZXOTZCK-JTQLQIEISA-N 1 1 171.284 1.777 10 30 ADEEMO C=CC[N@H+](C)Cc1cccn1C 379330344 538350840 /nfs/dbraw/zinc/35/08/40/538350840.db2.gz ANXZTVGOFBKDPP-UHFFFAOYSA-N 1 1 164.252 1.643 10 30 ADEEMO C=C(C)C[N@H+](C)[C@@H](CO)C(=C)C 379333039 538351094 /nfs/dbraw/zinc/35/10/94/538351094.db2.gz IXOSUFAHBYIFHW-JTQLQIEISA-N 1 1 169.268 1.431 10 30 ADEEMO C=CC[N@H+](C)Cc1ccncc1 379331294 538351533 /nfs/dbraw/zinc/35/15/33/538351533.db2.gz DCZQOJFZGHGYFG-UHFFFAOYSA-N 1 1 162.236 1.699 10 30 ADEEMO C=C(C)C[N@H+]1CCC[C@@H]1CCO 379331983 538351583 /nfs/dbraw/zinc/35/15/83/538351583.db2.gz GAGVCMOVFYSNEC-SNVBAGLBSA-N 1 1 169.268 1.409 10 30 ADEEMO C=C(C)C[N@H+](C)[C@H](CO)C(=C)C 379333041 538352608 /nfs/dbraw/zinc/35/26/08/538352608.db2.gz IXOSUFAHBYIFHW-SNVBAGLBSA-N 1 1 169.268 1.431 10 30 ADEEMO C=C(C)CC[N@H+](C)CCCOC 379335789 538354019 /nfs/dbraw/zinc/35/40/19/538354019.db2.gz WCMCRDNTNDDKLJ-UHFFFAOYSA-N 1 1 171.284 1.921 10 30 ADEEMO C=CC[N@@H+](C)Cc1cnccn1 379333412 538354173 /nfs/dbraw/zinc/35/41/73/538354173.db2.gz KIKPYHUULQWHNH-UHFFFAOYSA-N 1 1 163.224 1.094 10 30 ADEEMO C=CC[N@H+](C)Cc1cnccn1 379333412 538354177 /nfs/dbraw/zinc/35/41/77/538354177.db2.gz KIKPYHUULQWHNH-UHFFFAOYSA-N 1 1 163.224 1.094 10 30 ADEEMO C=C(C)CC[N@H+](C)C1(CO)CC1 379337821 538355098 /nfs/dbraw/zinc/35/50/98/538355098.db2.gz ZIVFQKVPEGAZJW-UHFFFAOYSA-N 1 1 169.268 1.409 10 30 ADEEMO C=CCC[N@H+](C)[C@H]1C[C@@H](OC)C1 379335085 538355178 /nfs/dbraw/zinc/35/51/78/538355178.db2.gz RHJQUSXEGKITOX-AOOOYVTPSA-N 1 1 169.268 1.672 10 30 ADEEMO C=CC[N@H+](C)CCOCCOCC 379361638 538362640 /nfs/dbraw/zinc/36/26/40/538362640.db2.gz FMJFTBKFBBDMGD-UHFFFAOYSA-N 1 1 187.283 1.157 10 30 ADEEMO C=CC[N@@H+]1CCCCC[C@@H]1CCO 379354040 538359741 /nfs/dbraw/zinc/35/97/41/538359741.db2.gz HGRBULAJLYYPSC-LLVKDONJSA-N 1 1 183.295 1.799 10 30 ADEEMO C=CC[N@@H+]1CCCCC[C@H]1CCO 379354041 538360720 /nfs/dbraw/zinc/36/07/20/538360720.db2.gz HGRBULAJLYYPSC-NSHDSACASA-N 1 1 183.295 1.799 10 30 ADEEMO C=C(CC)C[N@@H+](C)CC1(CO)CC1 379357549 538360914 /nfs/dbraw/zinc/36/09/14/538360914.db2.gz RSCKYUGDDDPVDE-UHFFFAOYSA-N 1 1 183.295 1.657 10 30 ADEEMO C=C(CC)CN1CC[NH+](CC)CC1 379362713 538362604 /nfs/dbraw/zinc/36/26/04/538362604.db2.gz IFNHGANKDLJAMO-UHFFFAOYSA-N 1 1 182.311 1.590 10 30 ADEEMO C=CCCC[NH2+]Cc1cn[nH]c1C 379366432 538365852 /nfs/dbraw/zinc/36/58/52/538365852.db2.gz KPQYWXKFHIZKLA-UHFFFAOYSA-N 1 1 179.267 1.774 10 30 ADEEMO C=CCOCC[NH2+]Cc1nccs1 379368440 538367342 /nfs/dbraw/zinc/36/73/42/538367342.db2.gz NYPGAKXZAPZGNA-UHFFFAOYSA-N 1 1 198.291 1.435 10 30 ADEEMO C=CC[N@H+](Cc1ccno1)C1CC1 379378847 538371421 /nfs/dbraw/zinc/37/14/21/538371421.db2.gz AQBWNFHYKCQMJF-UHFFFAOYSA-N 1 1 178.235 1.825 10 30 ADEEMO C=CC[N@@H+](Cc1ccno1)C1CC1 379378847 538371426 /nfs/dbraw/zinc/37/14/26/538371426.db2.gz AQBWNFHYKCQMJF-UHFFFAOYSA-N 1 1 178.235 1.825 10 30 ADEEMO CC#CC[N@H+](C)C1CC(OCC)C1 379379948 538373165 /nfs/dbraw/zinc/37/31/65/538373165.db2.gz BKPQQDIUTRVTES-UHFFFAOYSA-N 1 1 181.279 1.509 10 30 ADEEMO CCC#C[C@H](C)[N@@H+](C)CCCCO 379379421 538373433 /nfs/dbraw/zinc/37/34/33/538373433.db2.gz AYEPROUVZLYFPF-NSHDSACASA-N 1 1 183.295 1.493 10 30 ADEEMO CCC#C[C@@H](C)[N@@H+](C)CCCCO 379379418 538375944 /nfs/dbraw/zinc/37/59/44/538375944.db2.gz AYEPROUVZLYFPF-LLVKDONJSA-N 1 1 183.295 1.493 10 30 ADEEMO C=C(C)CC[N@H+](C)Cc1cc[nH]n1 379382201 538376909 /nfs/dbraw/zinc/37/69/09/538376909.db2.gz IFJWOBKDCCEUCF-UHFFFAOYSA-N 1 1 179.267 1.808 10 30 ADEEMO C=CCCC[N@H+](C)[C@@H](CO)C(=C)C 379382950 538377362 /nfs/dbraw/zinc/37/73/62/538377362.db2.gz FULCANJPDFPHOL-NSHDSACASA-N 1 1 183.295 1.821 10 30 ADEEMO C=CC[N@@H+](Cc1cn[nH]c1)C1CC1 379382504 538378207 /nfs/dbraw/zinc/37/82/07/538378207.db2.gz FDONAZMCTLPTIH-UHFFFAOYSA-N 1 1 177.251 1.560 10 30 ADEEMO C=CCCC[N@H+](C)[C@H](CO)C(=C)C 379382949 538378737 /nfs/dbraw/zinc/37/87/37/538378737.db2.gz FULCANJPDFPHOL-LLVKDONJSA-N 1 1 183.295 1.821 10 30 ADEEMO C=CC[N@H+](C[C@H](C)COC)C1CC1 379394979 538387087 /nfs/dbraw/zinc/38/70/87/538387087.db2.gz YLBBTGXZGCQLOB-JTQLQIEISA-N 1 1 183.295 1.919 10 30 ADEEMO C=CC[N@H+](C[C@@H](C)COC)C1CC1 379394980 538387998 /nfs/dbraw/zinc/38/79/98/538387998.db2.gz YLBBTGXZGCQLOB-SNVBAGLBSA-N 1 1 183.295 1.919 10 30 ADEEMO C=CCC[N@H+]1CCOC[C@@H]1C1CC1 379398137 538389983 /nfs/dbraw/zinc/38/99/83/538389983.db2.gz FJHIOVBVXUVVMR-LLVKDONJSA-N 1 1 181.279 1.673 10 30 ADEEMO C=CCC[N@H+]1CCOC[C@H]1C1CC1 379398141 538391083 /nfs/dbraw/zinc/39/10/83/538391083.db2.gz FJHIOVBVXUVVMR-NSHDSACASA-N 1 1 181.279 1.673 10 30 ADEEMO C=CCC[N@H+](C)[C@H]1CC[C@H](O)CC1 379404024 538397078 /nfs/dbraw/zinc/39/70/78/538397078.db2.gz QQDDAQBACABYQQ-XYPYZODXSA-N 1 1 183.295 1.798 10 30 ADEEMO C=CCC[N@H+](C)C[C@@H](O)C(F)(F)F 379406111 538400506 /nfs/dbraw/zinc/40/05/06/538400506.db2.gz VOWXZFUZCDTSKL-SSDOTTSWSA-N 1 1 197.200 1.418 10 30 ADEEMO C=CC[N@H+](C)C[C@@H]1CCO[C@@H](C)C1 379412493 538406307 /nfs/dbraw/zinc/40/63/07/538406307.db2.gz KJFADBVCRBKKCL-WDEREUQCSA-N 1 1 183.295 1.919 10 30 ADEEMO C=CCC[N@H+](C)C[C@H](O)C(F)(F)F 379406112 538402417 /nfs/dbraw/zinc/40/24/17/538402417.db2.gz VOWXZFUZCDTSKL-ZETCQYMHSA-N 1 1 197.200 1.418 10 30 ADEEMO C=C(C)C[N@@H+](C)C[C@@H](O)C(C)(C)C 379409980 538404017 /nfs/dbraw/zinc/40/40/17/538404017.db2.gz FCEAEEPLHLJXKL-SNVBAGLBSA-N 1 1 185.311 1.901 10 30 ADEEMO C=C(C)C[N@@H+](C)C[C@H](O)C(C)(C)C 379409979 538404111 /nfs/dbraw/zinc/40/41/11/538404111.db2.gz FCEAEEPLHLJXKL-JTQLQIEISA-N 1 1 185.311 1.901 10 30 ADEEMO C=CCC[N@H+](C)CCN(C)C1CC1 379411469 538405222 /nfs/dbraw/zinc/40/52/22/538405222.db2.gz IFFLQZRROAXXKB-UHFFFAOYSA-N 1 1 182.311 1.589 10 30 ADEEMO C=CCCN(C)CC[N@H+](C)C1CC1 379411469 538405223 /nfs/dbraw/zinc/40/52/23/538405223.db2.gz IFFLQZRROAXXKB-UHFFFAOYSA-N 1 1 182.311 1.589 10 30 ADEEMO C=CCCN(C)CC[N@@H+](C)C1CC1 379411469 538405225 /nfs/dbraw/zinc/40/52/25/538405225.db2.gz IFFLQZRROAXXKB-UHFFFAOYSA-N 1 1 182.311 1.589 10 30 ADEEMO C=CC[N@H+](C)C[C@@H]1CCO[C@H](C)C1 379412490 538406269 /nfs/dbraw/zinc/40/62/69/538406269.db2.gz KJFADBVCRBKKCL-GHMZBOCLSA-N 1 1 183.295 1.919 10 30 ADEEMO C=CC[N@H+](C)C[C@H]1CCO[C@@H](C)C1 379412492 538407470 /nfs/dbraw/zinc/40/74/70/538407470.db2.gz KJFADBVCRBKKCL-QWRGUYRKSA-N 1 1 183.295 1.919 10 30 ADEEMO C=CC[N@H+](C)C[C@H]1CCO[C@H](C)C1 379412491 538407755 /nfs/dbraw/zinc/40/77/55/538407755.db2.gz KJFADBVCRBKKCL-MNOVXSKESA-N 1 1 183.295 1.919 10 30 ADEEMO C=C(C)[C@@H](CO)[N@H+](C)C[C@H](C)CC 379416879 538409090 /nfs/dbraw/zinc/40/90/90/538409090.db2.gz SPSSDHMPUISVLY-GHMZBOCLSA-N 1 1 185.311 1.901 10 30 ADEEMO C=CC[N@H+](CCOC)CC1(F)CC1 379416085 538409132 /nfs/dbraw/zinc/40/91/32/538409132.db2.gz QYBBCRBLJZRCBA-UHFFFAOYSA-N 1 1 187.258 1.623 10 30 ADEEMO C=C(C)[C@H](CO)[N@H+](C)C[C@H](C)CC 379416880 538409155 /nfs/dbraw/zinc/40/91/55/538409155.db2.gz SPSSDHMPUISVLY-MNOVXSKESA-N 1 1 185.311 1.901 10 30 ADEEMO C=C(C)[C@@H](CO)[N@H+](C)C[C@@H](C)CC 379416882 538409271 /nfs/dbraw/zinc/40/92/71/538409271.db2.gz SPSSDHMPUISVLY-WDEREUQCSA-N 1 1 185.311 1.901 10 30 ADEEMO C=C(C)[C@H](CO)[N@H+](C)C[C@@H](C)CC 379416881 538410219 /nfs/dbraw/zinc/41/02/19/538410219.db2.gz SPSSDHMPUISVLY-QWRGUYRKSA-N 1 1 185.311 1.901 10 30 ADEEMO C=CC[C@H](CO)Nc1cc(C)cc[nH+]1 379656731 538426293 /nfs/dbraw/zinc/42/62/93/538426293.db2.gz LRCGCNLJUBACSX-SNVBAGLBSA-N 1 1 192.262 1.739 10 30 ADEEMO C=CC[C@@H](CO)Nc1cc(C)cc[nH+]1 379656730 538426252 /nfs/dbraw/zinc/42/62/52/538426252.db2.gz LRCGCNLJUBACSX-JTQLQIEISA-N 1 1 192.262 1.739 10 30 ADEEMO C=CC[N@H+](C)CCOCCCC 381895824 538427538 /nfs/dbraw/zinc/42/75/38/538427538.db2.gz AFIFZURWBSGEOT-UHFFFAOYSA-N 1 1 171.284 1.921 10 30 ADEEMO C=C(CC)C[N@@H+](CC)CCOC 381901029 538427757 /nfs/dbraw/zinc/42/77/57/538427757.db2.gz CGLIINDEPXTCIA-UHFFFAOYSA-N 1 1 171.284 1.921 10 30 ADEEMO C=CCC[N@H+](C)[C@@H]1CCC[C@H]1O 382214411 538429076 /nfs/dbraw/zinc/42/90/76/538429076.db2.gz HRZDWDZNCXTGOA-NXEZZACHSA-N 1 1 169.268 1.408 10 30 ADEEMO C=C(CC)C[N@@H+](C)CCOC 388145731 538429889 /nfs/dbraw/zinc/42/98/89/538429889.db2.gz HOBANSDHSIFJII-UHFFFAOYSA-N 1 1 157.257 1.531 10 30 ADEEMO C=CCC[N@@H+](C)Cc1ncc[nH]1 388391720 538431980 /nfs/dbraw/zinc/43/19/80/538431980.db2.gz CHTVDZGAWRBAAI-UHFFFAOYSA-N 1 1 165.240 1.418 10 30 ADEEMO C=CCC[N@H+](C)Cc1ncc[nH]1 388391720 538431981 /nfs/dbraw/zinc/43/19/81/538431981.db2.gz CHTVDZGAWRBAAI-UHFFFAOYSA-N 1 1 165.240 1.418 10 30 ADEEMO C=CC[N@@H+]1CC=C(COC)CC1 388414916 538432088 /nfs/dbraw/zinc/43/20/88/538432088.db2.gz ALVMWDXRKYMALC-UHFFFAOYSA-N 1 1 167.252 1.451 10 30 ADEEMO C=C(CC)C[N@@H+](C)C1CC(O)C1 388489047 538432637 /nfs/dbraw/zinc/43/26/37/538432637.db2.gz FLYLOKHXUCZGAF-UHFFFAOYSA-N 1 1 169.268 1.408 10 30 ADEEMO C=CCC[N@H+](C)C[C@H](O)C1CC1 388488384 538432707 /nfs/dbraw/zinc/43/27/07/538432707.db2.gz DYUYGWMZVMCKLF-JTQLQIEISA-N 1 1 169.268 1.265 10 30 ADEEMO C=CC[N@H+](CCOC)CC1(C)CC1 388582693 538433861 /nfs/dbraw/zinc/43/38/61/538433861.db2.gz BZTBNLNNOSIKQP-UHFFFAOYSA-N 1 1 183.295 1.921 10 30 ADEEMO C=CCC[N@H+](C)Cc1[nH]ncc1C 388596088 538433997 /nfs/dbraw/zinc/43/39/97/538433997.db2.gz OCKZZGPTYOUIAG-UHFFFAOYSA-N 1 1 179.267 1.726 10 30 ADEEMO C=CC[N@@H+](C)CCc1cnccn1 388585474 538434078 /nfs/dbraw/zinc/43/40/78/538434078.db2.gz HRCPHJAJNZLCDI-UHFFFAOYSA-N 1 1 177.251 1.137 10 30 ADEEMO COCC#CC[N@@H+](C)[C@H](C)C(C)C 388595409 538434100 /nfs/dbraw/zinc/43/41/00/538434100.db2.gz CMRGJMZPANSIDO-LLVKDONJSA-N 1 1 183.295 1.613 10 30 ADEEMO COCC#CC[N@@H+](C)[C@@H](C)C(C)C 388595411 538434171 /nfs/dbraw/zinc/43/41/71/538434171.db2.gz CMRGJMZPANSIDO-NSHDSACASA-N 1 1 183.295 1.613 10 30 ADEEMO C=C(CC)C[N@H+]1CC[C@@H](COC)C1 388616327 538434395 /nfs/dbraw/zinc/43/43/95/538434395.db2.gz ATZAXWSIOAEHRT-LLVKDONJSA-N 1 1 183.295 1.921 10 30 ADEEMO C=C(C)[C@@H](CO)[N@H+]1CC[C@@H](CC)C1 388612093 538434400 /nfs/dbraw/zinc/43/44/00/538434400.db2.gz ZFHDSQOKQUAPIP-GHMZBOCLSA-N 1 1 183.295 1.655 10 30 ADEEMO C=C(C)[C@H](CO)[N@H+]1CC[C@@H](CC)C1 388612095 538434475 /nfs/dbraw/zinc/43/44/75/538434475.db2.gz ZFHDSQOKQUAPIP-MNOVXSKESA-N 1 1 183.295 1.655 10 30 ADEEMO C=C(C)[C@@H](CO)[N@H+]1CC[C@H](CC)C1 388612098 538434625 /nfs/dbraw/zinc/43/46/25/538434625.db2.gz ZFHDSQOKQUAPIP-WDEREUQCSA-N 1 1 183.295 1.655 10 30 ADEEMO C=C(CC)C[N@H+]1CC[C@H](COC)C1 388616328 538434767 /nfs/dbraw/zinc/43/47/67/538434767.db2.gz ATZAXWSIOAEHRT-NSHDSACASA-N 1 1 183.295 1.921 10 30 ADEEMO C=C(C)[C@H](CO)[N@H+]1CC[C@H](CC)C1 388612096 538434816 /nfs/dbraw/zinc/43/48/16/538434816.db2.gz ZFHDSQOKQUAPIP-QWRGUYRKSA-N 1 1 183.295 1.655 10 30 ADEEMO C=C(C)[C@H](CO)[N@@H+](C)CCC1CC1 388621698 538434894 /nfs/dbraw/zinc/43/48/94/538434894.db2.gz HNIAHIJLAPYQEG-NSHDSACASA-N 1 1 183.295 1.655 10 30 ADEEMO C=C(C)[C@@H](CO)[N@@H+](C)CCC1CC1 388621694 538435041 /nfs/dbraw/zinc/43/50/41/538435041.db2.gz HNIAHIJLAPYQEG-LLVKDONJSA-N 1 1 183.295 1.655 10 30 ADEEMO C=CCOCC[NH2+]Cc1cscn1 388650714 538435701 /nfs/dbraw/zinc/43/57/01/538435701.db2.gz RQJWTOPCTHHGJV-UHFFFAOYSA-N 1 1 198.291 1.435 10 30 ADEEMO C=CCC[C@@H](O)C[N@H+](C)CC1CC1 388678701 538436107 /nfs/dbraw/zinc/43/61/07/538436107.db2.gz ZRACHDRFWGXDCV-LLVKDONJSA-N 1 1 183.295 1.655 10 30 ADEEMO C=CCC[C@H](O)C[N@H+](C)CC1CC1 388678702 538436237 /nfs/dbraw/zinc/43/62/37/538436237.db2.gz ZRACHDRFWGXDCV-NSHDSACASA-N 1 1 183.295 1.655 10 30 ADEEMO C=CC[N@@H+](C)Cc1oc(C)nc1C 388669428 538436432 /nfs/dbraw/zinc/43/64/32/538436432.db2.gz XNEBKTUYESOWST-UHFFFAOYSA-N 1 1 180.251 1.909 10 30 ADEEMO C=CC[N@H+](C)Cc1oc(C)nc1C 388669428 538436433 /nfs/dbraw/zinc/43/64/33/538436433.db2.gz XNEBKTUYESOWST-UHFFFAOYSA-N 1 1 180.251 1.909 10 30 ADEEMO CC#CCC[N@@H+](C)C[C@@H]1CCCO1 388809415 538437639 /nfs/dbraw/zinc/43/76/39/538437639.db2.gz QTMFFOUPSUOORR-NSHDSACASA-N 1 1 181.279 1.511 10 30 ADEEMO CC#CCC[N@H+](C)[C@H]1C[C@@H](OC)C1 388733735 538436978 /nfs/dbraw/zinc/43/69/78/538436978.db2.gz VYNMNXZXBWLLTK-PHIMTYICSA-N 1 1 181.279 1.509 10 30 ADEEMO CC#CC[N@@H+](C)CCOCC1CC1 388873827 538438238 /nfs/dbraw/zinc/43/82/38/538438238.db2.gz HONYTNZMIAIELU-UHFFFAOYSA-N 1 1 181.279 1.368 10 30 ADEEMO C=C(CC)C[N@H+]1C[C@H](OC)C[C@H]1CO 389196351 538438702 /nfs/dbraw/zinc/43/87/02/538438702.db2.gz AVVQYRDRTZMMFT-WDEREUQCSA-N 1 1 199.294 1.034 10 30 ADEEMO C=C(CC)C[N@H+]1C[C@@H](OC)C[C@H]1CO 389196350 538438814 /nfs/dbraw/zinc/43/88/14/538438814.db2.gz AVVQYRDRTZMMFT-QWRGUYRKSA-N 1 1 199.294 1.034 10 30 ADEEMO C=C(C)CC[NH2+][C@@H](C)c1ncn(C)n1 389202041 538439344 /nfs/dbraw/zinc/43/93/44/538439344.db2.gz DVWSEFVODYZWNC-VIFPVBQESA-N 1 1 194.282 1.432 10 30 ADEEMO C=C(C)CC[NH2+][C@H](C)c1ncn(C)n1 389202035 538439390 /nfs/dbraw/zinc/43/93/90/538439390.db2.gz DVWSEFVODYZWNC-SECBINFHSA-N 1 1 194.282 1.432 10 30 ADEEMO C=CCCOCC[NH2+]Cc1cocn1 389352542 538441158 /nfs/dbraw/zinc/44/11/58/538441158.db2.gz OVBVLOUZPMAPNV-UHFFFAOYSA-N 1 1 196.250 1.357 10 30 ADEEMO CCC[N@@H+](C)Cc1cncc(C#N)c1 669379149 538445271 /nfs/dbraw/zinc/44/52/71/538445271.db2.gz UTRJGSQIUSPSLY-UHFFFAOYSA-N 1 1 189.262 1.795 10 30 ADEEMO C[N@@H+](Cc1cncc(C#N)c1)C1CC1 669379205 538445248 /nfs/dbraw/zinc/44/52/48/538445248.db2.gz WZYHWWBVWDEONA-UHFFFAOYSA-N 1 1 187.246 1.547 10 30 ADEEMO CC(C)[N@@H+](C)Cc1cncc(C#N)c1 669378382 538445262 /nfs/dbraw/zinc/44/52/62/538445262.db2.gz CHKQGZBRTNSJOF-UHFFFAOYSA-N 1 1 189.262 1.793 10 30 ADEEMO CC#CCCn1cc[nH+]c1CC 157759128 541308127 /nfs/dbraw/zinc/30/81/27/541308127.db2.gz BZSHTARCYBRKHF-UHFFFAOYSA-N 1 1 162.236 1.859 10 30 ADEEMO CC#CCC[N@@H+](CCC)CCO 157762929 541308491 /nfs/dbraw/zinc/30/84/91/541308491.db2.gz DYVRAIOAQYPPBN-UHFFFAOYSA-N 1 1 169.268 1.104 10 30 ADEEMO CC#CCC[N@H+]1CCC[C@@H]1CCCO 158007630 541309071 /nfs/dbraw/zinc/30/90/71/541309071.db2.gz UOQMQVAJAXCJOG-GFCCVEGCSA-N 1 1 195.306 1.637 10 30 ADEEMO CC#CCC[N@H+]1CCC[C@H]1CCCO 158007759 541309422 /nfs/dbraw/zinc/30/94/22/541309422.db2.gz UOQMQVAJAXCJOG-LBPRGKRZSA-N 1 1 195.306 1.637 10 30 ADEEMO C=CCC[N@@H+]1CC[C@H](C)[C@H]1CO 299902923 541326660 /nfs/dbraw/zinc/32/66/60/541326660.db2.gz AJHKPXFQLSQVJY-VHSXEESVSA-N 1 1 169.268 1.265 10 30 ADEEMO C=CCC[N@@H+]1CC[C@@H](C)[C@H]1CO 299902920 541326726 /nfs/dbraw/zinc/32/67/26/541326726.db2.gz AJHKPXFQLSQVJY-NXEZZACHSA-N 1 1 169.268 1.265 10 30 ADEEMO C=CCN(CCC)CC(F)(F)C[NH3+] 308347505 541332732 /nfs/dbraw/zinc/33/27/32/541332732.db2.gz WKZXMVSWIVFKFW-UHFFFAOYSA-N 1 1 192.253 1.478 10 30 ADEEMO C=C(C)C[N@H+](C)CC1(CO)CC1 388378773 541341313 /nfs/dbraw/zinc/34/13/13/541341313.db2.gz HWUUHVXLSNMWLQ-UHFFFAOYSA-N 1 1 169.268 1.267 10 30 ADEEMO C=CCCC[N@H+](C)C1(CO)CC1 388377974 541341527 /nfs/dbraw/zinc/34/15/27/541341527.db2.gz GCONDVRPBBVZIP-UHFFFAOYSA-N 1 1 169.268 1.409 10 30 ADEEMO C[NH+](C)Cc1cc(C#N)c(F)cc1F 669380167 541350103 /nfs/dbraw/zinc/35/01/03/541350103.db2.gz SLBDNXVCTKLVFB-UHFFFAOYSA-N 1 1 196.200 1.898 10 30 ADEEMO N#C[C@H]1CCC[N@@H+]([C@@H]2CCOC2)C1 79828403 756969790 /nfs/dbraw/zinc/96/97/90/756969790.db2.gz SBMFIJNFRBQFNM-NXEZZACHSA-N 1 1 180.251 1.011 10 30 ADEEMO N#C[C@H]1CCC[N@H+]([C@@H]2CCOC2)C1 79828403 756969796 /nfs/dbraw/zinc/96/97/96/756969796.db2.gz SBMFIJNFRBQFNM-NXEZZACHSA-N 1 1 180.251 1.011 10 30 ADEEMO N#Cc1ccc(C[NH+]2CCC2)c(F)c1 78746479 756970851 /nfs/dbraw/zinc/97/08/51/756970851.db2.gz BIRZEDLKMBJTNW-UHFFFAOYSA-N 1 1 190.221 1.903 10 30 ADEEMO N#C[C@@H]1CCC[N@@H+]([C@@H]2CCOC2)C1 79828408 756972210 /nfs/dbraw/zinc/97/22/10/756972210.db2.gz SBMFIJNFRBQFNM-VHSXEESVSA-N 1 1 180.251 1.011 10 30 ADEEMO N#C[C@@H]1CCC[N@H+]([C@@H]2CCOC2)C1 79828408 756972220 /nfs/dbraw/zinc/97/22/20/756972220.db2.gz SBMFIJNFRBQFNM-VHSXEESVSA-N 1 1 180.251 1.011 10 30 ADEEMO C#CCCCn1cc[nH+]c1CC 161072441 757002873 /nfs/dbraw/zinc/00/28/73/757002873.db2.gz BKGJGWJOFTXHEL-UHFFFAOYSA-N 1 1 162.236 1.859 10 30 ADEEMO C#CCCC[N@H+]1CCO[C@@H](C)C1 161074318 757003087 /nfs/dbraw/zinc/00/30/87/757003087.db2.gz HNXKBGNZFWEAJL-JTQLQIEISA-N 1 1 167.252 1.121 10 30 ADEEMO C=CC[N@@H+](C)CCC(C)=O 259373539 757041562 /nfs/dbraw/zinc/04/15/62/757041562.db2.gz VNFXRLXYDHGVBY-UHFFFAOYSA-N 1 1 141.214 1.083 10 30 ADEEMO COc1ccc(C[NH+](C)C)c(C#N)c1 260755292 757046247 /nfs/dbraw/zinc/04/62/47/757046247.db2.gz GUPCKANHKAXXAL-UHFFFAOYSA-N 1 1 190.246 1.628 10 30 ADEEMO N#C[C@@H]1CC[N@H+](Cc2cc[nH]c2)C1 259874525 757046438 /nfs/dbraw/zinc/04/64/38/757046438.db2.gz CXIUWOSZLSBJLB-VIFPVBQESA-N 1 1 175.235 1.360 10 30 ADEEMO N#C[C@@H]1CC[N@@H+](Cc2cc[nH]c2)C1 259874525 757046448 /nfs/dbraw/zinc/04/64/48/757046448.db2.gz CXIUWOSZLSBJLB-VIFPVBQESA-N 1 1 175.235 1.360 10 30 ADEEMO C[NH+](C)Cc1ccc(F)cc1C#N 260842132 757047098 /nfs/dbraw/zinc/04/70/98/757047098.db2.gz SCXIJTCZVWTOAM-UHFFFAOYSA-N 1 1 178.210 1.759 10 30 ADEEMO N#C[C@H]1CC[N@H+](Cc2cc[nH]c2)C1 259874523 757048762 /nfs/dbraw/zinc/04/87/62/757048762.db2.gz CXIUWOSZLSBJLB-SECBINFHSA-N 1 1 175.235 1.360 10 30 ADEEMO N#C[C@H]1CC[N@@H+](Cc2cc[nH]c2)C1 259874523 757048770 /nfs/dbraw/zinc/04/87/70/757048770.db2.gz CXIUWOSZLSBJLB-SECBINFHSA-N 1 1 175.235 1.360 10 30 ADEEMO N#Cc1ccc(C[NH+]2CCC2)nc1 261290161 757050808 /nfs/dbraw/zinc/05/08/08/757050808.db2.gz LAXCNSPEADEEIG-UHFFFAOYSA-N 1 1 173.219 1.159 10 30 ADEEMO N#Cc1ccc(C[NH+]2CCC2)cn1 261304352 757051383 /nfs/dbraw/zinc/05/13/83/757051383.db2.gz SQOHMMJGVCAFRH-UHFFFAOYSA-N 1 1 173.219 1.159 10 30 ADEEMO CC[N@@H+](C)CC#Cc1ccccc1 306247735 757060150 /nfs/dbraw/zinc/06/01/50/757060150.db2.gz WFBZFVMACVMXHX-UHFFFAOYSA-N 1 1 173.259 1.990 10 30 ADEEMO C#C[C@H](C)[N@H+](C)Cc1cnc(C)cn1 769960884 674008560 /nfs/dbraw/zinc/00/85/60/674008560.db2.gz CGDFHHHLIMEUJI-JTQLQIEISA-N 1 1 189.262 1.239 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)Cc1cnc(C)cn1 769960884 674008561 /nfs/dbraw/zinc/00/85/61/674008561.db2.gz CGDFHHHLIMEUJI-JTQLQIEISA-N 1 1 189.262 1.239 10 30 ADEEMO C#C[C@@H](C)[N@H+](C)Cc1cnc(C)cn1 769960885 674008582 /nfs/dbraw/zinc/00/85/82/674008582.db2.gz CGDFHHHLIMEUJI-SNVBAGLBSA-N 1 1 189.262 1.239 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)Cc1cnc(C)cn1 769960885 674008583 /nfs/dbraw/zinc/00/85/83/674008583.db2.gz CGDFHHHLIMEUJI-SNVBAGLBSA-N 1 1 189.262 1.239 10 30 ADEEMO C#C[C@@H](C)[N@H+](C)Cc1cnc(C)nc1 769960677 674008622 /nfs/dbraw/zinc/00/86/22/674008622.db2.gz GFUWMKGGECNNJT-SECBINFHSA-N 1 1 189.262 1.239 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)Cc1cnc(C)nc1 769960677 674008623 /nfs/dbraw/zinc/00/86/23/674008623.db2.gz GFUWMKGGECNNJT-SECBINFHSA-N 1 1 189.262 1.239 10 30 ADEEMO C#C[C@H](C)[N@H+](C)Cc1cnc(C)nc1 769960679 674008633 /nfs/dbraw/zinc/00/86/33/674008633.db2.gz GFUWMKGGECNNJT-VIFPVBQESA-N 1 1 189.262 1.239 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)Cc1cnc(C)nc1 769960679 674008634 /nfs/dbraw/zinc/00/86/34/674008634.db2.gz GFUWMKGGECNNJT-VIFPVBQESA-N 1 1 189.262 1.239 10 30 ADEEMO C#CCCC[N@@H+]1CCC2(CN(C)C2)C1 306689293 757073349 /nfs/dbraw/zinc/07/33/49/757073349.db2.gz NZHOKZUJWMAKDJ-UHFFFAOYSA-N 1 1 192.306 1.037 10 30 ADEEMO C#CC[N@H+](C)[C@H]1COC(C)(C)C1 306786204 757075164 /nfs/dbraw/zinc/07/51/64/757075164.db2.gz UUNBSOVLUVSCID-SECBINFHSA-N 1 1 167.252 1.119 10 30 ADEEMO C#CCCC[N@@H+]1CC[C@@H](O)C[C@@H]1C 306758490 757076316 /nfs/dbraw/zinc/07/63/16/757076316.db2.gz OLJGWOAVYBVQIK-WDEREUQCSA-N 1 1 181.279 1.245 10 30 ADEEMO C#CCCC[N@@H+]1CC[C@H](O)C[C@@H]1C 306758487 757076517 /nfs/dbraw/zinc/07/65/17/757076517.db2.gz OLJGWOAVYBVQIK-QWRGUYRKSA-N 1 1 181.279 1.245 10 30 ADEEMO C#CC[N@H+](C)[C@@H]1COC(C)(C)C1 306786205 757076948 /nfs/dbraw/zinc/07/69/48/757076948.db2.gz UUNBSOVLUVSCID-VIFPVBQESA-N 1 1 167.252 1.119 10 30 ADEEMO C#C[C@](C)(CC)Nc1[nH+]cccc1N 306828060 757078569 /nfs/dbraw/zinc/07/85/69/757078569.db2.gz ICDAHLHIESYKQW-LLVKDONJSA-N 1 1 189.262 1.878 10 30 ADEEMO C[C@H]1CCC[N@@H+](CCCC#N)[C@H]1CO 687715771 571688308 /nfs/dbraw/zinc/68/83/08/571688308.db2.gz YOBWXHJBTNFWRG-QWRGUYRKSA-N 1 1 196.294 1.383 10 30 ADEEMO C#CCCC[N@H+]1CCC2(CC2)C1 307232700 757087721 /nfs/dbraw/zinc/08/77/21/757087721.db2.gz CKCXCLUFZMTQCO-UHFFFAOYSA-N 1 1 163.264 1.886 10 30 ADEEMO C=CCCN[C@H](C[NH3+])c1ccccc1 168658886 571736439 /nfs/dbraw/zinc/73/64/39/571736439.db2.gz MDOPLGQVGWSKLK-GFCCVEGCSA-N 1 1 190.290 1.852 10 30 ADEEMO C=CC[N@H+](C)Cc1ccc[nH]1 307675911 757096516 /nfs/dbraw/zinc/09/65/16/757096516.db2.gz DSQJBNVUHQNAJV-UHFFFAOYSA-N 1 1 150.225 1.633 10 30 ADEEMO C#CC[N@H+](C)[C@]1(CO)CC[C@@H](C)C1 307664416 757097237 /nfs/dbraw/zinc/09/72/37/757097237.db2.gz KGDGXUHURSCOEP-GHMZBOCLSA-N 1 1 181.279 1.103 10 30 ADEEMO C#CCC[N@H+](C)CC(C)(C)C#N 308077493 757101053 /nfs/dbraw/zinc/10/10/53/757101053.db2.gz GOSUNNHBYWCLFG-UHFFFAOYSA-N 1 1 164.252 1.491 10 30 ADEEMO C[N@H+]1CC[C@H](/C=C/CC#N)C1 687677989 571910220 /nfs/dbraw/zinc/91/02/20/571910220.db2.gz OVPAWUJJMVQOPO-LXOKAJLYSA-N 1 1 150.225 1.408 10 30 ADEEMO CCN(C)N=C1CC[N@@H+](C)C[C@@H]1C 308465669 571910291 /nfs/dbraw/zinc/91/02/91/571910291.db2.gz IYVIEHOJIIRXNM-VIFPVBQESA-N 1 1 183.299 1.266 10 30 ADEEMO CC[N@H+](CC1CC1)C[C@@](C)(C#N)NC 68948024 572012122 /nfs/dbraw/zinc/01/21/22/572012122.db2.gz IVSWPKYYNGYWHW-LLVKDONJSA-N 1 1 195.310 1.220 10 30 ADEEMO CC[N@@H+](CC1CC1)C[C@@](C)(C#N)NC 68948024 572012124 /nfs/dbraw/zinc/01/21/24/572012124.db2.gz IVSWPKYYNGYWHW-LLVKDONJSA-N 1 1 195.310 1.220 10 30 ADEEMO C#CC[N@H+](C)[C@H]1CCCC[C@H]1OC 687729584 571923036 /nfs/dbraw/zinc/92/30/36/571923036.db2.gz CBCOAWSPNRTJPJ-WDEREUQCSA-N 1 1 181.279 1.509 10 30 ADEEMO COC[C@@H]1CC[N@@H+](CC(C)(C)C=O)C1 81115397 571974185 /nfs/dbraw/zinc/97/41/85/571974185.db2.gz MPPXLSONDQJEHP-SNVBAGLBSA-N 1 1 199.294 1.180 10 30 ADEEMO C#CCCSC[C@H]1C[N@H+](C)CCO1 400837593 757137022 /nfs/dbraw/zinc/13/70/22/757137022.db2.gz RHFIWVPEQAHDRM-SNVBAGLBSA-N 1 1 199.319 1.074 10 30 ADEEMO C#CCCSC[C@H]1C[N@@H+](C)CCO1 400837593 757137045 /nfs/dbraw/zinc/13/70/45/757137045.db2.gz RHFIWVPEQAHDRM-SNVBAGLBSA-N 1 1 199.319 1.074 10 30 ADEEMO C#CCCSC[C@@H]1C[N@H+](C)CCO1 400837591 757139660 /nfs/dbraw/zinc/13/96/60/757139660.db2.gz RHFIWVPEQAHDRM-JTQLQIEISA-N 1 1 199.319 1.074 10 30 ADEEMO C#CCCSC[C@@H]1C[N@@H+](C)CCO1 400837591 757139675 /nfs/dbraw/zinc/13/96/75/757139675.db2.gz RHFIWVPEQAHDRM-JTQLQIEISA-N 1 1 199.319 1.074 10 30 ADEEMO C#C[C@@H]([NH2+]C[C@@H](C)C#N)C(C)C 300835566 571979866 /nfs/dbraw/zinc/97/98/66/571979866.db2.gz CNZVIKQOFJQCBE-VHSXEESVSA-N 1 1 164.252 1.393 10 30 ADEEMO C[C@](N)(C#N)CC[N@@H+]1CCC[C@@H](F)C1 689397077 571981036 /nfs/dbraw/zinc/98/10/36/571981036.db2.gz BIKFGFAZOTZGEE-NXEZZACHSA-N 1 1 199.273 1.051 10 30 ADEEMO C[C@](N)(C#N)CC[N@H+]1CCC[C@@H](F)C1 689397077 571981038 /nfs/dbraw/zinc/98/10/38/571981038.db2.gz BIKFGFAZOTZGEE-NXEZZACHSA-N 1 1 199.273 1.051 10 30 ADEEMO C[C@@](N)(C#N)CC[N@@H+]1CCC[C@@H](F)C1 689397089 571981183 /nfs/dbraw/zinc/98/11/83/571981183.db2.gz BIKFGFAZOTZGEE-ZJUUUORDSA-N 1 1 199.273 1.051 10 30 ADEEMO C[C@@](N)(C#N)CC[N@H+]1CCC[C@@H](F)C1 689397089 571981187 /nfs/dbraw/zinc/98/11/87/571981187.db2.gz BIKFGFAZOTZGEE-ZJUUUORDSA-N 1 1 199.273 1.051 10 30 ADEEMO C=CCC[NH2+][C@H]1CCCc2[nH]ncc21 401529779 757154011 /nfs/dbraw/zinc/15/40/11/757154011.db2.gz AFUBBZFZIBMFER-JTQLQIEISA-N 1 1 191.278 1.953 10 30 ADEEMO C=CCC[NH2+][C@@H]1CCCc2[nH]ncc21 401529781 757158659 /nfs/dbraw/zinc/15/86/59/757158659.db2.gz AFUBBZFZIBMFER-SNVBAGLBSA-N 1 1 191.278 1.953 10 30 ADEEMO C#CCCC[N@H+](CC)[C@H]1CCCOC1 402739716 757164692 /nfs/dbraw/zinc/16/46/92/757164692.db2.gz HRBKSAWVNFPYNT-LBPRGKRZSA-N 1 1 195.306 1.901 10 30 ADEEMO C#CCC[N@H+](CC)[C@H]1CCCOC1 402737124 757165824 /nfs/dbraw/zinc/16/58/24/757165824.db2.gz GHOLNPITGPHPPC-NSHDSACASA-N 1 1 181.279 1.511 10 30 ADEEMO C#CCCC[N@H+](CC)[C@@H]1CCCOC1 402739715 757166168 /nfs/dbraw/zinc/16/61/68/757166168.db2.gz HRBKSAWVNFPYNT-GFCCVEGCSA-N 1 1 195.306 1.901 10 30 ADEEMO C#CCC[N@H+](CC)[C@@H]1CCCOC1 402737122 757169422 /nfs/dbraw/zinc/16/94/22/757169422.db2.gz GHOLNPITGPHPPC-LLVKDONJSA-N 1 1 181.279 1.511 10 30 ADEEMO C/[NH+]=C(/C)[C@@H](O)c1ccccc1 13540393 571987592 /nfs/dbraw/zinc/98/75/92/571987592.db2.gz WJOBFSVTSCWIDG-UBYNWHESSA-N 1 1 163.220 1.811 10 30 ADEEMO CC[NH2+]Cc1occc1C#N 233521501 571990022 /nfs/dbraw/zinc/99/00/22/571990022.db2.gz HWYGZFBWEKIOMU-UHFFFAOYSA-N 1 1 150.181 1.261 10 30 ADEEMO C#CC[N@@H+](C)CCCC(F)(F)F 402954420 757173785 /nfs/dbraw/zinc/17/37/85/757173785.db2.gz RTPIMPYXBSXNTJ-UHFFFAOYSA-N 1 1 179.185 1.894 10 30 ADEEMO C=CCNCC[N@H+](C)C[C@H]1C[C@H]1C 82652018 572070203 /nfs/dbraw/zinc/07/02/03/572070203.db2.gz ZXKVPEKECPEKNZ-GHMZBOCLSA-N 1 1 182.311 1.350 10 30 ADEEMO C=CCNC[C@H](C)[N@H+](C)C[C@@H]1C[C@@H]1C 82651998 572071335 /nfs/dbraw/zinc/07/13/35/572071335.db2.gz PQBOLAMPZDXUBC-SRVKXCTJSA-N 1 1 196.338 1.738 10 30 ADEEMO C#CCNC[C@H](C)[N@@H+](C)C[C@H]1C[C@@H]1C 82650603 572072438 /nfs/dbraw/zinc/07/24/38/572072438.db2.gz LRZLOHWQCXPNJG-SDDRHHMPSA-N 1 1 194.322 1.186 10 30 ADEEMO C#CC[NH2+]C[C@H](C)N(C)C[C@H]1C[C@@H]1C 82650603 572072439 /nfs/dbraw/zinc/07/24/39/572072439.db2.gz LRZLOHWQCXPNJG-SDDRHHMPSA-N 1 1 194.322 1.186 10 30 ADEEMO C#CC[N@H+](C)C[C@@H]1CC[C@@H]2C[C@@H]2C1 404009655 757182360 /nfs/dbraw/zinc/18/23/60/757182360.db2.gz CGZIGQPODVQVKU-UTUOFQBUSA-N 1 1 177.291 1.988 10 30 ADEEMO CC[C@@H]1CCC/C1=[NH+]\CCO 206996146 571994229 /nfs/dbraw/zinc/99/42/29/571994229.db2.gz QOXRLCDGIGAIAT-KGSKPCQNSA-N 1 1 155.241 1.630 10 30 ADEEMO C#CCC[N@@H+]1CC(C)(C)OC[C@H]1CC 403766375 757182971 /nfs/dbraw/zinc/18/29/71/757182971.db2.gz BNOJPJWATQLKSX-LLVKDONJSA-N 1 1 195.306 1.899 10 30 ADEEMO C#CCC[N@@H+]1CC(C)(C)OC[C@@H]1CC 403766376 757183635 /nfs/dbraw/zinc/18/36/35/757183635.db2.gz BNOJPJWATQLKSX-NSHDSACASA-N 1 1 195.306 1.899 10 30 ADEEMO C#CC[N@H+](C)C[C@@H]1CC[C@H]2C[C@H]2C1 404009653 757183785 /nfs/dbraw/zinc/18/37/85/757183785.db2.gz CGZIGQPODVQVKU-GRYCIOLGSA-N 1 1 177.291 1.988 10 30 ADEEMO N#Cc1ccc(C[NH+]2CCC2)cc1F 404093642 757184120 /nfs/dbraw/zinc/18/41/20/757184120.db2.gz XGFICUFZJNUQKH-UHFFFAOYSA-N 1 1 190.221 1.903 10 30 ADEEMO C=CC[N@@H+]1CCC[C@H](O)[C@@H]1C=C 207004060 571994351 /nfs/dbraw/zinc/99/43/51/571994351.db2.gz XVTXZJLMXIWAIN-UWVGGRQHSA-N 1 1 167.252 1.184 10 30 ADEEMO C#CCCC[N@H+](C)Cc1ccns1 404851679 757186772 /nfs/dbraw/zinc/18/67/72/757186772.db2.gz QVIGNMWBMJOTRX-UHFFFAOYSA-N 1 1 194.303 1.988 10 30 ADEEMO C#CCC[N@@H+](C)Cc1ccns1 404848297 757189575 /nfs/dbraw/zinc/18/95/75/757189575.db2.gz PKGFAFXMOBICLR-UHFFFAOYSA-N 1 1 180.276 1.598 10 30 ADEEMO C#CCC[N@H+](C)Cc1ccns1 404848297 757189581 /nfs/dbraw/zinc/18/95/81/757189581.db2.gz PKGFAFXMOBICLR-UHFFFAOYSA-N 1 1 180.276 1.598 10 30 ADEEMO C[C@@H]1CC(=O)C=C2CC[N@@H+](C)C[C@@H]21 206724772 571996703 /nfs/dbraw/zinc/99/67/03/571996703.db2.gz QEIUTPLQMUIEDS-LDYMZIIASA-N 1 1 179.263 1.473 10 30 ADEEMO C=C(Cl)C[NH2+]Cc1ccns1 404490124 757192517 /nfs/dbraw/zinc/19/25/17/757192517.db2.gz HLVKFQUQJQDTSL-UHFFFAOYSA-N 1 1 188.683 1.985 10 30 ADEEMO CC[C@@H](C)[N@@H+](C)CCC/C(N)=N/O 37110236 572095602 /nfs/dbraw/zinc/09/56/02/572095602.db2.gz SMHKNXHUANNCPD-MRVPVSSYSA-N 1 1 187.287 1.243 10 30 ADEEMO CC[N@@H+](CC/C(N)=N/O)CC(C)C 37111642 572095615 /nfs/dbraw/zinc/09/56/15/572095615.db2.gz UJGVNIBNNOENSA-UHFFFAOYSA-N 1 1 187.287 1.101 10 30 ADEEMO C=C(CC)C[NH2+][C@H]1CNC[C@@H](C)C1 401868798 571996746 /nfs/dbraw/zinc/99/67/46/571996746.db2.gz JIHMRDCKHDYWKZ-WDEREUQCSA-N 1 1 182.311 1.540 10 30 ADEEMO C#CCC[N@@H+]1CCC=C(Cl)C1 404496943 757194599 /nfs/dbraw/zinc/19/45/99/757194599.db2.gz HPYWIBKOFVUOOC-UHFFFAOYSA-N 1 1 169.655 1.838 10 30 ADEEMO C=CC[C@H](C)[NH2+][C@H]1C[C@H](N)C1(C)C 405417332 757197575 /nfs/dbraw/zinc/19/75/75/757197575.db2.gz WPCDMBCZADLRAM-GUBZILKMSA-N 1 1 182.311 1.666 10 30 ADEEMO C=C(C)CC[NH2+][C@@H]1C[C@@H](N)C12CCC2 405429537 757197983 /nfs/dbraw/zinc/19/79/83/757197983.db2.gz AOIDLZOGUGGJTO-GHMZBOCLSA-N 1 1 194.322 1.812 10 30 ADEEMO C=CCC[NH2+][C@@H]1C[C@H](N)C12CCC2 405395872 757200721 /nfs/dbraw/zinc/20/07/21/757200721.db2.gz ILMAXYHSGHRCBE-VHSXEESVSA-N 1 1 180.295 1.422 10 30 ADEEMO C=CC[C@H](C)[NH2+][C@H]1C[C@@H](N)C12CCC2 405254761 757200930 /nfs/dbraw/zinc/20/09/30/757200930.db2.gz KAAPEMASNIJIRX-AXFHLTTASA-N 1 1 194.322 1.811 10 30 ADEEMO C=CCC[NH2+][C@@H]1C[C@@H](N)C12CCC2 405395868 757203402 /nfs/dbraw/zinc/20/34/02/757203402.db2.gz ILMAXYHSGHRCBE-NXEZZACHSA-N 1 1 180.295 1.422 10 30 ADEEMO C=C(C)CC[NH2+][C@H]1C[C@@H](N)C12CCC2 405429539 757204796 /nfs/dbraw/zinc/20/47/96/757204796.db2.gz AOIDLZOGUGGJTO-MNOVXSKESA-N 1 1 194.322 1.812 10 30 ADEEMO C=C(C)CC[NH2+][C@@H]1C[C@H](N)C12CCC2 405429544 757205046 /nfs/dbraw/zinc/20/50/46/757205046.db2.gz AOIDLZOGUGGJTO-WDEREUQCSA-N 1 1 194.322 1.812 10 30 ADEEMO C=CC[C@H](C)[NH2+][C@@H]1C[C@H](N)C1(C)C 405417336 757205646 /nfs/dbraw/zinc/20/56/46/757205646.db2.gz WPCDMBCZADLRAM-LPEHRKFASA-N 1 1 182.311 1.666 10 30 ADEEMO C=CC[C@H](C)[NH2+][C@H]1C[C@H](N)C12CCC2 405254762 757205698 /nfs/dbraw/zinc/20/56/98/757205698.db2.gz KAAPEMASNIJIRX-DCAQKATOSA-N 1 1 194.322 1.811 10 30 ADEEMO C=CCC[NH2+][C@H]1C[C@@H](N)C12CCC2 405395873 757206308 /nfs/dbraw/zinc/20/63/08/757206308.db2.gz ILMAXYHSGHRCBE-ZJUUUORDSA-N 1 1 180.295 1.422 10 30 ADEEMO C=CC[C@H](C)[NH2+][C@@H]1C[C@@H](N)C1(C)C 405417334 757206555 /nfs/dbraw/zinc/20/65/55/757206555.db2.gz WPCDMBCZADLRAM-IVZWLZJFSA-N 1 1 182.311 1.666 10 30 ADEEMO CC[N@H+](C[C@](N)(C#N)C1CC1)C(C)C 68899324 572003115 /nfs/dbraw/zinc/00/31/15/572003115.db2.gz QYSSRLYWJWILHY-LLVKDONJSA-N 1 1 195.310 1.348 10 30 ADEEMO CC[N@@H+](C[C@](N)(C#N)C1CC1)C(C)C 68899324 572003116 /nfs/dbraw/zinc/00/31/16/572003116.db2.gz QYSSRLYWJWILHY-LLVKDONJSA-N 1 1 195.310 1.348 10 30 ADEEMO C=C(C)CC[NH2+][C@H]1C[C@H](N)C12CCC2 405429541 757209489 /nfs/dbraw/zinc/20/94/89/757209489.db2.gz AOIDLZOGUGGJTO-QWRGUYRKSA-N 1 1 194.322 1.812 10 30 ADEEMO C=CCC[NH2+][C@H]1C[C@H](N)C12CCC2 405395870 757209880 /nfs/dbraw/zinc/20/98/80/757209880.db2.gz ILMAXYHSGHRCBE-UWVGGRQHSA-N 1 1 180.295 1.422 10 30 ADEEMO C=CC[C@H](C)[NH2+][C@@H]1C[C@H](N)C12CCC2 405254763 757210273 /nfs/dbraw/zinc/21/02/73/757210273.db2.gz KAAPEMASNIJIRX-GARJFASQSA-N 1 1 194.322 1.811 10 30 ADEEMO C=CC[C@H](C)[NH2+][C@@H]1C[C@@H](N)C12CCC2 405254764 757212325 /nfs/dbraw/zinc/21/23/25/757212325.db2.gz KAAPEMASNIJIRX-HBNTYKKESA-N 1 1 194.322 1.811 10 30 ADEEMO C=CC[C@H](C)[NH2+][C@H]1C[C@@H](N)C1(C)C 405417330 757212351 /nfs/dbraw/zinc/21/23/51/757212351.db2.gz WPCDMBCZADLRAM-AEJSXWLSSA-N 1 1 182.311 1.666 10 30 ADEEMO CCC[N@@H+](C)[C@@H](C)C[C@](C)(N)C#N 82794121 572113486 /nfs/dbraw/zinc/11/34/86/572113486.db2.gz HFYKZJRSUQENPQ-UWVGGRQHSA-N 1 1 183.299 1.348 10 30 ADEEMO C[C@H](C[C@](C)(N)C#N)[N@@H+](C)CC1CC1 82794614 572113492 /nfs/dbraw/zinc/11/34/92/572113492.db2.gz JTDNXXKMMHYEMJ-KOLCDFICSA-N 1 1 195.310 1.348 10 30 ADEEMO C=CCCC[N@H+]1CC[C@@](C)(N)C1 405855277 757224404 /nfs/dbraw/zinc/22/44/04/757224404.db2.gz ZPATWQAGYKVAQS-SNVBAGLBSA-N 1 1 168.284 1.376 10 30 ADEEMO C=CCCC[N@@H+]1CC[C@@](C)(N)C1 405855277 757224430 /nfs/dbraw/zinc/22/44/30/757224430.db2.gz ZPATWQAGYKVAQS-SNVBAGLBSA-N 1 1 168.284 1.376 10 30 ADEEMO C=CCCCN1CC[C@@](C)([NH3+])C1 405855277 757224451 /nfs/dbraw/zinc/22/44/51/757224451.db2.gz ZPATWQAGYKVAQS-SNVBAGLBSA-N 1 1 168.284 1.376 10 30 ADEEMO C[N@H+]1CC[C@]2(CC[C@@H](CC#N)O2)C1 686227819 572008514 /nfs/dbraw/zinc/00/85/14/572008514.db2.gz PGHRZYGQYZHKSY-VHSXEESVSA-N 1 1 180.251 1.153 10 30 ADEEMO C=CCCC[N@H+]1CC[C@](C)(N)C1 405855275 757230170 /nfs/dbraw/zinc/23/01/70/757230170.db2.gz ZPATWQAGYKVAQS-JTQLQIEISA-N 1 1 168.284 1.376 10 30 ADEEMO C=CCCC[N@@H+]1CC[C@](C)(N)C1 405855275 757230185 /nfs/dbraw/zinc/23/01/85/757230185.db2.gz ZPATWQAGYKVAQS-JTQLQIEISA-N 1 1 168.284 1.376 10 30 ADEEMO C=CCCCN1CC[C@](C)([NH3+])C1 405855275 757230199 /nfs/dbraw/zinc/23/01/99/757230199.db2.gz ZPATWQAGYKVAQS-JTQLQIEISA-N 1 1 168.284 1.376 10 30 ADEEMO CC[N@@H+](CC[C@@](C)(N)C#N)CC1CC1 68947999 572012571 /nfs/dbraw/zinc/01/25/71/572012571.db2.gz AEBPHAHMSZMHLE-LLVKDONJSA-N 1 1 195.310 1.349 10 30 ADEEMO C1CC1[C@@H]1CC[N@H+](CC[C@H]2CO2)C1 400280027 572016507 /nfs/dbraw/zinc/01/65/07/572016507.db2.gz ITRSJOJIPOCAKF-MNOVXSKESA-N 1 1 181.279 1.507 10 30 ADEEMO C[C@@H](CC#N)[N@H+]1CCCC[C@@H]1CO 42432241 572016517 /nfs/dbraw/zinc/01/65/17/572016517.db2.gz BGTCLCRAPWFPPP-VHSXEESVSA-N 1 1 182.267 1.135 10 30 ADEEMO CCC(C)(C)[N@@H+](C)[C@H](C)/C(N)=N/O 68998520 572018117 /nfs/dbraw/zinc/01/81/17/572018117.db2.gz VNIOCILYZHWBGY-SSDOTTSWSA-N 1 1 187.287 1.242 10 30 ADEEMO CCC(C)(C)[N@@H+](C)CC[C@H](C#N)NC 69001098 572018136 /nfs/dbraw/zinc/01/81/36/572018136.db2.gz UTPDXGVBWLDBSS-SNVBAGLBSA-N 1 1 197.326 1.608 10 30 ADEEMO CC(C)[N@@H+](CCCO)CCCC#N 42503933 572023407 /nfs/dbraw/zinc/02/34/07/572023407.db2.gz MQDSDVFAZHPZQD-UHFFFAOYSA-N 1 1 184.283 1.383 10 30 ADEEMO C=CC[C@H](C)[N@H+]1C[C@H](O)C(C)(C)C1 642823160 757261749 /nfs/dbraw/zinc/26/17/49/757261749.db2.gz WIWZPXNTXJZCJS-UWVGGRQHSA-N 1 1 183.295 1.654 10 30 ADEEMO C=CCNCC[N@H+]1CCC[C@H](C)CC1 82490596 572039438 /nfs/dbraw/zinc/03/94/38/572039438.db2.gz IRGSFGHQBFQPFE-LBPRGKRZSA-N 1 1 196.338 1.884 10 30 ADEEMO C=CCNCC[N@@H+]1CCC[C@H](C)CC1 82490596 572039440 /nfs/dbraw/zinc/03/94/40/572039440.db2.gz IRGSFGHQBFQPFE-LBPRGKRZSA-N 1 1 196.338 1.884 10 30 ADEEMO C#CCC[N@@H+]1CC[C@H](C(C)(C)O)C1 642820701 757259405 /nfs/dbraw/zinc/25/94/05/757259405.db2.gz UHINURDLWGASPN-JTQLQIEISA-N 1 1 181.279 1.103 10 30 ADEEMO C#CCC[N@@H+]1CC[C@@H](C(C)(C)O)C1 642820702 757261352 /nfs/dbraw/zinc/26/13/52/757261352.db2.gz UHINURDLWGASPN-SNVBAGLBSA-N 1 1 181.279 1.103 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1C[C@@H](O)C(C)(C)C1 642823158 757261996 /nfs/dbraw/zinc/26/19/96/757261996.db2.gz WIWZPXNTXJZCJS-NXEZZACHSA-N 1 1 183.295 1.654 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1C[C@H](O)C(C)(C)C1 642823162 757262418 /nfs/dbraw/zinc/26/24/18/757262418.db2.gz WIWZPXNTXJZCJS-ZJUUUORDSA-N 1 1 183.295 1.654 10 30 ADEEMO C=CC[C@H](C)[NH2+]Cc1noc(C)n1 235072358 572048477 /nfs/dbraw/zinc/04/84/77/572048477.db2.gz JEDCILGNAXAARW-ZETCQYMHSA-N 1 1 181.239 1.432 10 30 ADEEMO CC(C)[C@@H](O)C[N@H+](CCC#N)C1CC1 300918450 572048501 /nfs/dbraw/zinc/04/85/01/572048501.db2.gz TULNAMXINRUBKP-NSHDSACASA-N 1 1 196.294 1.381 10 30 ADEEMO CC(C)[C@@H](O)C[N@@H+](CCC#N)C1CC1 300918450 572048502 /nfs/dbraw/zinc/04/85/02/572048502.db2.gz TULNAMXINRUBKP-NSHDSACASA-N 1 1 196.294 1.381 10 30 ADEEMO C=CC[C@H](C)[N@H+]1C[C@@H](O)C(C)(C)C1 642823161 757263837 /nfs/dbraw/zinc/26/38/37/757263837.db2.gz WIWZPXNTXJZCJS-VHSXEESVSA-N 1 1 183.295 1.654 10 30 ADEEMO CC(C)c1[nH+]cc(NC=NC#N)n1C 34061153 572051401 /nfs/dbraw/zinc/05/14/01/572051401.db2.gz CLCSWTWHLIMQRH-UHFFFAOYSA-N 1 1 191.238 1.274 10 30 ADEEMO CC#CC[N@H+]1CC[C@@H](C(C)(C)O)C1 642847762 757265816 /nfs/dbraw/zinc/26/58/16/757265816.db2.gz CFUPRWGTCNASDL-SNVBAGLBSA-N 1 1 181.279 1.103 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CCC[C@H](N)C1 642833880 757268107 /nfs/dbraw/zinc/26/81/07/757268107.db2.gz CGDYNZWXIJTODJ-UWVGGRQHSA-N 1 1 168.284 1.374 10 30 ADEEMO C=CC[C@H](C)N1CCC[C@H]([NH3+])C1 642833880 757268137 /nfs/dbraw/zinc/26/81/37/757268137.db2.gz CGDYNZWXIJTODJ-UWVGGRQHSA-N 1 1 168.284 1.374 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CCC[C@@H](O)C1 642836739 757269253 /nfs/dbraw/zinc/26/92/53/757269253.db2.gz YDPYAQFAFDKSJW-VHSXEESVSA-N 1 1 169.268 1.408 10 30 ADEEMO CC#CC[N@H+]1CC[C@H](C(C)(C)O)C1 642847761 757269562 /nfs/dbraw/zinc/26/95/62/757269562.db2.gz CFUPRWGTCNASDL-JTQLQIEISA-N 1 1 181.279 1.103 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CCC[C@H](O)C1 642836740 757269630 /nfs/dbraw/zinc/26/96/30/757269630.db2.gz YDPYAQFAFDKSJW-ZJUUUORDSA-N 1 1 169.268 1.408 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CCC[C@@H](O)C1 642836737 757269698 /nfs/dbraw/zinc/26/96/98/757269698.db2.gz YDPYAQFAFDKSJW-NXEZZACHSA-N 1 1 169.268 1.408 10 30 ADEEMO C=C(C)C[N@H+]1CC[C@H](C(C)(C)O)C1 642849818 757269940 /nfs/dbraw/zinc/26/99/40/757269940.db2.gz UXIQXPIWONNBBB-JTQLQIEISA-N 1 1 183.295 1.655 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CCC[C@@](C)(O)C1 642838981 757271867 /nfs/dbraw/zinc/27/18/67/757271867.db2.gz SXLOFBLXQQOWCB-WDEREUQCSA-N 1 1 183.295 1.798 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CCC[C@H](O)C1 642836738 757273662 /nfs/dbraw/zinc/27/36/62/757273662.db2.gz YDPYAQFAFDKSJW-UWVGGRQHSA-N 1 1 169.268 1.408 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CCC[C@H](N)C1 642833881 757274035 /nfs/dbraw/zinc/27/40/35/757274035.db2.gz CGDYNZWXIJTODJ-ZJUUUORDSA-N 1 1 168.284 1.374 10 30 ADEEMO C=CC[C@@H](C)N1CCC[C@H]([NH3+])C1 642833881 757274055 /nfs/dbraw/zinc/27/40/55/757274055.db2.gz CGDYNZWXIJTODJ-ZJUUUORDSA-N 1 1 168.284 1.374 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CCC[C@](C)(O)C1 642838979 757275165 /nfs/dbraw/zinc/27/51/65/757275165.db2.gz SXLOFBLXQQOWCB-MNOVXSKESA-N 1 1 183.295 1.798 10 30 ADEEMO CC(C)[C@H](C)[N@@H+](C)CC/C(N)=N/O 36787432 572067817 /nfs/dbraw/zinc/06/78/17/572067817.db2.gz XVSXWMPTLRJJON-QMMMGPOBSA-N 1 1 187.287 1.099 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CCC[C@@](C)(O)C1 642838977 757277241 /nfs/dbraw/zinc/27/72/41/757277241.db2.gz SXLOFBLXQQOWCB-GHMZBOCLSA-N 1 1 183.295 1.798 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CCC[C@](C)(O)C1 642838980 757278083 /nfs/dbraw/zinc/27/80/83/757278083.db2.gz SXLOFBLXQQOWCB-QWRGUYRKSA-N 1 1 183.295 1.798 10 30 ADEEMO C=CCC[N@H+]1C[C@H](N)C(C)(C)C1 642833431 757278142 /nfs/dbraw/zinc/27/81/42/757278142.db2.gz GSRDAPUCSRMKCX-VIFPVBQESA-N 1 1 168.284 1.232 10 30 ADEEMO C[C@@H]1C[C@@H]1C[N@@H+](C)CCCC#N 82648579 572069290 /nfs/dbraw/zinc/06/92/90/572069290.db2.gz MOURJRZHUCJNOF-NXEZZACHSA-N 1 1 166.268 1.878 10 30 ADEEMO C=CCCN1C[C@H]([NH3+])C(C)(C)C1 642833431 757278223 /nfs/dbraw/zinc/27/82/23/757278223.db2.gz GSRDAPUCSRMKCX-VIFPVBQESA-N 1 1 168.284 1.232 10 30 ADEEMO C=CCC[N@H+]1C[C@@H](N)C(C)(C)C1 642833428 757279158 /nfs/dbraw/zinc/27/91/58/757279158.db2.gz GSRDAPUCSRMKCX-SECBINFHSA-N 1 1 168.284 1.232 10 30 ADEEMO C=CCCN1C[C@@H]([NH3+])C(C)(C)C1 642833428 757279259 /nfs/dbraw/zinc/27/92/59/757279259.db2.gz GSRDAPUCSRMKCX-SECBINFHSA-N 1 1 168.284 1.232 10 30 ADEEMO C=C(C)C[N@H+]1CC[C@@H](C(C)(C)O)C1 642849819 757279782 /nfs/dbraw/zinc/27/97/82/757279782.db2.gz UXIQXPIWONNBBB-SNVBAGLBSA-N 1 1 183.295 1.655 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1C[C@@H](N)C(C)(C)C1 642876014 757281322 /nfs/dbraw/zinc/28/13/22/757281322.db2.gz MUBMNTQOCBOBTE-NXEZZACHSA-N 1 1 182.311 1.620 10 30 ADEEMO C=CC[C@@H](C)N1C[C@@H]([NH3+])C(C)(C)C1 642876014 757281350 /nfs/dbraw/zinc/28/13/50/757281350.db2.gz MUBMNTQOCBOBTE-NXEZZACHSA-N 1 1 182.311 1.620 10 30 ADEEMO C=CCNCC[N@@H+](C)C[C@@H]1C[C@@H]1C 82652036 572070432 /nfs/dbraw/zinc/07/04/32/572070432.db2.gz ZXKVPEKECPEKNZ-QWRGUYRKSA-N 1 1 182.311 1.350 10 30 ADEEMO C=CCNCC[N@H+](C)C[C@@H]1C[C@@H]1C 82652036 572070434 /nfs/dbraw/zinc/07/04/34/572070434.db2.gz ZXKVPEKECPEKNZ-QWRGUYRKSA-N 1 1 182.311 1.350 10 30 ADEEMO CN[C@H](C#N)CC[N@@H+](C)C[C@H]1C[C@H]1C 82649771 572072964 /nfs/dbraw/zinc/07/29/64/572072964.db2.gz JFDNPVSZYPOTMV-MXWKQRLJSA-N 1 1 195.310 1.076 10 30 ADEEMO C[C@H]1C[C@@H]1C[N@@H+](C)CC(C)(C)C=O 82655513 572072981 /nfs/dbraw/zinc/07/29/81/572072981.db2.gz RDUPRDDOXLXMIN-VHSXEESVSA-N 1 1 183.295 1.799 10 30 ADEEMO C=CC[N@@H+]1CC[C@H](C(C)(C)O)C1 642872456 757287443 /nfs/dbraw/zinc/28/74/43/757287443.db2.gz BSZPMWMNKJLCPI-VIFPVBQESA-N 1 1 169.268 1.265 10 30 ADEEMO C=CC[N@@H+]1CC[C@@H](C(C)(C)O)C1 642872455 757289134 /nfs/dbraw/zinc/28/91/34/757289134.db2.gz BSZPMWMNKJLCPI-SECBINFHSA-N 1 1 169.268 1.265 10 30 ADEEMO C=CC[C@H](C)[N@H+]1C[C@H](N)C(C)(C)C1 642876016 757289432 /nfs/dbraw/zinc/28/94/32/757289432.db2.gz MUBMNTQOCBOBTE-UWVGGRQHSA-N 1 1 182.311 1.620 10 30 ADEEMO C=CC[C@H](C)N1C[C@H]([NH3+])C(C)(C)C1 642876016 757289440 /nfs/dbraw/zinc/28/94/40/757289440.db2.gz MUBMNTQOCBOBTE-UWVGGRQHSA-N 1 1 182.311 1.620 10 30 ADEEMO C#CCC[N@H+](C[C@@H](C)OC)C(C)C 685969125 757294214 /nfs/dbraw/zinc/29/42/14/757294214.db2.gz IBAKZYAUPXSLMY-LLVKDONJSA-N 1 1 183.295 1.755 10 30 ADEEMO C[C@H](C#N)OCC[N@H+]1CC[C@@H]2C[C@@H]21 685970655 757295108 /nfs/dbraw/zinc/29/51/08/757295108.db2.gz JCJAZJWNURSVNZ-BBBLOLIVSA-N 1 1 180.251 1.009 10 30 ADEEMO N#CCCC[N@H+]1CC[C@@H]2C[C@@H]21 685967166 757295351 /nfs/dbraw/zinc/29/53/51/757295351.db2.gz UPGCNJDCVYHFMH-BDAKNGLRSA-N 1 1 150.225 1.384 10 30 ADEEMO C#CCC[N@H+]1CCC12CCOCC2 685969450 757296190 /nfs/dbraw/zinc/29/61/90/757296190.db2.gz ZQUTTZPYQYXLQG-UHFFFAOYSA-N 1 1 179.263 1.265 10 30 ADEEMO C#CCC[N@H+](C[C@H](C)OC)C(C)C 685969126 757296527 /nfs/dbraw/zinc/29/65/27/757296527.db2.gz IBAKZYAUPXSLMY-NSHDSACASA-N 1 1 183.295 1.755 10 30 ADEEMO C#CC[N@H+](CC=C)[C@H](C)COC 685968273 757296592 /nfs/dbraw/zinc/29/65/92/757296592.db2.gz IDBXMGUTXJLMBT-SNVBAGLBSA-N 1 1 167.252 1.143 10 30 ADEEMO C[C@H](C#N)OCC[N@H+]1CC[C@H]2C[C@H]21 685970656 757297583 /nfs/dbraw/zinc/29/75/83/757297583.db2.gz JCJAZJWNURSVNZ-KXUCPTDWSA-N 1 1 180.251 1.009 10 30 ADEEMO CC[C@H]1CCCC[N@H+]1CC/C(N)=N/O 37083425 572087855 /nfs/dbraw/zinc/08/78/55/572087855.db2.gz DFMMTEAEVZAVSV-VIFPVBQESA-N 1 1 199.298 1.387 10 30 ADEEMO C#CC[N@H+](CCC)CC(C)(C)O 685967951 757298743 /nfs/dbraw/zinc/29/87/43/757298743.db2.gz BBHMHBXXPCJQOC-UHFFFAOYSA-N 1 1 169.268 1.103 10 30 ADEEMO N#CCCCC[N@H+]1CC[C@@H]2C[C@@H]21 685967994 757299523 /nfs/dbraw/zinc/29/95/23/757299523.db2.gz VNMKDBWCFJNRNU-ZJUUUORDSA-N 1 1 164.252 1.774 10 30 ADEEMO N#CCCC[N@H+]1CC[C@H]2C[C@H]21 685967167 757299813 /nfs/dbraw/zinc/29/98/13/757299813.db2.gz UPGCNJDCVYHFMH-DTWKUNHWSA-N 1 1 150.225 1.384 10 30 ADEEMO N#CCCCC[N@H+]1CC[C@H]2C[C@H]21 685967993 757300052 /nfs/dbraw/zinc/30/00/52/757300052.db2.gz VNMKDBWCFJNRNU-VHSXEESVSA-N 1 1 164.252 1.774 10 30 ADEEMO C#CC[N@H+](CC=C)[C@@H](C)COC 685968272 757301720 /nfs/dbraw/zinc/30/17/20/757301720.db2.gz IDBXMGUTXJLMBT-JTQLQIEISA-N 1 1 167.252 1.143 10 30 ADEEMO C#CCCC[N@@H+]1C[C@H](C)NC[C@H]1CC 300399738 572173739 /nfs/dbraw/zinc/17/37/39/572173739.db2.gz WELUEIUNXJJKDG-NWDGAFQWSA-N 1 1 194.322 1.472 10 30 ADEEMO C#CCCCN1C[C@H](C)[NH2+]C[C@H]1CC 300399738 572173741 /nfs/dbraw/zinc/17/37/41/572173741.db2.gz WELUEIUNXJJKDG-NWDGAFQWSA-N 1 1 194.322 1.472 10 30 ADEEMO CCC[N@@H+](C[C@H]1CO1)C1CC1 37097273 572088712 /nfs/dbraw/zinc/08/87/12/572088712.db2.gz CDKBPHVTEQJZSN-VIFPVBQESA-N 1 1 155.241 1.260 10 30 ADEEMO C#CCCCCC[N@H+](C)C[C@@H](C)O 686676296 757308643 /nfs/dbraw/zinc/30/86/43/757308643.db2.gz DADOQXWGVGUHHR-LLVKDONJSA-N 1 1 183.295 1.493 10 30 ADEEMO C#CCCCCC[N@H+](C)[C@H](CC)CO 686676509 757308675 /nfs/dbraw/zinc/30/86/75/757308675.db2.gz WNQRNLUFHBMMLG-GFCCVEGCSA-N 1 1 197.322 1.883 10 30 ADEEMO C#CCCCCC[N@H+](C)[C@@H](CC)CO 686676510 757308783 /nfs/dbraw/zinc/30/87/83/757308783.db2.gz WNQRNLUFHBMMLG-LBPRGKRZSA-N 1 1 197.322 1.883 10 30 ADEEMO C#CCCCCC[N@@H+]1CCC[C@H](O)C1 686673115 757308954 /nfs/dbraw/zinc/30/89/54/757308954.db2.gz SEACQVAWKNEAFH-LBPRGKRZSA-N 1 1 195.306 1.637 10 30 ADEEMO C#CCCCCC[N@H+](C)C[C@H](C)O 686676297 757309353 /nfs/dbraw/zinc/30/93/53/757309353.db2.gz DADOQXWGVGUHHR-NSHDSACASA-N 1 1 183.295 1.493 10 30 ADEEMO C#CCCCCC[N@@H+](CC)CCO 686676668 757309453 /nfs/dbraw/zinc/30/94/53/757309453.db2.gz LZWDVWDUTYYAQH-UHFFFAOYSA-N 1 1 183.295 1.494 10 30 ADEEMO C#CCCCCC[N@@H+](C)CCO 686675219 757309650 /nfs/dbraw/zinc/30/96/50/757309650.db2.gz JXPIPQWUJDRTCC-UHFFFAOYSA-N 1 1 169.268 1.104 10 30 ADEEMO CO[C@@H]1CC[C@@H](C)[N@@H+](CCCC#N)C1 687208436 757310107 /nfs/dbraw/zinc/31/01/07/757310107.db2.gz DQLBPNWNYLVCNG-GHMZBOCLSA-N 1 1 196.294 1.789 10 30 ADEEMO C#CCC[N@H+]1C[C@H](OC)CC[C@@H]1C 687188457 757310681 /nfs/dbraw/zinc/31/06/81/757310681.db2.gz ARLPTTDLBFCDKC-WDEREUQCSA-N 1 1 181.279 1.509 10 30 ADEEMO C#CCCC[N@H+]1C[C@H](OC)CC[C@@H]1C 687190088 757310743 /nfs/dbraw/zinc/31/07/43/757310743.db2.gz SIPCHOAYZQIBAA-NWDGAFQWSA-N 1 1 195.306 1.899 10 30 ADEEMO CO[C@H]1CC[C@@H](C)[N@H+](CCC#N)C1 687208220 757311778 /nfs/dbraw/zinc/31/17/78/757311778.db2.gz DDVOQLRWFZPEHO-ZJUUUORDSA-N 1 1 182.267 1.399 10 30 ADEEMO CO[C@H]1CC[C@@H](C)[N@@H+](CCC#N)C1 687208220 757311790 /nfs/dbraw/zinc/31/17/90/757311790.db2.gz DDVOQLRWFZPEHO-ZJUUUORDSA-N 1 1 182.267 1.399 10 30 ADEEMO CO[C@@H]1CC[C@H](C)[N@H+](CCC#N)C1 687208218 757311964 /nfs/dbraw/zinc/31/19/64/757311964.db2.gz DDVOQLRWFZPEHO-VHSXEESVSA-N 1 1 182.267 1.399 10 30 ADEEMO CO[C@@H]1CC[C@H](C)[N@@H+](CCC#N)C1 687208218 757311978 /nfs/dbraw/zinc/31/19/78/757311978.db2.gz DDVOQLRWFZPEHO-VHSXEESVSA-N 1 1 182.267 1.399 10 30 ADEEMO CO[C@@H]1CC[C@@H](C)[N@H+](CCC#N)C1 687208212 757312023 /nfs/dbraw/zinc/31/20/23/757312023.db2.gz DDVOQLRWFZPEHO-NXEZZACHSA-N 1 1 182.267 1.399 10 30 ADEEMO CO[C@@H]1CC[C@@H](C)[N@@H+](CCC#N)C1 687208212 757312039 /nfs/dbraw/zinc/31/20/39/757312039.db2.gz DDVOQLRWFZPEHO-NXEZZACHSA-N 1 1 182.267 1.399 10 30 ADEEMO C#CCC[N@H+]1C[C@H](OC)CC[C@H]1C 687188454 757312340 /nfs/dbraw/zinc/31/23/40/757312340.db2.gz ARLPTTDLBFCDKC-GHMZBOCLSA-N 1 1 181.279 1.509 10 30 ADEEMO CO[C@H]1CC[C@H](C)[N@@H+](CCCC#N)C1 687208438 757312760 /nfs/dbraw/zinc/31/27/60/757312760.db2.gz DQLBPNWNYLVCNG-QWRGUYRKSA-N 1 1 196.294 1.789 10 30 ADEEMO C#CCCC[N@H+]1C[C@H](OC)CC[C@H]1C 687190090 757313451 /nfs/dbraw/zinc/31/34/51/757313451.db2.gz SIPCHOAYZQIBAA-VXGBXAGGSA-N 1 1 195.306 1.899 10 30 ADEEMO CO[C@H]1CC[C@H](C)[N@H+](CCC#N)C1 687208217 757313779 /nfs/dbraw/zinc/31/37/79/757313779.db2.gz DDVOQLRWFZPEHO-UWVGGRQHSA-N 1 1 182.267 1.399 10 30 ADEEMO CO[C@H]1CC[C@H](C)[N@@H+](CCC#N)C1 687208217 757313789 /nfs/dbraw/zinc/31/37/89/757313789.db2.gz DDVOQLRWFZPEHO-UWVGGRQHSA-N 1 1 182.267 1.399 10 30 ADEEMO C#CCCC[N@H+]1C[C@@H](OC)CC[C@@H]1C 687190089 757313901 /nfs/dbraw/zinc/31/39/01/757313901.db2.gz SIPCHOAYZQIBAA-RYUDHWBXSA-N 1 1 195.306 1.899 10 30 ADEEMO C#CCC[N@H+]1C[C@@H](OC)CC[C@@H]1C 687188456 757313947 /nfs/dbraw/zinc/31/39/47/757313947.db2.gz ARLPTTDLBFCDKC-QWRGUYRKSA-N 1 1 181.279 1.509 10 30 ADEEMO CO[C@H]1CC[C@@H](C)[N@@H+](CCCC#N)C1 687208437 757314553 /nfs/dbraw/zinc/31/45/53/757314553.db2.gz DQLBPNWNYLVCNG-MNOVXSKESA-N 1 1 196.294 1.789 10 30 ADEEMO CO[C@@H]1CC[C@H](C)[N@@H+](CCCC#N)C1 687208439 757314802 /nfs/dbraw/zinc/31/48/02/757314802.db2.gz DQLBPNWNYLVCNG-WDEREUQCSA-N 1 1 196.294 1.789 10 30 ADEEMO C#CCC[N@H+]1C[C@@H](OC)CC[C@H]1C 687188455 757315456 /nfs/dbraw/zinc/31/54/56/757315456.db2.gz ARLPTTDLBFCDKC-MNOVXSKESA-N 1 1 181.279 1.509 10 30 ADEEMO C#CCCC[N@H+]1C[C@@H](OC)CC[C@H]1C 687190087 757316364 /nfs/dbraw/zinc/31/63/64/757316364.db2.gz SIPCHOAYZQIBAA-NEPJUHHUSA-N 1 1 195.306 1.899 10 30 ADEEMO C[N@H+]1C[C@@H]2CC[C@H](C1)N2CCCC#N 687262604 757316507 /nfs/dbraw/zinc/31/65/07/757316507.db2.gz MABMFSVCZJUREZ-PHIMTYICSA-N 1 1 193.294 1.069 10 30 ADEEMO CC[C@@H](C)C[N@@H+](C)CC/C(N)=N/O 37173308 572103360 /nfs/dbraw/zinc/10/33/60/572103360.db2.gz FUQZMZNUICPPDL-MRVPVSSYSA-N 1 1 187.287 1.101 10 30 ADEEMO CC(C)[N@@H+](C)[C@@H](C)C[C@](C)(N)C#N 82793795 572113526 /nfs/dbraw/zinc/11/35/26/572113526.db2.gz VMHXXNCXMHRBSG-UWVGGRQHSA-N 1 1 183.299 1.346 10 30 ADEEMO C[C@H]1CCC[N@@H+]1[C@@H](C)C[C@](C)(N)C#N 82793231 572113547 /nfs/dbraw/zinc/11/35/47/572113547.db2.gz CHICIEWZQWQKIY-DCAQKATOSA-N 1 1 195.310 1.490 10 30 ADEEMO C#CC[N@@H+](C)CCC1CCC1 688629850 757335163 /nfs/dbraw/zinc/33/51/63/757335163.db2.gz FDPSQHODHCFPSZ-UHFFFAOYSA-N 1 1 151.253 1.742 10 30 ADEEMO C#CCCC[N@@H+]1CCC[C@@H](F)C1 689379025 757340273 /nfs/dbraw/zinc/34/02/73/757340273.db2.gz BNTHNXNYEULUPN-SNVBAGLBSA-N 1 1 169.243 1.834 10 30 ADEEMO C#CCC[N@@H+]1CCC[C@@H](F)C1 689379443 757340509 /nfs/dbraw/zinc/34/05/09/757340509.db2.gz GBWCOFUSMBDZKM-SECBINFHSA-N 1 1 155.216 1.444 10 30 ADEEMO C#CCC[N@@H+]1CCC[C@H](F)C1 689379444 757341289 /nfs/dbraw/zinc/34/12/89/757341289.db2.gz GBWCOFUSMBDZKM-VIFPVBQESA-N 1 1 155.216 1.444 10 30 ADEEMO C#CCCC[N@H+]1C[C@H](C)O[C@H](CC)C1 689065177 757341365 /nfs/dbraw/zinc/34/13/65/757341365.db2.gz BLGMKDWYVMSYDF-NWDGAFQWSA-N 1 1 195.306 1.899 10 30 ADEEMO C#CCCC[N@H+]1C[C@@H](C)O[C@H](CC)C1 689065179 757341959 /nfs/dbraw/zinc/34/19/59/757341959.db2.gz BLGMKDWYVMSYDF-VXGBXAGGSA-N 1 1 195.306 1.899 10 30 ADEEMO C#CCCC[N@@H+]1C[C@H](CC)O[C@H](C)C1 689065176 757343294 /nfs/dbraw/zinc/34/32/94/757343294.db2.gz BLGMKDWYVMSYDF-NEPJUHHUSA-N 1 1 195.306 1.899 10 30 ADEEMO C#CC[N@H+](CCC(=O)OCC)C(C)C 688804943 757343972 /nfs/dbraw/zinc/34/39/72/757343972.db2.gz GMXPKZMTYVVZPG-UHFFFAOYSA-N 1 1 197.278 1.283 10 30 ADEEMO C#CCCC[N@@H+]1CCC[C@H](F)C1 689379024 757345079 /nfs/dbraw/zinc/34/50/79/757345079.db2.gz BNTHNXNYEULUPN-JTQLQIEISA-N 1 1 169.243 1.834 10 30 ADEEMO C#CC[N@@H+]1CCC[C@@H](CCF)C1 689382283 757345679 /nfs/dbraw/zinc/34/56/79/757345679.db2.gz YYMYDAUYDVAUMJ-JTQLQIEISA-N 1 1 169.243 1.691 10 30 ADEEMO C#CC[N@@H+]1CCC[C@H](CCF)C1 689382284 757346056 /nfs/dbraw/zinc/34/60/56/757346056.db2.gz YYMYDAUYDVAUMJ-SNVBAGLBSA-N 1 1 169.243 1.691 10 30 ADEEMO C#CCCC[N@H+]1C[C@H](C)O[C@@H](CC)C1 689065178 757346613 /nfs/dbraw/zinc/34/66/13/757346613.db2.gz BLGMKDWYVMSYDF-RYUDHWBXSA-N 1 1 195.306 1.899 10 30 ADEEMO C#CCCC[N@H+]1CC[C@@H]2COC[C@H]2C1 690317127 757348609 /nfs/dbraw/zinc/34/86/09/757348609.db2.gz SYCGNNCLMOSQIZ-VXGBXAGGSA-N 1 1 193.290 1.368 10 30 ADEEMO N#CCCC[N@H+]1CCC[C@@H](F)C1 689866524 757349985 /nfs/dbraw/zinc/34/99/85/757349985.db2.gz DGBPITSCXJSLDP-SECBINFHSA-N 1 1 170.231 1.724 10 30 ADEEMO N#CCCC[N@@H+]1CCC[C@@H](F)C1 689866524 757350000 /nfs/dbraw/zinc/35/00/00/757350000.db2.gz DGBPITSCXJSLDP-SECBINFHSA-N 1 1 170.231 1.724 10 30 ADEEMO C#CCCC[N@H+]1CC[C@H]2COC[C@@H]2C1 690317116 757350493 /nfs/dbraw/zinc/35/04/93/757350493.db2.gz SYCGNNCLMOSQIZ-RYUDHWBXSA-N 1 1 193.290 1.368 10 30 ADEEMO C#CCCC[N@H+]1CC[C@H]2COC[C@H]2C1 690317113 757352784 /nfs/dbraw/zinc/35/27/84/757352784.db2.gz SYCGNNCLMOSQIZ-NWDGAFQWSA-N 1 1 193.290 1.368 10 30 ADEEMO N#CCCC[N@H+]1CCC[C@H](F)C1 689866525 757353530 /nfs/dbraw/zinc/35/35/30/757353530.db2.gz DGBPITSCXJSLDP-VIFPVBQESA-N 1 1 170.231 1.724 10 30 ADEEMO N#CCCC[N@@H+]1CCC[C@H](F)C1 689866525 757353538 /nfs/dbraw/zinc/35/35/38/757353538.db2.gz DGBPITSCXJSLDP-VIFPVBQESA-N 1 1 170.231 1.724 10 30 ADEEMO C#CCCC[N@H+]1CC[C@@H]2COC[C@@H]2C1 690317103 757353821 /nfs/dbraw/zinc/35/38/21/757353821.db2.gz SYCGNNCLMOSQIZ-NEPJUHHUSA-N 1 1 193.290 1.368 10 30 ADEEMO C#CC[N@H+](CCCO)C(C)(C)C 691049878 757355643 /nfs/dbraw/zinc/35/56/43/757355643.db2.gz LJVLMNXLEIVCEH-UHFFFAOYSA-N 1 1 169.268 1.103 10 30 ADEEMO N#CCC[NH2+]CCOC1CCC1 691028359 757356050 /nfs/dbraw/zinc/35/60/50/757356050.db2.gz BFGMCKHJFLFEGJ-UHFFFAOYSA-N 1 1 168.240 1.059 10 30 ADEEMO C=C(C[N@@H+](C)C1CC1)C(=O)OCC 69907529 572157462 /nfs/dbraw/zinc/15/74/62/572157462.db2.gz HSJWRHZKIHJFRO-UHFFFAOYSA-N 1 1 183.251 1.200 10 30 ADEEMO C=C(C[N@H+]1CC[C@H](C)C1)C(=O)OCC 69907663 572157494 /nfs/dbraw/zinc/15/74/94/572157494.db2.gz RFMVLEOBNNQPNU-VIFPVBQESA-N 1 1 197.278 1.448 10 30 ADEEMO C=C(C)C[N@H+](CC)C[C@]1(N)CCOC1 82986412 572161731 /nfs/dbraw/zinc/16/17/31/572161731.db2.gz JXPXFDZQDMSVFJ-LLVKDONJSA-N 1 1 198.310 1.002 10 30 ADEEMO C=C(C)CN(CC)C[C@]1([NH3+])CCOC1 82986412 572161734 /nfs/dbraw/zinc/16/17/34/572161734.db2.gz JXPXFDZQDMSVFJ-LLVKDONJSA-N 1 1 198.310 1.002 10 30 ADEEMO C#CC[NH2+]Cc1ccn(C(C)C)n1 82866342 572161807 /nfs/dbraw/zinc/16/18/07/572161807.db2.gz NIQNHLQWVDUANH-UHFFFAOYSA-N 1 1 177.251 1.187 10 30 ADEEMO C#CC[NH2+]Cc1ccn([C@@H](C)CC)n1 82867307 572161810 /nfs/dbraw/zinc/16/18/10/572161810.db2.gz LCAWIRYRKAXVQD-JTQLQIEISA-N 1 1 191.278 1.577 10 30 ADEEMO C#CCCC[N@@H+](CC=C)[C@H](C)COC 691812213 757364286 /nfs/dbraw/zinc/36/42/86/757364286.db2.gz CBDAROZILFXUPL-GFCCVEGCSA-N 1 1 195.306 1.923 10 30 ADEEMO C=CCOCCC[NH2+]Cc1c[nH]cn1 691832618 757364535 /nfs/dbraw/zinc/36/45/35/757364535.db2.gz URIMCKCCKIAYKU-UHFFFAOYSA-N 1 1 195.266 1.092 10 30 ADEEMO CCCc1[nH+]ccn1C[C@@](C)(N)C#N 69964533 572162815 /nfs/dbraw/zinc/16/28/15/572162815.db2.gz RPOWKDWSOLTJQF-JTQLQIEISA-N 1 1 192.266 1.077 10 30 ADEEMO C#CCCC[N@@H+](CC=C)[C@@H](C)COC 691812216 757366341 /nfs/dbraw/zinc/36/63/41/757366341.db2.gz CBDAROZILFXUPL-LBPRGKRZSA-N 1 1 195.306 1.923 10 30 ADEEMO C[C@H]1[C@H](C#N)CC[C@@H](C)[N@@H+]1C 74343247 572676411 /nfs/dbraw/zinc/67/64/11/572676411.db2.gz GJUCFZDFTRXKDP-VGMNWLOBSA-N 1 1 152.241 1.629 10 30 ADEEMO C#CC[N@H+](C)C[C@H](OC)C1CCC1 692196490 757368610 /nfs/dbraw/zinc/36/86/10/757368610.db2.gz HNKRLWIXTLEKSI-NSHDSACASA-N 1 1 181.279 1.367 10 30 ADEEMO C#CCC[N@@H+]1CCO[C@@H](CCF)C1 692013684 757368889 /nfs/dbraw/zinc/36/88/89/757368889.db2.gz MKSSVSATMWWAIV-JTQLQIEISA-N 1 1 185.242 1.070 10 30 ADEEMO C#CCC[N@H+]1CCO[C@@H](CCF)C1 692013684 757368900 /nfs/dbraw/zinc/36/89/00/757368900.db2.gz MKSSVSATMWWAIV-JTQLQIEISA-N 1 1 185.242 1.070 10 30 ADEEMO C#CCC[N@@H+]1CCO[C@H](CCF)C1 692013687 757370408 /nfs/dbraw/zinc/37/04/08/757370408.db2.gz MKSSVSATMWWAIV-SNVBAGLBSA-N 1 1 185.242 1.070 10 30 ADEEMO C#CCC[N@H+]1CCO[C@H](CCF)C1 692013687 757370421 /nfs/dbraw/zinc/37/04/21/757370421.db2.gz MKSSVSATMWWAIV-SNVBAGLBSA-N 1 1 185.242 1.070 10 30 ADEEMO C[C@@H]1[C@H](C#N)CC[N@H+]1C1CC1 18566273 572164209 /nfs/dbraw/zinc/16/42/09/572164209.db2.gz KMRCYIWZXCSZPP-SFYZADRCSA-N 1 1 150.225 1.383 10 30 ADEEMO C#CCCC[N@H+]1CCO[C@@H](CCF)C1 692013613 757371663 /nfs/dbraw/zinc/37/16/63/757371663.db2.gz JXJKCDFEHCHTHE-NSHDSACASA-N 1 1 199.269 1.460 10 30 ADEEMO C#CC[N@H+](C)C[C@@H](OC)C1CCC1 692196488 757372720 /nfs/dbraw/zinc/37/27/20/757372720.db2.gz HNKRLWIXTLEKSI-LLVKDONJSA-N 1 1 181.279 1.367 10 30 ADEEMO C#CCCC[N@H+]1CCO[C@H](CCF)C1 692013606 757374615 /nfs/dbraw/zinc/37/46/15/757374615.db2.gz JXJKCDFEHCHTHE-LLVKDONJSA-N 1 1 199.269 1.460 10 30 ADEEMO C1CC[C@H]2OCC[N@H+](C[C@@H]3CO3)[C@H]2C1 43425271 572173773 /nfs/dbraw/zinc/17/37/73/572173773.db2.gz WWEGGAVZAAWEIZ-OUAUKWLOSA-N 1 1 197.278 1.029 10 30 ADEEMO C1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2C[C@@H]1CO1 43425269 572173786 /nfs/dbraw/zinc/17/37/86/572173786.db2.gz WWEGGAVZAAWEIZ-GMTAPVOTSA-N 1 1 197.278 1.029 10 30 ADEEMO C#CC[N@@H+]1CCC[C@@H]2[C@H](O)C(C)(C)[C@@H]21 693064515 757381352 /nfs/dbraw/zinc/38/13/52/757381352.db2.gz IRMJKLUOYPBKKV-AXFHLTTASA-N 1 1 193.290 1.101 10 30 ADEEMO C=CC[N@@H+]1CCC[C@@H]2[C@H](O)C(C)(C)[C@@H]21 693096125 757383070 /nfs/dbraw/zinc/38/30/70/757383070.db2.gz BDMFHSNKJOMUNL-AXFHLTTASA-N 1 1 195.306 1.654 10 30 ADEEMO C[C@H](C#N)N[C@H]1CC[N@H+]2CCCC[C@H]12 43515550 572195210 /nfs/dbraw/zinc/19/52/10/572195210.db2.gz NKSFQOQOWFQMOS-OUAUKWLOSA-N 1 1 193.294 1.115 10 30 ADEEMO C#CC[N@@H+](CC)Cc1cnn(CC)c1 693296130 757386732 /nfs/dbraw/zinc/38/67/32/757386732.db2.gz GAGCQLMOFMQNPJ-UHFFFAOYSA-N 1 1 191.278 1.358 10 30 ADEEMO C#CC[N@H+](CC)Cc1cnn(CC)c1 693296130 757386741 /nfs/dbraw/zinc/38/67/41/757386741.db2.gz GAGCQLMOFMQNPJ-UHFFFAOYSA-N 1 1 191.278 1.358 10 30 ADEEMO C[C@H]([NH2+]C/C(N)=N/O)c1ccccc1 70199698 572195413 /nfs/dbraw/zinc/19/54/13/572195413.db2.gz LGHVKIMRCICPLR-QMMMGPOBSA-N 1 1 193.250 1.084 10 30 ADEEMO CC(=O)CC[N@@H+]1CC[C@@](C)(C#N)C1 693972936 757397902 /nfs/dbraw/zinc/39/79/02/757397902.db2.gz GSAUZWRFXIJGSK-JTQLQIEISA-N 1 1 180.251 1.201 10 30 ADEEMO CC(=O)CC[N@H+]1CC[C@@](C)(C#N)C1 693972936 757397913 /nfs/dbraw/zinc/39/79/13/757397913.db2.gz GSAUZWRFXIJGSK-JTQLQIEISA-N 1 1 180.251 1.201 10 30 ADEEMO CC(=O)CC[N@@H+]1CC[C@](C)(C#N)C1 693972939 757398682 /nfs/dbraw/zinc/39/86/82/757398682.db2.gz GSAUZWRFXIJGSK-SNVBAGLBSA-N 1 1 180.251 1.201 10 30 ADEEMO CC(=O)CC[N@H+]1CC[C@](C)(C#N)C1 693972939 757398688 /nfs/dbraw/zinc/39/86/88/757398688.db2.gz GSAUZWRFXIJGSK-SNVBAGLBSA-N 1 1 180.251 1.201 10 30 ADEEMO C=CCC[C@@H](O)C[N@@H+](C)CC=C 393353260 572208160 /nfs/dbraw/zinc/20/81/60/572208160.db2.gz BMAWQPBEANNDJH-SNVBAGLBSA-N 1 1 169.268 1.431 10 30 ADEEMO C=C(CC)C[N@H+]1CCOC[C@H]1CCO 694951216 757401663 /nfs/dbraw/zinc/40/16/63/757401663.db2.gz VIGYWPFKGXUIGI-LLVKDONJSA-N 1 1 199.294 1.036 10 30 ADEEMO C=CCCC[N@@H+]1CCOC[C@@H]1CCO 694949466 757401841 /nfs/dbraw/zinc/40/18/41/757401841.db2.gz BSHHFVMIYJGIEO-NSHDSACASA-N 1 1 199.294 1.036 10 30 ADEEMO C=C(C)CC[N@H+]1CCOC[C@@H]1CCO 694950538 757402085 /nfs/dbraw/zinc/40/20/85/757402085.db2.gz MNWUPCWKBBZJHK-NSHDSACASA-N 1 1 199.294 1.036 10 30 ADEEMO C=C(CC)C[N@H+]1CCOC[C@@H]1CCO 694951218 757402221 /nfs/dbraw/zinc/40/22/21/757402221.db2.gz VIGYWPFKGXUIGI-NSHDSACASA-N 1 1 199.294 1.036 10 30 ADEEMO C#CCCC[N@@H+]1CC[C@@](C)(C#N)C1 694573993 757404162 /nfs/dbraw/zinc/40/41/62/757404162.db2.gz YUBUBRXCGMDYQT-NSHDSACASA-N 1 1 176.263 1.635 10 30 ADEEMO C=C(C)CC[N@H+]1CCOC[C@H]1CCO 694950535 757404303 /nfs/dbraw/zinc/40/43/03/757404303.db2.gz MNWUPCWKBBZJHK-LLVKDONJSA-N 1 1 199.294 1.036 10 30 ADEEMO C=CCCC[N@@H+]1CCOC[C@H]1CCO 694949465 757404513 /nfs/dbraw/zinc/40/45/13/757404513.db2.gz BSHHFVMIYJGIEO-LLVKDONJSA-N 1 1 199.294 1.036 10 30 ADEEMO C#CCCC[N@@H+]1CC[C@](C)(C#N)C1 694573992 757407213 /nfs/dbraw/zinc/40/72/13/757407213.db2.gz YUBUBRXCGMDYQT-LLVKDONJSA-N 1 1 176.263 1.635 10 30 ADEEMO C#CCC[N@H+]1CCO[C@](C)(C2CC2)C1 695292306 757411823 /nfs/dbraw/zinc/41/18/23/757411823.db2.gz SZDNXHJLNKIYQL-LBPRGKRZSA-N 1 1 193.290 1.511 10 30 ADEEMO C#CCC[N@H+]1CCO[C@@](C)(C2CC2)C1 695292304 757413369 /nfs/dbraw/zinc/41/33/69/757413369.db2.gz SZDNXHJLNKIYQL-GFCCVEGCSA-N 1 1 193.290 1.511 10 30 ADEEMO C#CCCC[N@H+]1CCO[C@H](C2CC2)C1 695291132 757414051 /nfs/dbraw/zinc/41/40/51/757414051.db2.gz LINTWCCEPBDEFG-LBPRGKRZSA-N 1 1 193.290 1.511 10 30 ADEEMO C#CCC[N@H+]1C[C@@H]2CCC[C@H]21 687797547 572225033 /nfs/dbraw/zinc/22/50/33/572225033.db2.gz OGHDOGSHVSQSRZ-VHSXEESVSA-N 1 1 149.237 1.494 10 30 ADEEMO C#CCCC[N@H+]1CCO[C@@H](C2CC2)C1 695291131 757416460 /nfs/dbraw/zinc/41/64/60/757416460.db2.gz LINTWCCEPBDEFG-GFCCVEGCSA-N 1 1 193.290 1.511 10 30 ADEEMO CC[C@H](/C(N)=N/O)[N@@H+](C)[C@@H](C)C1CC1 43539841 572236643 /nfs/dbraw/zinc/23/66/43/572236643.db2.gz WQMGMXCPISDFMI-IONNQARKSA-N 1 1 199.298 1.242 10 30 ADEEMO CCC[C@H](C)[N@@H+](C)[C@@H](C)/C(N)=N/O 43516034 572236655 /nfs/dbraw/zinc/23/66/55/572236655.db2.gz MWBQSZJPLMOUIP-YUMQZZPRSA-N 1 1 187.287 1.242 10 30 ADEEMO CCCC[N@@H+](CC)[C@@H](C)/C(N)=N/O 43515834 572237054 /nfs/dbraw/zinc/23/70/54/572237054.db2.gz FVWRHRZYMSONNH-QMMMGPOBSA-N 1 1 187.287 1.243 10 30 ADEEMO O=C[C@@H]1CCC[N@H+](CCCF)C1 88026863 572933326 /nfs/dbraw/zinc/93/33/26/572933326.db2.gz NYOWBDDILKXURJ-SECBINFHSA-N 1 1 173.231 1.257 10 30 ADEEMO C#CCC[N@H+](C)CC1=CCCOC1 696907356 757423329 /nfs/dbraw/zinc/42/33/29/757423329.db2.gz HQBREQAXYIMFPC-UHFFFAOYSA-N 1 1 179.263 1.288 10 30 ADEEMO C#CCCC[N@H+](CCF)CCOC 697316324 757425783 /nfs/dbraw/zinc/42/57/83/757425783.db2.gz IJYFGGXBPYYBAL-UHFFFAOYSA-N 1 1 187.258 1.318 10 30 ADEEMO CCC[C@@H](C)[N@@H+](C)[C@@H](C)/C(N)=N/O 43516033 572237571 /nfs/dbraw/zinc/23/75/71/572237571.db2.gz MWBQSZJPLMOUIP-SFYZADRCSA-N 1 1 187.287 1.242 10 30 ADEEMO C=CCCC[NH2+]C[C@H]1CCN(C)C1 70591697 572239730 /nfs/dbraw/zinc/23/97/30/572239730.db2.gz NGLSIUMTLODADZ-LLVKDONJSA-N 1 1 182.311 1.494 10 30 ADEEMO C#CCCC[N@@H+]1C[C@H](C)[C@@H](O)[C@H](C)C1 697231625 757427991 /nfs/dbraw/zinc/42/79/91/757427991.db2.gz FESVQVGNNFAQAX-GDNZZTSVSA-N 1 1 195.306 1.349 10 30 ADEEMO CC[C@H](/C(N)=N/O)[N@@H+](C)C1CCCC1 43539703 572240828 /nfs/dbraw/zinc/24/08/28/572240828.db2.gz HWTCUEOPZKRUNM-SECBINFHSA-N 1 1 199.298 1.386 10 30 ADEEMO C#C[C@@]1(O)CC[N@H+](C[C@H](C)CC)C1 307001229 572333255 /nfs/dbraw/zinc/33/32/55/572333255.db2.gz BBZQUMGUCQTSDC-GHMZBOCLSA-N 1 1 181.279 1.103 10 30 ADEEMO C=CC[NH2+][C@@H](CN)c1ccc(C)cc1 83759341 572388724 /nfs/dbraw/zinc/38/87/24/572388724.db2.gz SMEOLRZPIDICGZ-LBPRGKRZSA-N 1 1 190.290 1.770 10 30 ADEEMO CCC[N@H+]1CCCC(N=N)CC1 320002770 572937055 /nfs/dbraw/zinc/93/70/55/572937055.db2.gz NVMHFGNQPMUFLR-UHFFFAOYSA-N 1 1 169.272 1.197 10 30 ADEEMO C#CC[N@H+](C)C[C@H]1C[C@@H]2C[C@@H]2C1 697868082 757435496 /nfs/dbraw/zinc/43/54/96/757435496.db2.gz NBYUYJGWLYVRLV-JGPRNRPPSA-N 1 1 163.264 1.598 10 30 ADEEMO C=C(C)CC[N@@H+]1CCN[C@@H](C)[C@H]1C 307239054 572417101 /nfs/dbraw/zinc/41/71/01/572417101.db2.gz PDEPMTVFXPVCAX-WDEREUQCSA-N 1 1 182.311 1.635 10 30 ADEEMO C=C(C)CCN1CC[NH2+][C@@H](C)[C@H]1C 307239054 572417104 /nfs/dbraw/zinc/41/71/04/572417104.db2.gz PDEPMTVFXPVCAX-WDEREUQCSA-N 1 1 182.311 1.635 10 30 ADEEMO C=C1C[N@H+]2CCCC[C@H]2CN1C(C)=O 307273824 572417112 /nfs/dbraw/zinc/41/71/12/572417112.db2.gz XHBWEMPXAUOPEQ-NSHDSACASA-N 1 1 194.278 1.217 10 30 ADEEMO C=C1C[N@@H+]2CCCC[C@H]2CN1C(C)=O 307273824 572417115 /nfs/dbraw/zinc/41/71/15/572417115.db2.gz XHBWEMPXAUOPEQ-NSHDSACASA-N 1 1 194.278 1.217 10 30 ADEEMO C#CCCC[N@@H+](CCC#C)CCOC 697804293 757439026 /nfs/dbraw/zinc/43/90/26/757439026.db2.gz FSBCPUSYZHBUGS-UHFFFAOYSA-N 1 1 193.290 1.372 10 30 ADEEMO CCCC[C@]([NH3+])(C#N)CC 68988432 572460937 /nfs/dbraw/zinc/46/09/37/572460937.db2.gz MSVRGJUYHVLBGN-QMMMGPOBSA-N 1 1 140.230 1.808 10 30 ADEEMO CCN1[C@@H](C)CC[N@@H+](C)C[C@H]1CC#N 250352107 572481419 /nfs/dbraw/zinc/48/14/19/572481419.db2.gz RMPPBOBLJNYRAD-WDEREUQCSA-N 1 1 195.310 1.315 10 30 ADEEMO CC(C)[C@@H]1CCC[N@H+]1CC/C(N)=N/O 84126738 572497301 /nfs/dbraw/zinc/49/73/01/572497301.db2.gz VPWDMNBYVUBVJX-VIFPVBQESA-N 1 1 199.298 1.243 10 30 ADEEMO C[N@@H+](CC=O)CC(C)(C)C 45084678 572507215 /nfs/dbraw/zinc/50/72/15/572507215.db2.gz RIXKRYQIPRIRQO-UHFFFAOYSA-N 1 1 143.230 1.163 10 30 ADEEMO C=CC[N@H+](CC)[C@H]1CN(C)C[C@@H]1C 308501493 573100475 /nfs/dbraw/zinc/10/04/75/573100475.db2.gz XBBMJODWEJZZHB-QWRGUYRKSA-N 1 1 182.311 1.444 10 30 ADEEMO C=CCN(CC)[C@H]1C[N@H+](C)C[C@@H]1C 308501493 573100478 /nfs/dbraw/zinc/10/04/78/573100478.db2.gz XBBMJODWEJZZHB-QWRGUYRKSA-N 1 1 182.311 1.444 10 30 ADEEMO C[C@@H](C#N)c1cnc(CC[NH+](C)C)[nH]1 74268656 572518892 /nfs/dbraw/zinc/51/88/92/572518892.db2.gz GCBIPWMVGNQKTB-QMMMGPOBSA-N 1 1 192.266 1.141 10 30 ADEEMO C=CCN(CC)[C@H]1C[N@@H+](C)C[C@@H]1C 308501493 573100485 /nfs/dbraw/zinc/10/04/85/573100485.db2.gz XBBMJODWEJZZHB-QWRGUYRKSA-N 1 1 182.311 1.444 10 30 ADEEMO C#CCCC[N@H+](C)Cc1cnccn1 699521312 757471547 /nfs/dbraw/zinc/47/15/47/757471547.db2.gz FGDBIIHYCVUHBA-UHFFFAOYSA-N 1 1 189.262 1.322 10 30 ADEEMO Cc1[nH]c2cc[nH+]cc2c1[C@@H](O)C=O 74275026 572537295 /nfs/dbraw/zinc/53/72/95/572537295.db2.gz NNMWHNIBQYTNPE-VIFPVBQESA-N 1 1 190.202 1.104 10 30 ADEEMO CN(C)C(=O)ONC1=[NH+]CCCCC1 238308314 573216687 /nfs/dbraw/zinc/21/66/87/573216687.db2.gz NVKWWDNGZIGIBY-UHFFFAOYSA-N 1 1 199.254 1.162 10 30 ADEEMO C[N@H+]1CCC[C@H](CC2(C#N)COC2)C1 259039101 573229288 /nfs/dbraw/zinc/22/92/88/573229288.db2.gz COJLLAGEEWJOLA-SNVBAGLBSA-N 1 1 194.278 1.258 10 30 ADEEMO C#CC[NH+](CC#C)CCCC(=O)CC 827949608 757498569 /nfs/dbraw/zinc/49/85/69/757498569.db2.gz QWDQXHWXTFBMPV-UHFFFAOYSA-N 1 1 191.274 1.314 10 30 ADEEMO C=C[C@]1(O)CC[N@H+](CCC)C1 306462992 572641365 /nfs/dbraw/zinc/64/13/65/572641365.db2.gz HJVCFFGYTXJJML-VIFPVBQESA-N 1 1 155.241 1.019 10 30 ADEEMO C[C@@H]1C[N@H+](C)C[C@@H](CCC#N)C1=O 251798687 572641377 /nfs/dbraw/zinc/64/13/77/572641377.db2.gz XTKSFEBHCGNACB-RKDXNWHRSA-N 1 1 180.251 1.057 10 30 ADEEMO C[C@@H]1C[N@@H+](C)C[C@@H](CCC#N)C1=O 251798687 572641381 /nfs/dbraw/zinc/64/13/81/572641381.db2.gz XTKSFEBHCGNACB-RKDXNWHRSA-N 1 1 180.251 1.057 10 30 ADEEMO C#CC(C)(C)[N@H+](C)Cc1cncs1 851986231 757503180 /nfs/dbraw/zinc/50/31/80/757503180.db2.gz GARFARIOLCQPHB-UHFFFAOYSA-N 1 1 194.303 1.987 10 30 ADEEMO C#CC(C)(C)[N@@H+](C)Cc1cncs1 851986231 757503195 /nfs/dbraw/zinc/50/31/95/757503195.db2.gz GARFARIOLCQPHB-UHFFFAOYSA-N 1 1 194.303 1.987 10 30 ADEEMO C#C[C@H](C)[NH2+][C@H]1C[C@@H](C)n2ccnc21 307620644 572659662 /nfs/dbraw/zinc/65/96/62/572659662.db2.gz FOGQQMRQZSBTLW-AEJSXWLSSA-N 1 1 189.262 1.500 10 30 ADEEMO C#CC(C)(C)[N@@H+](C)Cc1cn(C)cn1 851986100 757503567 /nfs/dbraw/zinc/50/35/67/757503567.db2.gz BLFMLXYHZAGYTM-UHFFFAOYSA-N 1 1 191.278 1.264 10 30 ADEEMO C#CC(C)(C)[N@H+](C)Cc1cn(C)cn1 851986100 757503578 /nfs/dbraw/zinc/50/35/78/757503578.db2.gz BLFMLXYHZAGYTM-UHFFFAOYSA-N 1 1 191.278 1.264 10 30 ADEEMO CC#CC[N@@H+](C)C[C@H]1COC(C)(C)O1 852093569 757504204 /nfs/dbraw/zinc/50/42/04/757504204.db2.gz ADIKVAQCHKFAEJ-JTQLQIEISA-N 1 1 197.278 1.093 10 30 ADEEMO CC#CC[N@@H+](C)C[C@@H]1COC(C)(C)O1 852093574 757504973 /nfs/dbraw/zinc/50/49/73/757504973.db2.gz ADIKVAQCHKFAEJ-SNVBAGLBSA-N 1 1 197.278 1.093 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CC[C@H](C(=O)NC)C1 878721395 757508517 /nfs/dbraw/zinc/50/85/17/757508517.db2.gz VKABTQOGZADVGU-ZJUUUORDSA-N 1 1 196.294 1.019 10 30 ADEEMO C=C(Cl)C[N@@H+]1C[C@@H](O)CC[C@@H]1C 306417978 572662427 /nfs/dbraw/zinc/66/24/27/572662427.db2.gz ZIFMOUYGDHBQPX-IUCAKERBSA-N 1 1 189.686 1.584 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@H](NC(C)=O)C1 878721105 757508656 /nfs/dbraw/zinc/50/86/56/757508656.db2.gz SJLIGLVWUIQXOX-ONGXEEELSA-N 1 1 196.294 1.161 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CC[C@@H](C(=O)NC)C1 878721392 757508726 /nfs/dbraw/zinc/50/87/26/757508726.db2.gz VKABTQOGZADVGU-NXEZZACHSA-N 1 1 196.294 1.019 10 30 ADEEMO C#C[C@H](C)[NH2+][C@@H]1C[C@@H](C)n2ccnc21 307620651 572662433 /nfs/dbraw/zinc/66/24/33/572662433.db2.gz FOGQQMRQZSBTLW-IVZWLZJFSA-N 1 1 189.262 1.500 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@H](C(=O)NC)C1 878721393 757509562 /nfs/dbraw/zinc/50/95/62/757509562.db2.gz VKABTQOGZADVGU-UWVGGRQHSA-N 1 1 196.294 1.019 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@@H](C(=O)NC)C1 878721394 757509633 /nfs/dbraw/zinc/50/96/33/757509633.db2.gz VKABTQOGZADVGU-VHSXEESVSA-N 1 1 196.294 1.019 10 30 ADEEMO C/C=C/C[N@H+]1CCC[C@@H](C=O)C1 54219197 572662527 /nfs/dbraw/zinc/66/25/27/572662527.db2.gz VQBXXQFFQVJDCO-VMZHVLLKSA-N 1 1 167.252 1.473 10 30 ADEEMO C#CC[N@H+]1CCCC[C@H]1C#C 885233654 757511998 /nfs/dbraw/zinc/51/19/98/757511998.db2.gz IPOQYVFDYLTTIJ-SNVBAGLBSA-N 1 1 147.221 1.107 10 30 ADEEMO C#CCC[N@H+]1CCCC[C@H]1C#C 885269454 757512527 /nfs/dbraw/zinc/51/25/27/757512527.db2.gz GCMNGICFMLWMQW-LLVKDONJSA-N 1 1 161.248 1.497 10 30 ADEEMO C#CC[N@H+]1CCCC[C@@H]1C#C 885233653 757513178 /nfs/dbraw/zinc/51/31/78/757513178.db2.gz IPOQYVFDYLTTIJ-JTQLQIEISA-N 1 1 147.221 1.107 10 30 ADEEMO C[C@]12CSC[C@H]1C[N@@H+](CCC#N)C2 885189564 757514327 /nfs/dbraw/zinc/51/43/27/757514327.db2.gz GYLJVNPOLFSTHU-ZJUUUORDSA-N 1 1 196.319 1.585 10 30 ADEEMO C#CC[N@H+](C)[C@@H](CC)C1CC1 307654199 572676563 /nfs/dbraw/zinc/67/65/63/572676563.db2.gz MHWZUXOWDQJZKI-JTQLQIEISA-N 1 1 151.253 1.740 10 30 ADEEMO C#CCC[N@H+]1CCCC[C@@H]1C#C 885269455 757515153 /nfs/dbraw/zinc/51/51/53/757515153.db2.gz GCMNGICFMLWMQW-NSHDSACASA-N 1 1 161.248 1.497 10 30 ADEEMO C#CCC[N@@H+]1C[C@@H]2CSC[C@]2(C)C1 885187839 757516149 /nfs/dbraw/zinc/51/61/49/757516149.db2.gz NOEQZJFYWPRAOB-MNOVXSKESA-N 1 1 195.331 1.695 10 30 ADEEMO C=CCCC[N@H+]1CCC2(C1)OCCO2 307675381 572679006 /nfs/dbraw/zinc/67/90/06/572679006.db2.gz DIJJZVNQHQHZQD-UHFFFAOYSA-N 1 1 197.278 1.401 10 30 ADEEMO C#CC[N@@H+]1C[C@@H]2CSC[C@]2(C)C1 885178379 757516280 /nfs/dbraw/zinc/51/62/80/757516280.db2.gz IGPASJIJMIPZNZ-ZJUUUORDSA-N 1 1 181.304 1.305 10 30 ADEEMO C=C[C@H](C)[N@H+]1CC[C@@](C)(CO)C1 307676226 572679025 /nfs/dbraw/zinc/67/90/25/572679025.db2.gz GXPIEUCBQMVDQM-VHSXEESVSA-N 1 1 169.268 1.265 10 30 ADEEMO C=CCCN1CCC[C@@]12CC[NH2+]C2 885387099 757517384 /nfs/dbraw/zinc/51/73/84/757517384.db2.gz PMIOOZCQVTVBEP-NSHDSACASA-N 1 1 180.295 1.390 10 30 ADEEMO C#CCCC[N@H+]1CCCC[C@H]1C#C 885352095 757518366 /nfs/dbraw/zinc/51/83/66/757518366.db2.gz MNZRPUCUQMBMKP-GFCCVEGCSA-N 1 1 175.275 1.888 10 30 ADEEMO C#CC[N@@H+]1CCOC[C@]1(C)C1CC1 885371475 757518597 /nfs/dbraw/zinc/51/85/97/757518597.db2.gz QRKPBJXAMVULTR-LLVKDONJSA-N 1 1 179.263 1.121 10 30 ADEEMO C#CCCC[N@H+]1CCCC[C@@H]1C#C 885352098 757519953 /nfs/dbraw/zinc/51/99/53/757519953.db2.gz MNZRPUCUQMBMKP-LBPRGKRZSA-N 1 1 175.275 1.888 10 30 ADEEMO C#CC[N@@H+]1CCCSC[C@@H]1C 885314429 757520359 /nfs/dbraw/zinc/52/03/59/757520359.db2.gz SCXJPGMISMLISH-VIFPVBQESA-N 1 1 169.293 1.447 10 30 ADEEMO C#CC[N@@H+]1CCOC[C@@]1(C)C1CC1 885371476 757521204 /nfs/dbraw/zinc/52/12/04/757521204.db2.gz QRKPBJXAMVULTR-NSHDSACASA-N 1 1 179.263 1.121 10 30 ADEEMO C=C(C)C[N@H+](C)[C@H](C)[C@H](C)O 307622610 572701233 /nfs/dbraw/zinc/70/12/33/572701233.db2.gz CTOFMSRPZLXICS-BDAKNGLRSA-N 1 1 157.257 1.264 10 30 ADEEMO C#CC[N@@H+]1CCCSC[C@H]1C 885314422 757524807 /nfs/dbraw/zinc/52/48/07/757524807.db2.gz SCXJPGMISMLISH-SECBINFHSA-N 1 1 169.293 1.447 10 30 ADEEMO C=CCCN1CCC[C@]12CC[NH2+]C2 885387098 757526394 /nfs/dbraw/zinc/52/63/94/757526394.db2.gz PMIOOZCQVTVBEP-LLVKDONJSA-N 1 1 180.295 1.390 10 30 ADEEMO C=C(CC)C[N@@H+]1CC[C@H](O)[C@@H](F)C1 885510568 757531126 /nfs/dbraw/zinc/53/11/26/757531126.db2.gz BUCTXAPZOQYRIE-UWVGGRQHSA-N 1 1 187.258 1.357 10 30 ADEEMO C=C(CC)C[N@H+]1CC[C@H](O)[C@@H](F)C1 885510568 757531158 /nfs/dbraw/zinc/53/11/58/757531158.db2.gz BUCTXAPZOQYRIE-UWVGGRQHSA-N 1 1 187.258 1.357 10 30 ADEEMO C#CCC[N@@H+]1CCCSC[C@@H]1C 885448877 757531225 /nfs/dbraw/zinc/53/12/25/757531225.db2.gz USLDNKMZGZYOGM-JTQLQIEISA-N 1 1 183.320 1.837 10 30 ADEEMO C=C(CC)C[N@@H+]1CC[C@H](O)[C@H](F)C1 885510571 757532481 /nfs/dbraw/zinc/53/24/81/757532481.db2.gz BUCTXAPZOQYRIE-ZJUUUORDSA-N 1 1 187.258 1.357 10 30 ADEEMO C=C(CC)C[N@H+]1CC[C@H](O)[C@H](F)C1 885510571 757532500 /nfs/dbraw/zinc/53/25/00/757532500.db2.gz BUCTXAPZOQYRIE-ZJUUUORDSA-N 1 1 187.258 1.357 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@H](O)[C@@H](F)C1 885510634 757536560 /nfs/dbraw/zinc/53/65/60/757536560.db2.gz MEJFCBJMTVEVIX-GUBZILKMSA-N 1 1 187.258 1.356 10 30 ADEEMO C[C@@H]1CSCCC[N@@H+]1CCC#N 885464990 757536874 /nfs/dbraw/zinc/53/68/74/757536874.db2.gz DBHKIRAUBKOZOC-SECBINFHSA-N 1 1 184.308 1.727 10 30 ADEEMO C[C@@H]1CSCCC[N@H+]1CCC#N 885464990 757536899 /nfs/dbraw/zinc/53/68/99/757536899.db2.gz DBHKIRAUBKOZOC-SECBINFHSA-N 1 1 184.308 1.727 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@H](O)[C@H](F)C1 885510633 757537427 /nfs/dbraw/zinc/53/74/27/757537427.db2.gz MEJFCBJMTVEVIX-AEJSXWLSSA-N 1 1 187.258 1.356 10 30 ADEEMO C=CC[C@@H](C)[N@H+](C)[C@H]1CCCNC1 714996279 573692967 /nfs/dbraw/zinc/69/29/67/573692967.db2.gz PCUQVEMZPRFIHV-MNOVXSKESA-N 1 1 182.311 1.635 10 30 ADEEMO N#C[C@@H]1CCC[N@@H+]1C1CCCC1 70662406 572720796 /nfs/dbraw/zinc/72/07/96/572720796.db2.gz NGLCSTPXLKBBHL-JTQLQIEISA-N 1 1 164.252 1.917 10 30 ADEEMO N#C[C@@H]1CCC[N@H+]1C1CCCC1 70662406 572720798 /nfs/dbraw/zinc/72/07/98/572720798.db2.gz NGLCSTPXLKBBHL-JTQLQIEISA-N 1 1 164.252 1.917 10 30 ADEEMO C=C(C)CC[N@H+]1CC[C@H](O)[C@H](F)C1 885510620 757538451 /nfs/dbraw/zinc/53/84/51/757538451.db2.gz JQDCGBITHDQIQV-ZJUUUORDSA-N 1 1 187.258 1.357 10 30 ADEEMO C=C(CC)C[N@@H+]1CC[C@@H](O)[C@H](F)C1 885510566 757538716 /nfs/dbraw/zinc/53/87/16/757538716.db2.gz BUCTXAPZOQYRIE-NXEZZACHSA-N 1 1 187.258 1.357 10 30 ADEEMO C=C(CC)C[N@H+]1CC[C@@H](O)[C@H](F)C1 885510566 757538742 /nfs/dbraw/zinc/53/87/42/757538742.db2.gz BUCTXAPZOQYRIE-NXEZZACHSA-N 1 1 187.258 1.357 10 30 ADEEMO C#CCC[N@@H+]1CCCSC[C@H]1C 885448879 757539123 /nfs/dbraw/zinc/53/91/23/757539123.db2.gz USLDNKMZGZYOGM-SNVBAGLBSA-N 1 1 183.320 1.837 10 30 ADEEMO C=C(C)CC[N@H+]1CC[C@H](O)[C@@H](F)C1 885510618 757539286 /nfs/dbraw/zinc/53/92/86/757539286.db2.gz JQDCGBITHDQIQV-UWVGGRQHSA-N 1 1 187.258 1.357 10 30 ADEEMO C=C(CC)C[N@@H+]1CC[C@@H](O)[C@@H](F)C1 885510570 757540974 /nfs/dbraw/zinc/54/09/74/757540974.db2.gz BUCTXAPZOQYRIE-VHSXEESVSA-N 1 1 187.258 1.357 10 30 ADEEMO C=C(CC)C[N@H+]1CC[C@@H](O)[C@@H](F)C1 885510570 757540989 /nfs/dbraw/zinc/54/09/89/757540989.db2.gz BUCTXAPZOQYRIE-VHSXEESVSA-N 1 1 187.258 1.357 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@@H](O)[C@@H](F)C1 885510636 757541641 /nfs/dbraw/zinc/54/16/41/757541641.db2.gz MEJFCBJMTVEVIX-LPEHRKFASA-N 1 1 187.258 1.356 10 30 ADEEMO CC(C)[C@H]1CCCC[N@H+]1CC=O 108288322 573736015 /nfs/dbraw/zinc/73/60/15/573736015.db2.gz YQDQRPUQOSGQOB-SNVBAGLBSA-N 1 1 169.268 1.696 10 30 ADEEMO C=C(C)CC[N@H+]1CC[C@@H](O)[C@H](F)C1 885510617 757542157 /nfs/dbraw/zinc/54/21/57/757542157.db2.gz JQDCGBITHDQIQV-NXEZZACHSA-N 1 1 187.258 1.357 10 30 ADEEMO C=C(C)CC[N@H+]1CC[C@@H](O)[C@@H](F)C1 885510619 757543253 /nfs/dbraw/zinc/54/32/53/757543253.db2.gz JQDCGBITHDQIQV-VHSXEESVSA-N 1 1 187.258 1.357 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@@H](O)[C@H](F)C1 885510635 757545317 /nfs/dbraw/zinc/54/53/17/757545317.db2.gz MEJFCBJMTVEVIX-IVZWLZJFSA-N 1 1 187.258 1.356 10 30 ADEEMO C[C@H]1CSCCC[N@@H+]1CCC#N 885464991 757545514 /nfs/dbraw/zinc/54/55/14/757545514.db2.gz DBHKIRAUBKOZOC-VIFPVBQESA-N 1 1 184.308 1.727 10 30 ADEEMO C[C@H]1CSCCC[N@H+]1CCC#N 885464991 757545532 /nfs/dbraw/zinc/54/55/32/757545532.db2.gz DBHKIRAUBKOZOC-VIFPVBQESA-N 1 1 184.308 1.727 10 30 ADEEMO C[C@@H]1CCC[N@H+]1C/C=C/CS 87054168 573759912 /nfs/dbraw/zinc/75/99/12/573759912.db2.gz OCGNGWPYZISCKW-GKQMSVHHSA-N 1 1 171.309 1.957 10 30 ADEEMO C#C[C@H](C)[N@H+](C)CCSCC 307893738 572733180 /nfs/dbraw/zinc/73/31/80/572733180.db2.gz GXTKGVJNHDEWIR-VIFPVBQESA-N 1 1 171.309 1.693 10 30 ADEEMO C#CC[N@H+]1CCCSC[C@H]1C1CC1 885791755 757548989 /nfs/dbraw/zinc/54/89/89/757548989.db2.gz VHSOJJOVLWOTAS-NSHDSACASA-N 1 1 195.331 1.837 10 30 ADEEMO C=CC[N@@H+](CC=C1CCC1)CCO 308397327 573512359 /nfs/dbraw/zinc/51/23/59/573512359.db2.gz FUDIISLGJWVBGH-UHFFFAOYSA-N 1 1 181.279 1.577 10 30 ADEEMO CC#CC[NH2+]Cc1cnccc1OC 308455583 573854519 /nfs/dbraw/zinc/85/45/19/573854519.db2.gz CXIZJRQAYQXPGU-UHFFFAOYSA-N 1 1 190.246 1.203 10 30 ADEEMO C#CC[N@H+]1CCCSC[C@@H]1C1CC1 885791754 757555236 /nfs/dbraw/zinc/55/52/36/757555236.db2.gz VHSOJJOVLWOTAS-LLVKDONJSA-N 1 1 195.331 1.837 10 30 ADEEMO C#CCC[N@@H+]1CCOC[C@@]1(C)C1CC1 885641943 757555967 /nfs/dbraw/zinc/55/59/67/757555967.db2.gz NOKBUXKVVCGGHJ-LBPRGKRZSA-N 1 1 193.290 1.511 10 30 ADEEMO C#CCC[N@@H+]1CCOC[C@]1(C)C1CC1 885641933 757556278 /nfs/dbraw/zinc/55/62/78/757556278.db2.gz NOKBUXKVVCGGHJ-GFCCVEGCSA-N 1 1 193.290 1.511 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1C[C@H](O)CC 934458631 757567023 /nfs/dbraw/zinc/56/70/23/757567023.db2.gz BKOLQDVYOGTDRV-VHSXEESVSA-N 1 1 169.268 1.408 10 30 ADEEMO CC[N@H+]1C[C@H](C#N)CC1(C)C 259585239 573936417 /nfs/dbraw/zinc/93/64/17/573936417.db2.gz ZQJDKMHTYPZPNH-QMMMGPOBSA-N 1 1 152.241 1.630 10 30 ADEEMO C=C[C@H](C)[NH+]1CCN(CC)CC1 307754487 572793793 /nfs/dbraw/zinc/79/37/93/572793793.db2.gz ZNSZIVCIYOETFQ-JTQLQIEISA-N 1 1 168.284 1.198 10 30 ADEEMO C#CC[C@@H]([NH2+]CC)C(C)(F)F 307717876 572793811 /nfs/dbraw/zinc/79/38/11/572793811.db2.gz NWWZJKJULWZURB-SSDOTTSWSA-N 1 1 161.195 1.643 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1CC[S@](C)=O 934458714 757568370 /nfs/dbraw/zinc/56/83/70/757568370.db2.gz CMSKUYRQBIPVBP-CABZTGNLSA-N 1 1 187.308 1.015 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1C[C@@H](O)CC 934458632 757568525 /nfs/dbraw/zinc/56/85/25/757568525.db2.gz BKOLQDVYOGTDRV-ZJUUUORDSA-N 1 1 169.268 1.408 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1C[C@@H](C)O 934458693 757568643 /nfs/dbraw/zinc/56/86/43/757568643.db2.gz CDVPHZRLTDNSDM-BDAKNGLRSA-N 1 1 155.241 1.018 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1CC(C)=O 934458677 757568712 /nfs/dbraw/zinc/56/87/12/757568712.db2.gz BWYKRPRIWBNFFC-VIFPVBQESA-N 1 1 153.225 1.226 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1CC1(O)CCC1 934458823 757568866 /nfs/dbraw/zinc/56/88/66/757568866.db2.gz FETOPPWLWJLBMY-JTQLQIEISA-N 1 1 181.279 1.552 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1C[C@H](C)O 934458694 757569031 /nfs/dbraw/zinc/56/90/31/757569031.db2.gz CDVPHZRLTDNSDM-DTWKUNHWSA-N 1 1 155.241 1.018 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1CC1(O)CCC1 934458885 757569155 /nfs/dbraw/zinc/56/91/55/757569155.db2.gz FETOPPWLWJLBMY-SNVBAGLBSA-N 1 1 181.279 1.552 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1CC[S@@](C)=O 934458713 757569393 /nfs/dbraw/zinc/56/93/93/757569393.db2.gz CMSKUYRQBIPVBP-BXKDBHETSA-N 1 1 187.308 1.015 10 30 ADEEMO C#CCOCC[N@@H+]1CC[C@@H]1CC=C 934458729 757569798 /nfs/dbraw/zinc/56/97/98/757569798.db2.gz CTDYDMHZZNVIQC-NSHDSACASA-N 1 1 179.263 1.287 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1C[C@@H](C)O 934458696 757570025 /nfs/dbraw/zinc/57/00/25/757570025.db2.gz CDVPHZRLTDNSDM-RKDXNWHRSA-N 1 1 155.241 1.018 10 30 ADEEMO C=C(Cl)C[N@@H+](C)[C@H](C)COC 307933632 572793880 /nfs/dbraw/zinc/79/38/80/572793880.db2.gz WTHWGRJIASJAEZ-MRVPVSSYSA-N 1 1 177.675 1.706 10 30 ADEEMO C=C(Cl)C[N@H+](C)[C@H](C)COC 307933632 572793882 /nfs/dbraw/zinc/79/38/82/572793882.db2.gz WTHWGRJIASJAEZ-MRVPVSSYSA-N 1 1 177.675 1.706 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1C[C@@H](O)CC 934458630 757570662 /nfs/dbraw/zinc/57/06/62/757570662.db2.gz BKOLQDVYOGTDRV-UWVGGRQHSA-N 1 1 169.268 1.408 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1C[C@H](O)CC 934458629 757571129 /nfs/dbraw/zinc/57/11/29/757571129.db2.gz BKOLQDVYOGTDRV-NXEZZACHSA-N 1 1 169.268 1.408 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1CC[S@](C)=O 934458716 757571251 /nfs/dbraw/zinc/57/12/51/757571251.db2.gz CMSKUYRQBIPVBP-SKDRFNHKSA-N 1 1 187.308 1.015 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1C[C@H](C)O 934458695 757571586 /nfs/dbraw/zinc/57/15/86/757571586.db2.gz CDVPHZRLTDNSDM-IUCAKERBSA-N 1 1 155.241 1.018 10 30 ADEEMO C#CC[N@H+](CC)CC(C)(C)C 307755391 572793938 /nfs/dbraw/zinc/79/39/38/572793938.db2.gz DFZSRDBLICDRSH-UHFFFAOYSA-N 1 1 153.269 1.988 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1CC(C)=O 934458676 757572179 /nfs/dbraw/zinc/57/21/79/757572179.db2.gz BWYKRPRIWBNFFC-SECBINFHSA-N 1 1 153.225 1.226 10 30 ADEEMO C#CCOCC[N@@H+]1CC[C@H]1CC=C 934458727 757572393 /nfs/dbraw/zinc/57/23/93/757572393.db2.gz CTDYDMHZZNVIQC-LLVKDONJSA-N 1 1 179.263 1.287 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1CC[S@@](C)=O 934458715 757572649 /nfs/dbraw/zinc/57/26/49/757572649.db2.gz CMSKUYRQBIPVBP-JOYOIKCWSA-N 1 1 187.308 1.015 10 30 ADEEMO C=C[C@@H](COC)[NH2+][C@@H](C)CC#N 307934217 572793986 /nfs/dbraw/zinc/79/39/86/572793986.db2.gz LJOOICBEJKHHNA-IUCAKERBSA-N 1 1 168.240 1.079 10 30 ADEEMO C=C(Cl)C[N@@H+](C)[C@@H](C)COC 307933633 572794010 /nfs/dbraw/zinc/79/40/10/572794010.db2.gz WTHWGRJIASJAEZ-QMMMGPOBSA-N 1 1 177.675 1.706 10 30 ADEEMO C=C(Cl)C[N@H+](C)[C@@H](C)COC 307933633 572794012 /nfs/dbraw/zinc/79/40/12/572794012.db2.gz WTHWGRJIASJAEZ-QMMMGPOBSA-N 1 1 177.675 1.706 10 30 ADEEMO C#CCC[N@H+](C)CC(=C)C 307740236 572794055 /nfs/dbraw/zinc/79/40/55/572794055.db2.gz HCTBOZKMPSOULP-UHFFFAOYSA-N 1 1 137.226 1.518 10 30 ADEEMO CCCC[N@@H+](CC)CC[C@](C)(N)C#N 45178429 573962218 /nfs/dbraw/zinc/96/22/18/573962218.db2.gz VDQLCFCDTOOKCP-NSHDSACASA-N 1 1 197.326 1.739 10 30 ADEEMO C=C(C)C[N@@H+](C)CC1COC1 307729243 572798045 /nfs/dbraw/zinc/79/80/45/572798045.db2.gz IRAHMADMMJZASA-UHFFFAOYSA-N 1 1 155.241 1.141 10 30 ADEEMO C#CC[N@@H+](Cc1ccno1)CC1CC1 1116366113 757583446 /nfs/dbraw/zinc/58/34/46/757583446.db2.gz GSPVEKISORALCA-UHFFFAOYSA-N 1 1 190.246 1.520 10 30 ADEEMO C#CC[N@H+](Cc1ccno1)CC1CC1 1116366113 757583457 /nfs/dbraw/zinc/58/34/57/757583457.db2.gz GSPVEKISORALCA-UHFFFAOYSA-N 1 1 190.246 1.520 10 30 ADEEMO C#CC[N@H+](CCOC(C)C)CC1CC1 1116368140 757583923 /nfs/dbraw/zinc/58/39/23/757583923.db2.gz GNYPTDNVUPUHIY-UHFFFAOYSA-N 1 1 195.306 1.757 10 30 ADEEMO C#CC[N@H+](CCCOC)CC1CC1 1116365866 757589594 /nfs/dbraw/zinc/58/95/94/757589594.db2.gz CLGXWPYNKDMJIX-UHFFFAOYSA-N 1 1 181.279 1.368 10 30 ADEEMO C=CCO[C@H]1CC[N@H+](CCCCO)C1 1116556422 757596448 /nfs/dbraw/zinc/59/64/48/757596448.db2.gz OHKWYSWXIMTYNQ-NSHDSACASA-N 1 1 199.294 1.036 10 30 ADEEMO C=CCNCC[NH2+]CCc1ccco1 86140001 572872439 /nfs/dbraw/zinc/87/24/39/572872439.db2.gz MUZNROWPHJJOAR-UHFFFAOYSA-N 1 1 194.278 1.187 10 30 ADEEMO C=CCO[C@@H]1CC[N@H+](CCCCO)C1 1116556421 757601222 /nfs/dbraw/zinc/60/12/22/757601222.db2.gz OHKWYSWXIMTYNQ-LLVKDONJSA-N 1 1 199.294 1.036 10 30 ADEEMO C=CCO[C@@H]1CC[N@H+](CCC#CC)C1 1116623931 757602935 /nfs/dbraw/zinc/60/29/35/757602935.db2.gz AMPJFRFQGUGKLF-GFCCVEGCSA-N 1 1 193.290 1.677 10 30 ADEEMO C#CCN(C)C[C@H]1CCC[N@@H+]1CC 86189767 572879880 /nfs/dbraw/zinc/87/98/80/572879880.db2.gz ZTTLFOBSNBWAOY-LLVKDONJSA-N 1 1 180.295 1.036 10 30 ADEEMO C#CC[N@@H+](Cc1cc[nH]n1)CC1CC1 1116448837 757604953 /nfs/dbraw/zinc/60/49/53/757604953.db2.gz AEJOREWZMPWDHU-UHFFFAOYSA-N 1 1 189.262 1.255 10 30 ADEEMO C#CC[N@H+](Cc1cc[nH]n1)CC1CC1 1116448837 757604988 /nfs/dbraw/zinc/60/49/88/757604988.db2.gz AEJOREWZMPWDHU-UHFFFAOYSA-N 1 1 189.262 1.255 10 30 ADEEMO N#CCCCC[N@@H+]1C[C@H](O)C2(CC2)C1 1116670557 757605903 /nfs/dbraw/zinc/60/59/03/757605903.db2.gz POFHXMYZEADFCW-JTQLQIEISA-N 1 1 194.278 1.137 10 30 ADEEMO C=CCO[C@H]1CC[N@H+](CCC#CC)C1 1116623934 757608020 /nfs/dbraw/zinc/60/80/20/757608020.db2.gz AMPJFRFQGUGKLF-LBPRGKRZSA-N 1 1 193.290 1.677 10 30 ADEEMO C=CCC[N@H+](C)[C@H]1CC[C@@H]1C[NH3+] 307928009 572895527 /nfs/dbraw/zinc/89/55/27/572895527.db2.gz ABBVSWFMTBJTKU-ZJUUUORDSA-N 1 1 168.284 1.232 10 30 ADEEMO C#CC[N@H+](CCC)C[C@@H](O)CC 307973531 572895549 /nfs/dbraw/zinc/89/55/49/572895549.db2.gz IVXOWWFSEDVJEY-JTQLQIEISA-N 1 1 169.268 1.103 10 30 ADEEMO C#CCCCN1CC[C@@H]2[NH2+]CC[C@H]2C1 307066908 572895566 /nfs/dbraw/zinc/89/55/66/572895566.db2.gz WOYIVESSXQQJOD-RYUDHWBXSA-N 1 1 192.306 1.084 10 30 ADEEMO O=C[C@H]1CCC[N@H+](CCCCF)C1 308164524 572895567 /nfs/dbraw/zinc/89/55/67/572895567.db2.gz YRJHHJSCDSJRJI-JTQLQIEISA-N 1 1 187.258 1.647 10 30 ADEEMO C#CCC[N@@H+](CC#C)CC1CC1 307973742 572895582 /nfs/dbraw/zinc/89/55/82/572895582.db2.gz CLQXYXJWAMTEIH-UHFFFAOYSA-N 1 1 161.248 1.355 10 30 ADEEMO CCC#C[C@@H](C)[N@H+]1C[C@@H](O)C2(CC2)C1 1116670642 757614227 /nfs/dbraw/zinc/61/42/27/757614227.db2.gz SIYNJPFCQMTFBN-GHMZBOCLSA-N 1 1 193.290 1.245 10 30 ADEEMO N#CCCCC[N@@H+]1C[C@@H](O)C2(CC2)C1 1116670558 757615952 /nfs/dbraw/zinc/61/59/52/757615952.db2.gz POFHXMYZEADFCW-SNVBAGLBSA-N 1 1 194.278 1.137 10 30 ADEEMO CCC(CC)[N@@H+](C)CC=NO 714593243 572914141 /nfs/dbraw/zinc/91/41/41/572914141.db2.gz PVNVKOPUKDPWIW-UHFFFAOYSA-N 1 1 158.245 1.567 10 30 ADEEMO CCC#C[C@H](C)[N@H+]1C[C@@H](O)C2(CC2)C1 1116670645 757617701 /nfs/dbraw/zinc/61/77/01/757617701.db2.gz SIYNJPFCQMTFBN-WDEREUQCSA-N 1 1 193.290 1.245 10 30 ADEEMO CCC#C[C@H](C)[N@H+]1C[C@H](O)C2(CC2)C1 1116670644 757621945 /nfs/dbraw/zinc/62/19/45/757621945.db2.gz SIYNJPFCQMTFBN-QWRGUYRKSA-N 1 1 193.290 1.245 10 30 ADEEMO CCC#C[C@@H](C)[N@H+]1C[C@H](O)C2(CC2)C1 1116670643 757623046 /nfs/dbraw/zinc/62/30/46/757623046.db2.gz SIYNJPFCQMTFBN-MNOVXSKESA-N 1 1 193.290 1.245 10 30 ADEEMO C=C(Cl)C[N@H+](CCO)C(C)(C)C 238088416 572927678 /nfs/dbraw/zinc/92/76/78/572927678.db2.gz OIDODXOPOJGIQG-UHFFFAOYSA-N 1 1 191.702 1.832 10 30 ADEEMO CCC[C@@H]1CC[N@@H+](CC[C@@H]2CO2)C1 308204526 572933887 /nfs/dbraw/zinc/93/38/87/572933887.db2.gz RWLBYOSLDGCOMP-GHMZBOCLSA-N 1 1 183.295 1.897 10 30 ADEEMO C=C[C@@H](C)[N@H+](C)C[C@H](O)C(F)(F)F 308135047 572945748 /nfs/dbraw/zinc/94/57/48/572945748.db2.gz DSKHYLGSWIIWMA-RQJHMYQMSA-N 1 1 197.200 1.416 10 30 ADEEMO C=C[C@@H](C)[N@@H+](C)C[C@H](O)C(F)(F)F 308135047 572945749 /nfs/dbraw/zinc/94/57/49/572945749.db2.gz DSKHYLGSWIIWMA-RQJHMYQMSA-N 1 1 197.200 1.416 10 30 ADEEMO C#CCN[C@H](C)C[C@H]1CCCC[NH2+]1 86498593 572945756 /nfs/dbraw/zinc/94/57/56/572945756.db2.gz BHWGIISFAYXCND-GHMZBOCLSA-N 1 1 180.295 1.130 10 30 ADEEMO C=CC[N@H+]1CC[C@@]12CCOC2 1117989515 757649523 /nfs/dbraw/zinc/64/95/23/757649523.db2.gz KQQKADXJPTXJLH-VIFPVBQESA-N 1 1 153.225 1.037 10 30 ADEEMO C=CC[N@H+]1CC[C@]12CCOC2 1117989512 757651207 /nfs/dbraw/zinc/65/12/07/757651207.db2.gz KQQKADXJPTXJLH-SECBINFHSA-N 1 1 153.225 1.037 10 30 ADEEMO CC[N@@H+](C)CC[C@@H]1CCC[C@]1(N)C#N 86532067 572950351 /nfs/dbraw/zinc/95/03/51/572950351.db2.gz VCCMNWJXRIVFLI-QWRGUYRKSA-N 1 1 195.310 1.349 10 30 ADEEMO CC(C)OCC[C@@H]1CCC[C@@]1([NH3+])C#N 86534102 572950360 /nfs/dbraw/zinc/95/03/60/572950360.db2.gz QKPFQGKYENODTK-WDEREUQCSA-N 1 1 196.294 1.823 10 30 ADEEMO C=C(C)CC[N@H+]1CC[C@@]12CCOC2 1118054176 757659931 /nfs/dbraw/zinc/65/99/31/757659931.db2.gz RSTWYBUHXOKWLL-NSHDSACASA-N 1 1 181.279 1.817 10 30 ADEEMO Cc1cc([C@H]([NH3+])CC#N)c(C)n1C 104524917 572996177 /nfs/dbraw/zinc/99/61/77/572996177.db2.gz VCPRNTSZYQJYJI-SNVBAGLBSA-N 1 1 177.251 1.555 10 30 ADEEMO C=C(C)CC[N@H+]1CC[C@]12CCOC2 1118054175 757662320 /nfs/dbraw/zinc/66/23/20/757662320.db2.gz RSTWYBUHXOKWLL-LLVKDONJSA-N 1 1 181.279 1.817 10 30 ADEEMO C=C(CO)C[C@H]1CCCC[N@@H+]1CC 258212502 573001438 /nfs/dbraw/zinc/00/14/38/573001438.db2.gz OEHBORSDDIMWEU-LLVKDONJSA-N 1 1 183.295 1.799 10 30 ADEEMO C=C(CC=O)[C@@H]1CCCC[N@@H+]1C 258221841 573011401 /nfs/dbraw/zinc/01/14/01/573011401.db2.gz OZCIONGIXBCQDT-JTQLQIEISA-N 1 1 167.252 1.616 10 30 ADEEMO Cn1ccc([C@@H]2C[N@H+](C)C[C@@H]2C#N)c1 259596093 573017723 /nfs/dbraw/zinc/01/77/23/573017723.db2.gz FWHNFHLZFIEMTN-QWRGUYRKSA-N 1 1 189.262 1.194 10 30 ADEEMO Cn1ccc([C@@H]2C[N@@H+](C)C[C@@H]2C#N)c1 259596093 573017727 /nfs/dbraw/zinc/01/77/27/573017727.db2.gz FWHNFHLZFIEMTN-QWRGUYRKSA-N 1 1 189.262 1.194 10 30 ADEEMO CC[N@@H+](CC(C)(C)C=O)[C@H]1CCOC1 308483789 573020914 /nfs/dbraw/zinc/02/09/14/573020914.db2.gz MNYFFSIDRPHRGZ-JTQLQIEISA-N 1 1 199.294 1.322 10 30 ADEEMO C=CCC[N@@H+]1CCCC[C@]1(C)CO 308225543 573023122 /nfs/dbraw/zinc/02/31/22/573023122.db2.gz DQGYEFSZLCPROD-LLVKDONJSA-N 1 1 183.295 1.799 10 30 ADEEMO C=CC[C@H](C)[N@@H+]1CC(=O)N(C)[C@H](C)C1 1119307897 757739986 /nfs/dbraw/zinc/73/99/86/757739986.db2.gz FNRZVZWWLAPMKN-VHSXEESVSA-N 1 1 196.294 1.114 10 30 ADEEMO N#CC[C@H]([NH3+])c1cc(N)ccc1F 104573854 573026193 /nfs/dbraw/zinc/02/61/93/573026193.db2.gz LYTVBHHRRUUZQN-VIFPVBQESA-N 1 1 179.198 1.321 10 30 ADEEMO C=CC[C@H](C)[N@@H+]1CC(=O)N(C)[C@@H](C)C1 1119307896 757746590 /nfs/dbraw/zinc/74/65/90/757746590.db2.gz FNRZVZWWLAPMKN-UWVGGRQHSA-N 1 1 196.294 1.114 10 30 ADEEMO C=CC[C@@H](C)[N@@H+]1CC(=O)N(C)[C@@H](C)C1 1119307898 757750236 /nfs/dbraw/zinc/75/02/36/757750236.db2.gz FNRZVZWWLAPMKN-ZJUUUORDSA-N 1 1 196.294 1.114 10 30 ADEEMO C=CC[C@@H](C)[N@@H+]1CC(=O)N(C)[C@H](C)C1 1119307895 757750621 /nfs/dbraw/zinc/75/06/21/757750621.db2.gz FNRZVZWWLAPMKN-NXEZZACHSA-N 1 1 196.294 1.114 10 30 ADEEMO CCO[C@@](C)(C=O)[C@@H]1CCC[N@@H+](C)C1 257931715 573032416 /nfs/dbraw/zinc/03/24/16/573032416.db2.gz ZUSHDGNFUVOIGG-MNOVXSKESA-N 1 1 199.294 1.322 10 30 ADEEMO C#CCOCC[N@H+](C)[C@@H](C)CC=C 1119308520 757755370 /nfs/dbraw/zinc/75/53/70/757755370.db2.gz PBFSRWFWORPGMX-NSHDSACASA-N 1 1 181.279 1.533 10 30 ADEEMO C#CCOCC[N@H+](C)[C@H](C)CC=C 1119308519 757766225 /nfs/dbraw/zinc/76/62/25/757766225.db2.gz PBFSRWFWORPGMX-LLVKDONJSA-N 1 1 181.279 1.533 10 30 ADEEMO C=C[C@H](C)C[N@@H+](C)[C@H]1CCOC1=O 308250399 573050084 /nfs/dbraw/zinc/05/00/84/573050084.db2.gz HDIGKSSUHQZZLV-IUCAKERBSA-N 1 1 183.251 1.056 10 30 ADEEMO N#CC1([NH3+])C2CCCC1CCC2 114061120 573050126 /nfs/dbraw/zinc/05/01/26/573050126.db2.gz CEJSIQOHWZKJHY-UHFFFAOYSA-N 1 1 164.252 1.808 10 30 ADEEMO CC[N@H+]1CCC[C@@](C)([C@@H]2CO2)C1 238260223 573055021 /nfs/dbraw/zinc/05/50/21/573055021.db2.gz BCAGITJLJHTDMA-VHSXEESVSA-N 1 1 169.268 1.507 10 30 ADEEMO C[C@H](C#N)CN1CCC([C@H](C)[NH3+])CC1 82475086 573061406 /nfs/dbraw/zinc/06/14/06/573061406.db2.gz LPKSVTAVHLFPMR-ZJUUUORDSA-N 1 1 195.310 1.205 10 30 ADEEMO C=CC[N@@H+](C/C=C\CCC)CCO 308243990 573061459 /nfs/dbraw/zinc/06/14/59/573061459.db2.gz UDCBNKUDZXGYSW-SREVYHEPSA-N 1 1 183.295 1.823 10 30 ADEEMO CC[C@H]1CN(C[C@@H](C)C#N)CC[N@H+]1C 82478128 573061573 /nfs/dbraw/zinc/06/15/73/573061573.db2.gz ZTFNKQJZXNJEFQ-QWRGUYRKSA-N 1 1 195.310 1.172 10 30 ADEEMO CC[N@H+]1CCN([C@@H](C)CC#N)C[C@@H]1C 82478115 573061641 /nfs/dbraw/zinc/06/16/41/573061641.db2.gz MZASOAQDVMYDHK-QWRGUYRKSA-N 1 1 195.310 1.315 10 30 ADEEMO C[C@H]1CCOCC[N@@H+]1CC1(C#N)CC1 1119699925 757802340 /nfs/dbraw/zinc/80/23/40/757802340.db2.gz CARYHLSJVDKRSQ-JTQLQIEISA-N 1 1 194.278 1.401 10 30 ADEEMO C[C@H]1CCOCC[N@H+]1CC1(C#N)CC1 1119699925 757802342 /nfs/dbraw/zinc/80/23/42/757802342.db2.gz CARYHLSJVDKRSQ-JTQLQIEISA-N 1 1 194.278 1.401 10 30 ADEEMO C[C@@H]1CCOCC[N@@H+]1CC1(C#N)CC1 1119699926 757802757 /nfs/dbraw/zinc/80/27/57/757802757.db2.gz CARYHLSJVDKRSQ-SNVBAGLBSA-N 1 1 194.278 1.401 10 30 ADEEMO C[C@@H]1CCOCC[N@H+]1CC1(C#N)CC1 1119699926 757802758 /nfs/dbraw/zinc/80/27/58/757802758.db2.gz CARYHLSJVDKRSQ-SNVBAGLBSA-N 1 1 194.278 1.401 10 30 ADEEMO C=CC[N@@H+](C)CCc1ccns1 1119745025 757802765 /nfs/dbraw/zinc/80/27/65/757802765.db2.gz MXYKVKATSNNKSC-UHFFFAOYSA-N 1 1 182.292 1.803 10 30 ADEEMO C#CC[N@@H+](C)CCc1cccc(F)c1 1119766791 757803396 /nfs/dbraw/zinc/80/33/96/757803396.db2.gz FPENTSURPKIRPC-UHFFFAOYSA-N 1 1 191.249 1.933 10 30 ADEEMO C[C@H]([NH3+])C1CCN([C@@H](C)CC#N)CC1 82475100 573065357 /nfs/dbraw/zinc/06/53/57/573065357.db2.gz GOTHGXWMEQSDRT-UWVGGRQHSA-N 1 1 195.310 1.348 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1CC(=O)OC(C)C 1119888129 757803979 /nfs/dbraw/zinc/80/39/79/757803979.db2.gz NVHYIFJGOHFCGF-JTQLQIEISA-N 1 1 197.278 1.588 10 30 ADEEMO C=CC[C@H]1CC[N@H+]1CC(=O)OC(C)C 1119888129 757803977 /nfs/dbraw/zinc/80/39/77/757803977.db2.gz NVHYIFJGOHFCGF-JTQLQIEISA-N 1 1 197.278 1.588 10 30 ADEEMO C=CC[C@@H]1CC[N@H+]1CC(=O)OC(C)C 1119888130 757804049 /nfs/dbraw/zinc/80/40/49/757804049.db2.gz NVHYIFJGOHFCGF-SNVBAGLBSA-N 1 1 197.278 1.588 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1CC(=O)OC(C)C 1119888130 757804051 /nfs/dbraw/zinc/80/40/51/757804051.db2.gz NVHYIFJGOHFCGF-SNVBAGLBSA-N 1 1 197.278 1.588 10 30 ADEEMO CC#CC[N@H+](C)CC1(OC)CCC1 1120043732 757806165 /nfs/dbraw/zinc/80/61/65/757806165.db2.gz RRAGAUKUFQQVPK-UHFFFAOYSA-N 1 1 181.279 1.511 10 30 ADEEMO C[C@H]1CCC[N@@H+](CC=O)CC1 82489649 573070823 /nfs/dbraw/zinc/07/08/23/573070823.db2.gz HFPZZDRWTKKOLV-VIFPVBQESA-N 1 1 155.241 1.307 10 30 ADEEMO CCC[C@@H](C)[N@@H+](CCO)CCC#N 308247378 573071928 /nfs/dbraw/zinc/07/19/28/573071928.db2.gz XLBHOACGAABAPZ-SNVBAGLBSA-N 1 1 184.283 1.383 10 30 ADEEMO C[C@H]1CCC[N@@H+](CC/C(N)=N/O)CC1 82489461 573071936 /nfs/dbraw/zinc/07/19/36/573071936.db2.gz AMUTZKGJQRVZJO-VIFPVBQESA-N 1 1 199.298 1.245 10 30 ADEEMO C[C@@H]([NH3+])CN(C)CCCC(C)(C)C#N 308489177 573071972 /nfs/dbraw/zinc/07/19/72/573071972.db2.gz PQPAXXPQDCGRIH-SNVBAGLBSA-N 1 1 197.326 1.595 10 30 ADEEMO C[C@@H](N)C[N@H+](C)CCCC(C)(C)C#N 308489177 573071976 /nfs/dbraw/zinc/07/19/76/573071976.db2.gz PQPAXXPQDCGRIH-SNVBAGLBSA-N 1 1 197.326 1.595 10 30 ADEEMO C[C@@H](N)C[N@@H+](C)CCCC(C)(C)C#N 308489177 573071982 /nfs/dbraw/zinc/07/19/82/573071982.db2.gz PQPAXXPQDCGRIH-SNVBAGLBSA-N 1 1 197.326 1.595 10 30 ADEEMO C=C[C@@H](C)[N@H+](C)CC(=O)NC(C)C 308253917 573072083 /nfs/dbraw/zinc/07/20/83/573072083.db2.gz JHRKIQRDFOSCDI-SECBINFHSA-N 1 1 184.283 1.017 10 30 ADEEMO C[C@H](CC#N)[N@@H+](C)CCC[C@H]1CO1 308250802 573076703 /nfs/dbraw/zinc/07/67/03/573076703.db2.gz FKNJDZIWJYBOSE-ZJUUUORDSA-N 1 1 182.267 1.399 10 30 ADEEMO CC(C)(C=O)C[N@H+]1C[C@@H]2CC[C@H](C1)O2 85541388 573076828 /nfs/dbraw/zinc/07/68/28/573076828.db2.gz NKDPKSWAJUJMLD-AOOOYVTPSA-N 1 1 197.278 1.075 10 30 ADEEMO C=CCC[N@@H+](C)CCCCC(N)=O 308251858 573076849 /nfs/dbraw/zinc/07/68/49/573076849.db2.gz FZNVFSRRAFQMKD-UHFFFAOYSA-N 1 1 184.283 1.150 10 30 ADEEMO C[C@@H]1CCC[N@@H+](C[C@](C)(N)C#N)CC1 82490012 573076862 /nfs/dbraw/zinc/07/68/62/573076862.db2.gz KHRPOCYRBQSVEK-GHMZBOCLSA-N 1 1 195.310 1.349 10 30 ADEEMO C[C@H]1CCC[N@@H+](CC[C@H](N)C#N)CC1 82489947 573080054 /nfs/dbraw/zinc/08/00/54/573080054.db2.gz CPUJLJPGYSTWLG-QWRGUYRKSA-N 1 1 195.310 1.349 10 30 ADEEMO C#CCN(CCC)CC[C@@H]([NH3+])CCC 128678247 573087929 /nfs/dbraw/zinc/08/79/29/573087929.db2.gz HCWNCEBEWKFPDG-LBPRGKRZSA-N 1 1 196.338 1.849 10 30 ADEEMO C=C(CC)C(=O)NC[C@@H]1CC[N@@H+]1CC 1123991053 757860944 /nfs/dbraw/zinc/86/09/44/757860944.db2.gz FUYSGVPRCSRLST-JTQLQIEISA-N 1 1 196.294 1.163 10 30 ADEEMO C=C(CC)C(=O)NC[C@H]1CC[N@@H+]1CC 1123991054 757861480 /nfs/dbraw/zinc/86/14/80/757861480.db2.gz FUYSGVPRCSRLST-SNVBAGLBSA-N 1 1 196.294 1.163 10 30 ADEEMO C=CC[N@H+](CC)[C@@H]1CN(C)C[C@@H]1C 308501494 573100496 /nfs/dbraw/zinc/10/04/96/573100496.db2.gz XBBMJODWEJZZHB-WDEREUQCSA-N 1 1 182.311 1.444 10 30 ADEEMO C=CCN(CC)[C@@H]1C[N@H+](C)C[C@@H]1C 308501494 573100500 /nfs/dbraw/zinc/10/05/00/573100500.db2.gz XBBMJODWEJZZHB-WDEREUQCSA-N 1 1 182.311 1.444 10 30 ADEEMO C=CCN(CC)[C@@H]1C[N@@H+](C)C[C@@H]1C 308501494 573100505 /nfs/dbraw/zinc/10/05/05/573100505.db2.gz XBBMJODWEJZZHB-WDEREUQCSA-N 1 1 182.311 1.444 10 30 ADEEMO C=C(CCO)C[C@@H]1CC[N@H+](CC)C1 258232464 573105935 /nfs/dbraw/zinc/10/59/35/573105935.db2.gz PNAKGYYNBFQKGX-NSHDSACASA-N 1 1 183.295 1.657 10 30 ADEEMO C#C[C@@H](COC)[NH2+]Cc1ccsc1 308262928 573106837 /nfs/dbraw/zinc/10/68/37/573106837.db2.gz NPLCJZXNYGMDKM-JTQLQIEISA-N 1 1 195.287 1.486 10 30 ADEEMO C#CC[N@@H+](C)Cc1cccc(F)c1O 1138128752 757882231 /nfs/dbraw/zinc/88/22/31/757882231.db2.gz XHIMELAOLUZJKQ-UHFFFAOYSA-N 1 1 193.221 1.596 10 30 ADEEMO C#CC[N@H+](C)Cc1cccc(F)c1O 1138128752 757882242 /nfs/dbraw/zinc/88/22/42/757882242.db2.gz XHIMELAOLUZJKQ-UHFFFAOYSA-N 1 1 193.221 1.596 10 30 ADEEMO C#CC[N@@H+](C)Cc1ccc(F)nc1 1137741425 757883175 /nfs/dbraw/zinc/88/31/75/757883175.db2.gz ZXFZLOBJMHSQPJ-UHFFFAOYSA-N 1 1 178.210 1.286 10 30 ADEEMO C#CC[N@H+](C)Cc1ccc(F)nc1 1137741425 757883177 /nfs/dbraw/zinc/88/31/77/757883177.db2.gz ZXFZLOBJMHSQPJ-UHFFFAOYSA-N 1 1 178.210 1.286 10 30 ADEEMO C/N=C(\SC)[C@H]1CC[N@@H+](C)C1 259332678 573109620 /nfs/dbraw/zinc/10/96/20/573109620.db2.gz UUZSHJMQTMILHW-RDONPILCSA-N 1 1 172.297 1.329 10 30 ADEEMO C=CC[N@@H+](C)Cc1ccnnc1 1139983704 757892828 /nfs/dbraw/zinc/89/28/28/757892828.db2.gz GUIFDEYBPHXKQE-UHFFFAOYSA-N 1 1 163.224 1.094 10 30 ADEEMO C=CC[N@H+](C)Cc1ccnnc1 1139983704 757892831 /nfs/dbraw/zinc/89/28/31/757892831.db2.gz GUIFDEYBPHXKQE-UHFFFAOYSA-N 1 1 163.224 1.094 10 30 ADEEMO C=C(C)C[N@H+](CC)Cc1cccnn1 1139972405 757895034 /nfs/dbraw/zinc/89/50/34/757895034.db2.gz QISQXRZQXXHGSJ-UHFFFAOYSA-N 1 1 191.278 1.875 10 30 ADEEMO C=CC[NH+](CC=C)Cc1cccnn1 1139970705 757895421 /nfs/dbraw/zinc/89/54/21/757895421.db2.gz COJWASRXYXNJCW-UHFFFAOYSA-N 1 1 189.262 1.651 10 30 ADEEMO C#CC[N@H+](C)Cc1cc(F)ccc1O 1140055064 757899612 /nfs/dbraw/zinc/89/96/12/757899612.db2.gz GKZFLJUBPGNJBS-UHFFFAOYSA-N 1 1 193.221 1.596 10 30 ADEEMO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C[N@@H+](C)C[C@H]1CO1 717138964 573117692 /nfs/dbraw/zinc/11/76/92/573117692.db2.gz UMBIUQXPVJNTPJ-DGORSVRFSA-N 1 1 195.306 1.609 10 30 ADEEMO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C[N@@H+](C)C[C@H]1CO1 717138969 573117714 /nfs/dbraw/zinc/11/77/14/573117714.db2.gz UMBIUQXPVJNTPJ-GCHJQGSQSA-N 1 1 195.306 1.609 10 30 ADEEMO C=CCCC[N@H+](C)[C@H]1CCN(C)C1 308273661 573120521 /nfs/dbraw/zinc/12/05/21/573120521.db2.gz UGVABINARKXINO-NSHDSACASA-N 1 1 182.311 1.589 10 30 ADEEMO C[C@@H](CCCCO)[N@@H+](C)CCC#N 308274477 573121677 /nfs/dbraw/zinc/12/16/77/573121677.db2.gz UPFCGZVRTFZQMK-JTQLQIEISA-N 1 1 184.283 1.383 10 30 ADEEMO C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)nc1 1140539974 757909933 /nfs/dbraw/zinc/90/99/33/757909933.db2.gz FWUPOMRFMWPDKB-SECBINFHSA-N 1 1 187.246 1.547 10 30 ADEEMO Cc1nc(C#N)cc(-n2cc[nH+]c2C)n1 308274298 573121794 /nfs/dbraw/zinc/12/17/94/573121794.db2.gz XSGCVWPPDHCPJD-UHFFFAOYSA-N 1 1 199.217 1.151 10 30 ADEEMO C[C@@H]1CC[N@H+]1Cc1ccc(C#N)nc1 1140539974 757909962 /nfs/dbraw/zinc/90/99/62/757909962.db2.gz FWUPOMRFMWPDKB-SECBINFHSA-N 1 1 187.246 1.547 10 30 ADEEMO C=CCN(C)Cc1cc(C)c(C[NH3+])o1 131957918 573121827 /nfs/dbraw/zinc/12/18/27/573121827.db2.gz KCUIXBGQEPGWCC-UHFFFAOYSA-N 1 1 194.278 1.665 10 30 ADEEMO C=CCN(C)[C@@H]1CC[C@H]1C[NH2+]C 131988616 573134886 /nfs/dbraw/zinc/13/48/86/573134886.db2.gz RGMULFUHUFRNFI-VHSXEESVSA-N 1 1 168.284 1.102 10 30 ADEEMO C[C@H]1CC[N@@H+]1Cc1ccc(C#N)nc1 1140539975 757920606 /nfs/dbraw/zinc/92/06/06/757920606.db2.gz FWUPOMRFMWPDKB-VIFPVBQESA-N 1 1 187.246 1.547 10 30 ADEEMO C[C@H]1CC[N@H+]1Cc1ccc(C#N)nc1 1140539975 757920620 /nfs/dbraw/zinc/92/06/20/757920620.db2.gz FWUPOMRFMWPDKB-VIFPVBQESA-N 1 1 187.246 1.547 10 30 ADEEMO COCCC(N)=[NH+]OCC[C@H](C)F 308503003 573146805 /nfs/dbraw/zinc/14/68/05/573146805.db2.gz XVBSRCINWUDUBF-ZETCQYMHSA-N 1 1 192.234 1.060 10 30 ADEEMO N#CC[C@H]([NH3+])c1cnc2cc[nH]c2c1 89221496 573150642 /nfs/dbraw/zinc/15/06/42/573150642.db2.gz RQPYZRZUDDMVPK-QMMMGPOBSA-N 1 1 186.218 1.476 10 30 ADEEMO N#CC[C@H]([NH3+])c1ccc(F)nc1 104668310 573152604 /nfs/dbraw/zinc/15/26/04/573152604.db2.gz XCHQESSSNGZUDP-ZETCQYMHSA-N 1 1 165.171 1.134 10 30 ADEEMO C#CC[N@H+](C)Cc1ccc(C)cc1O 1140950748 757939406 /nfs/dbraw/zinc/93/94/06/757939406.db2.gz GPPUHTAVOWNCID-UHFFFAOYSA-N 1 1 189.258 1.766 10 30 ADEEMO C#C[C@@H](C)[NH2+]C[C@@H](C#N)CCC#N 308284495 573153900 /nfs/dbraw/zinc/15/39/00/573153900.db2.gz YIPKFIRFLPTIFN-NXEZZACHSA-N 1 1 175.235 1.041 10 30 ADEEMO C[N@@H+]1CCC(C)(C)[C@@H](C#N)C1 259348598 573153909 /nfs/dbraw/zinc/15/39/09/573153909.db2.gz SXFXSWORYRBBRX-QMMMGPOBSA-N 1 1 152.241 1.488 10 30 ADEEMO C[N@@H+]1CCC(C)(C)[C@H](C#N)C1 259348595 573157111 /nfs/dbraw/zinc/15/71/11/573157111.db2.gz SXFXSWORYRBBRX-MRVPVSSYSA-N 1 1 152.241 1.488 10 30 ADEEMO C[N@H+]1CCC(C)(C)[C@H](C#N)C1 259348595 573157116 /nfs/dbraw/zinc/15/71/16/573157116.db2.gz SXFXSWORYRBBRX-MRVPVSSYSA-N 1 1 152.241 1.488 10 30 ADEEMO C[C@@H](CC#N)N1CC[N@H+]2CCC[C@@H]2C1 82687429 573157154 /nfs/dbraw/zinc/15/71/54/573157154.db2.gz HISCGCZAKJDTIL-WDEREUQCSA-N 1 1 193.294 1.069 10 30 ADEEMO C#C[C@@H]([NH2+]Cc1ncc[nH]1)C(C)(C)C 308505993 573157177 /nfs/dbraw/zinc/15/71/77/573157177.db2.gz IRVNXSSHVLKSAY-SECBINFHSA-N 1 1 191.278 1.547 10 30 ADEEMO Cc1cc(F)ncc1[C@@H]([NH3+])CC#N 104674047 573162877 /nfs/dbraw/zinc/16/28/77/573162877.db2.gz BJYGSVSHKYHXBH-QMMMGPOBSA-N 1 1 179.198 1.443 10 30 ADEEMO Cc1cnccc1[C@@H]([NH3+])CC#N 104674668 573164003 /nfs/dbraw/zinc/16/40/03/573164003.db2.gz YMYPIVRWUARCSC-VIFPVBQESA-N 1 1 161.208 1.304 10 30 ADEEMO CC#CC[NH2+][C@@H](CN)[C@@H](C)C(C)C 308291897 573170756 /nfs/dbraw/zinc/17/07/56/573170756.db2.gz KPHGYHAARDSPIP-QWRGUYRKSA-N 1 1 182.311 1.219 10 30 ADEEMO CC[C@]1(C)C[C@H](C=O)[C@@H](C)C[N@H+]1C 238305541 573182961 /nfs/dbraw/zinc/18/29/61/573182961.db2.gz GEFDVHPCACWDQH-HBNTYKKESA-N 1 1 183.295 1.942 10 30 ADEEMO C[NH2+][C@H](c1cccnc1)C(C)(C)C#N 259362161 573186635 /nfs/dbraw/zinc/18/66/35/573186635.db2.gz LCYJJZXNDPVOCU-SNVBAGLBSA-N 1 1 189.262 1.892 10 30 ADEEMO CC(=O)[C@H]([NH3+])c1csc(CC#N)c1 104683526 573186843 /nfs/dbraw/zinc/18/68/43/573186843.db2.gz VRXUMZICBNUUPE-VIFPVBQESA-N 1 1 194.259 1.403 10 30 ADEEMO C#CC(C)(C)[N@@H+](C)[C@@H]1CCC[C@@H]1O 238299882 573187039 /nfs/dbraw/zinc/18/70/39/573187039.db2.gz SYVUQDBQJZMPGA-ZJUUUORDSA-N 1 1 181.279 1.243 10 30 ADEEMO CC(C)C[N@H+]1CCC[C@H](NCC#N)C1 258572690 573189121 /nfs/dbraw/zinc/18/91/21/573189121.db2.gz LHTXXPXXUMXCJX-NSHDSACASA-N 1 1 195.310 1.220 10 30 ADEEMO C#C[C@H](C)[NH2+][C@H](C)c1nccnc1C 235522240 573192598 /nfs/dbraw/zinc/19/25/98/573192598.db2.gz QPINUJSAOXJJJX-WCBMZHEXSA-N 1 1 189.262 1.457 10 30 ADEEMO C=CCN(CC)[C@@H]1CC[C@@H]1C[NH2+]C 132037042 573192692 /nfs/dbraw/zinc/19/26/92/573192692.db2.gz IWNHCWOJXRQWRH-GHMZBOCLSA-N 1 1 182.311 1.492 10 30 ADEEMO C#CCCC[N@@H+]1C[C@@H](N)CC[C@H]1C 642866935 573192977 /nfs/dbraw/zinc/19/29/77/573192977.db2.gz MFVJNKSNDWRUIA-MNOVXSKESA-N 1 1 180.295 1.211 10 30 ADEEMO C#CCCCN1C[C@@H]([NH3+])CC[C@H]1C 642866935 573192982 /nfs/dbraw/zinc/19/29/82/573192982.db2.gz MFVJNKSNDWRUIA-MNOVXSKESA-N 1 1 180.295 1.211 10 30 ADEEMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)CC 1142721945 758044806 /nfs/dbraw/zinc/04/48/06/758044806.db2.gz NZQDBUYLLPVCIK-JTQLQIEISA-N 1 1 196.294 1.163 10 30 ADEEMO [NH3+][C@@H](S)c1cccs1 259365157 573194323 /nfs/dbraw/zinc/19/43/23/573194323.db2.gz KJVOFJCOGFHULD-YFKPBYRVSA-N 1 1 145.252 1.635 10 30 ADEEMO CC[C@@H](C)O[NH+]=Cc1cccnc1N 308516011 573194480 /nfs/dbraw/zinc/19/44/80/573194480.db2.gz MTQCAZXAWXYXIH-MRVPVSSYSA-N 1 1 193.250 1.813 10 30 ADEEMO Cc1cnn([C@H](C)C[C@](C)([NH3+])C#N)c1 82795217 573198785 /nfs/dbraw/zinc/19/87/85/573198785.db2.gz MWCTXUNTITZZNY-ZJUUUORDSA-N 1 1 192.266 1.384 10 30 ADEEMO C[C@@H](C[C@@](C)([NH3+])C#N)OCC1CC1 82795987 573198916 /nfs/dbraw/zinc/19/89/16/573198916.db2.gz OINFKURBVZTZKC-WCBMZHEXSA-N 1 1 182.267 1.433 10 30 ADEEMO C#CC[N@H+](C)Cc1cccc2n[nH]cc12 1143097188 758064327 /nfs/dbraw/zinc/06/43/27/758064327.db2.gz SOBXHSQIHPRICP-UHFFFAOYSA-N 1 1 199.257 1.628 10 30 ADEEMO C[C@H](C[C@](C)([NH3+])C#N)n1cccn1 82795114 573199020 /nfs/dbraw/zinc/19/90/20/573199020.db2.gz VWBDQAPGRFSQHD-BDAKNGLRSA-N 1 1 178.239 1.075 10 30 ADEEMO Cc1cnn([C@@H](C)C[C@@](C)([NH3+])C#N)c1 82795219 573199046 /nfs/dbraw/zinc/19/90/46/573199046.db2.gz MWCTXUNTITZZNY-VHSXEESVSA-N 1 1 192.266 1.384 10 30 ADEEMO C[N@H+]1CCC[C@@](O)(C(C)(C)C#N)CC1 85895622 573199100 /nfs/dbraw/zinc/19/91/00/573199100.db2.gz SKVFKFCHZZHVFT-NSHDSACASA-N 1 1 196.294 1.383 10 30 ADEEMO Cc1ccn([C@@H](C)C[C@](C)([NH3+])C#N)n1 82795418 573199216 /nfs/dbraw/zinc/19/92/16/573199216.db2.gz BYLZRIIIVHDIDO-UWVGGRQHSA-N 1 1 192.266 1.384 10 30 ADEEMO CC[C@@H](C#N)[C@]1(O)CCC[N@@H+](C)CC1 85895641 573199315 /nfs/dbraw/zinc/19/93/15/573199315.db2.gz WHCAEQNASDHWSY-QWRGUYRKSA-N 1 1 196.294 1.383 10 30 ADEEMO C[N@@H+](CC=O)CCOCC1CCCC1 714644571 573202358 /nfs/dbraw/zinc/20/23/58/573202358.db2.gz UTNUWLPYVJKGTO-UHFFFAOYSA-N 1 1 199.294 1.324 10 30 ADEEMO C[N@H+](CC=O)CCOCC1CCCC1 714644571 573202363 /nfs/dbraw/zinc/20/23/63/573202363.db2.gz UTNUWLPYVJKGTO-UHFFFAOYSA-N 1 1 199.294 1.324 10 30 ADEEMO CCS[C@@H](C)C[C@@](C)([NH3+])C#N 82796998 573202532 /nfs/dbraw/zinc/20/25/32/573202532.db2.gz MHTUEKAMLJAYDE-JGVFFNPUSA-N 1 1 172.297 1.759 10 30 ADEEMO C=CC[N@@H+]1CCC(C)(C)[C@@H](O)C1 259371283 573202573 /nfs/dbraw/zinc/20/25/73/573202573.db2.gz VGRKGGZPPPGCKG-VIFPVBQESA-N 1 1 169.268 1.265 10 30 ADEEMO CC(C)[C@H](C#N)[C@H]([NH3+])c1ccc[nH]1 259367349 573202615 /nfs/dbraw/zinc/20/26/15/573202615.db2.gz KKABKYRRHZWKIP-WPRPVWTQSA-N 1 1 177.251 1.810 10 30 ADEEMO CC[C@@H](C)[N@H+]1CC[C@@H](N(C)CC#N)C1 259371270 573202722 /nfs/dbraw/zinc/20/27/22/573202722.db2.gz PNMZNVLQPANSGQ-GHMZBOCLSA-N 1 1 195.310 1.315 10 30 ADEEMO CC(C)[C@@H](C#N)[C@@H]([NH3+])c1ccc[nH]1 259367337 573202773 /nfs/dbraw/zinc/20/27/73/573202773.db2.gz KKABKYRRHZWKIP-PSASIEDQSA-N 1 1 177.251 1.810 10 30 ADEEMO C=CCN1CCCC[NH2+]C(C)(C)C1 259371178 573202810 /nfs/dbraw/zinc/20/28/10/573202810.db2.gz KTOJUZMCKSULAE-UHFFFAOYSA-N 1 1 182.311 1.636 10 30 ADEEMO C=CCC[C@](C)([NH2+]CC)C(=O)OCC 132091501 573204787 /nfs/dbraw/zinc/20/47/87/573204787.db2.gz GTTPJPFVFOYKRT-NSHDSACASA-N 1 1 199.294 1.884 10 30 ADEEMO CC(C)[C@@H](C#N)[C@H]([NH3+])c1ccc[nH]1 259367341 573204927 /nfs/dbraw/zinc/20/49/27/573204927.db2.gz KKABKYRRHZWKIP-SCZZXKLOSA-N 1 1 177.251 1.810 10 30 ADEEMO Cc1[nH+]ccn1[C@@H](C)C[C@](C)(N)C#N 82802584 573204965 /nfs/dbraw/zinc/20/49/65/573204965.db2.gz ZEOVQKQQMUQSNQ-WPRPVWTQSA-N 1 1 192.266 1.384 10 30 ADEEMO C=CCC[C@@](C)([NH2+]C(C)C)C(=O)OC 132090401 573204982 /nfs/dbraw/zinc/20/49/82/573204982.db2.gz BMOBUHINBKLGEK-LLVKDONJSA-N 1 1 199.294 1.882 10 30 ADEEMO CS[C@H](C)C[C@@](C)([NH3+])C#N 82797233 573204990 /nfs/dbraw/zinc/20/49/90/573204990.db2.gz UEPFBHLDBYUQRM-RNFRBKRXSA-N 1 1 158.270 1.369 10 30 ADEEMO C[C@@H]1[C@@H](C#N)CC[N@@H+]1C[C@@H]1CCCO1 259371371 573205001 /nfs/dbraw/zinc/20/50/01/573205001.db2.gz VIVNWGKXNYSDEX-MXWKQRLJSA-N 1 1 194.278 1.399 10 30 ADEEMO C[C@@H]1[C@@H](C#N)CC[N@H+]1C[C@@H]1CCCO1 259371371 573205007 /nfs/dbraw/zinc/20/50/07/573205007.db2.gz VIVNWGKXNYSDEX-MXWKQRLJSA-N 1 1 194.278 1.399 10 30 ADEEMO C[C@H](C[C@](C)([NH3+])C#N)n1ccnc1 82802571 573205078 /nfs/dbraw/zinc/20/50/78/573205078.db2.gz VDCSHKXPSHXZSZ-BDAKNGLRSA-N 1 1 178.239 1.075 10 30 ADEEMO C=CCC[C@@](C)([NH2+]CC)C(=O)OCC 132091678 573205173 /nfs/dbraw/zinc/20/51/73/573205173.db2.gz GTTPJPFVFOYKRT-LLVKDONJSA-N 1 1 199.294 1.884 10 30 ADEEMO C[C@@H]1[C@H](C#N)CC[N@@H+]1C[C@H]1CCCO1 259371375 573205208 /nfs/dbraw/zinc/20/52/08/573205208.db2.gz VIVNWGKXNYSDEX-OUAUKWLOSA-N 1 1 194.278 1.399 10 30 ADEEMO C[C@@H]1[C@H](C#N)CC[N@H+]1C[C@H]1CCCO1 259371375 573205213 /nfs/dbraw/zinc/20/52/13/573205213.db2.gz VIVNWGKXNYSDEX-OUAUKWLOSA-N 1 1 194.278 1.399 10 30 ADEEMO C=CC[N@@H+]1CC[C@@H](C(=O)OC)C1(C)C 259375579 573208156 /nfs/dbraw/zinc/20/81/56/573208156.db2.gz VRRIKRIVICXPEW-VIFPVBQESA-N 1 1 197.278 1.446 10 30 ADEEMO C[C@H](C#N)C[NH+]1CCC([C@H](C)O)CC1 235527257 573208176 /nfs/dbraw/zinc/20/81/76/573208176.db2.gz AIWXCBFRMLZPGZ-ZJUUUORDSA-N 1 1 196.294 1.239 10 30 ADEEMO C=CCC[C@](C)([NH2+]C(C)C)C(=O)OC 132090216 573208369 /nfs/dbraw/zinc/20/83/69/573208369.db2.gz BMOBUHINBKLGEK-NSHDSACASA-N 1 1 199.294 1.882 10 30 ADEEMO C#CC[NH2+][C@H](CC)c1nccn1C 132098221 573208424 /nfs/dbraw/zinc/20/84/24/573208424.db2.gz REBFAFLOWQDWID-SECBINFHSA-N 1 1 177.251 1.094 10 30 ADEEMO C=CC[C@H](C)[N@H+]1C[C@@H](N)C(C)(C)C1 642876019 573208457 /nfs/dbraw/zinc/20/84/57/573208457.db2.gz MUBMNTQOCBOBTE-VHSXEESVSA-N 1 1 182.311 1.620 10 30 ADEEMO C=CC[C@H](C)N1C[C@@H]([NH3+])C(C)(C)C1 642876019 573208464 /nfs/dbraw/zinc/20/84/64/573208464.db2.gz MUBMNTQOCBOBTE-VHSXEESVSA-N 1 1 182.311 1.620 10 30 ADEEMO C#CC[N@@H+](C)Cc1cncc(C#N)c1 1144079595 758120900 /nfs/dbraw/zinc/12/09/00/758120900.db2.gz WGZNSFJBPBAIMM-UHFFFAOYSA-N 1 1 185.230 1.018 10 30 ADEEMO C#CC[N@H+](C)Cc1cncc(C#N)c1 1144079595 758120911 /nfs/dbraw/zinc/12/09/11/758120911.db2.gz WGZNSFJBPBAIMM-UHFFFAOYSA-N 1 1 185.230 1.018 10 30 ADEEMO C=CC[N@@H+](C)Cc1cncc(C#N)c1 1144079364 758121953 /nfs/dbraw/zinc/12/19/53/758121953.db2.gz LMHFMRQGFVSXPD-UHFFFAOYSA-N 1 1 187.246 1.571 10 30 ADEEMO C=CC[N@H+](C)Cc1cncc(C#N)c1 1144079364 758121969 /nfs/dbraw/zinc/12/19/69/758121969.db2.gz LMHFMRQGFVSXPD-UHFFFAOYSA-N 1 1 187.246 1.571 10 30 ADEEMO N#CC1([C@H]([NH3+])c2ccccc2)CC1 259379957 573214450 /nfs/dbraw/zinc/21/44/50/573214450.db2.gz KYMJKXWXKQMOMW-SNVBAGLBSA-N 1 1 172.231 1.990 10 30 ADEEMO C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cn1 1144153996 758131187 /nfs/dbraw/zinc/13/11/87/758131187.db2.gz UWGFPJCQNUZYOG-SECBINFHSA-N 1 1 187.246 1.547 10 30 ADEEMO C[C@@H]1CC[N@H+]1Cc1ccc(C#N)cn1 1144153996 758131206 /nfs/dbraw/zinc/13/12/06/758131206.db2.gz UWGFPJCQNUZYOG-SECBINFHSA-N 1 1 187.246 1.547 10 30 ADEEMO CC[N@@H+](C)Cc1ccc(C#N)cn1 1144149897 758131354 /nfs/dbraw/zinc/13/13/54/758131354.db2.gz MZGMGZQEPGRDNU-UHFFFAOYSA-N 1 1 175.235 1.405 10 30 ADEEMO N#CC1([C@@H]([NH3+])c2ccccc2)CC1 259379953 573214579 /nfs/dbraw/zinc/21/45/79/573214579.db2.gz KYMJKXWXKQMOMW-JTQLQIEISA-N 1 1 172.231 1.990 10 30 ADEEMO C[C@H]1CC[N@@H+]1Cc1ccc(C#N)cn1 1144153997 758139118 /nfs/dbraw/zinc/13/91/18/758139118.db2.gz UWGFPJCQNUZYOG-VIFPVBQESA-N 1 1 187.246 1.547 10 30 ADEEMO C[C@H]1CC[N@H+]1Cc1ccc(C#N)cn1 1144153997 758139144 /nfs/dbraw/zinc/13/91/44/758139144.db2.gz UWGFPJCQNUZYOG-VIFPVBQESA-N 1 1 187.246 1.547 10 30 ADEEMO N#Cc1ccc(C[NH+]2CC=CC2)nc1 1144154014 758143174 /nfs/dbraw/zinc/14/31/74/758143174.db2.gz VOUGWTFZPQKJJB-UHFFFAOYSA-N 1 1 185.230 1.325 10 30 ADEEMO C[N@H+]1CC[C@H](C=O)CC1(C)C 238308418 573218208 /nfs/dbraw/zinc/21/82/08/573218208.db2.gz AOMIUOADQOZHTI-QMMMGPOBSA-N 1 1 155.241 1.306 10 30 ADEEMO CCN[C@@]1(C#N)CC[N@@H+]2CCCC[C@@H]21 123860701 573219126 /nfs/dbraw/zinc/21/91/26/573219126.db2.gz WHGAVAJWGAPHFI-GHMZBOCLSA-N 1 1 193.294 1.116 10 30 ADEEMO CCN[C@@]1(C#N)CC[N@H+]2CCCC[C@@H]21 123860701 573219129 /nfs/dbraw/zinc/21/91/29/573219129.db2.gz WHGAVAJWGAPHFI-GHMZBOCLSA-N 1 1 193.294 1.116 10 30 ADEEMO C=C(CC)C[N@H+]1CC[C@@H](CO)[C@H]1C 308318391 573220642 /nfs/dbraw/zinc/22/06/42/573220642.db2.gz XCVDZNMVXGITOH-MNOVXSKESA-N 1 1 183.295 1.655 10 30 ADEEMO [NH3+][C@@H](C=O)c1ccc2c(c1)CCCC2 259381589 573220853 /nfs/dbraw/zinc/22/08/53/573220853.db2.gz NESOWHVDYVNNOC-LBPRGKRZSA-N 1 1 189.258 1.764 10 30 ADEEMO C=CC[N@H+](C1CC1)[C@H](CC)CN 132122914 573221009 /nfs/dbraw/zinc/22/10/09/573221009.db2.gz VRPWCFWYWVIPPJ-SECBINFHSA-N 1 1 168.284 1.374 10 30 ADEEMO C=CC[N@@H+](C1CC1)[C@H](CC)CN 132122914 573221013 /nfs/dbraw/zinc/22/10/13/573221013.db2.gz VRPWCFWYWVIPPJ-SECBINFHSA-N 1 1 168.284 1.374 10 30 ADEEMO CN[C@](C)(C#N)C[NH+]1C[C@@H](C)[C@H](C)C1 86011734 573223878 /nfs/dbraw/zinc/22/38/78/573223878.db2.gz HPWRVHRNTWMUHE-GMTAPVOTSA-N 1 1 195.310 1.076 10 30 ADEEMO N#C[C@H]1CCC[N@@H+]([C@@H]2CCCOC2)C1 224845038 573223977 /nfs/dbraw/zinc/22/39/77/573223977.db2.gz PDRAXWBBGOGFLE-GHMZBOCLSA-N 1 1 194.278 1.401 10 30 ADEEMO N#C[C@H]1CCC[N@H+]([C@@H]2CCCOC2)C1 224845038 573223983 /nfs/dbraw/zinc/22/39/83/573223983.db2.gz PDRAXWBBGOGFLE-GHMZBOCLSA-N 1 1 194.278 1.401 10 30 ADEEMO C/[NH+]=C\c1ccc2c(c1)NC(=O)CO2 308518667 573224056 /nfs/dbraw/zinc/22/40/56/573224056.db2.gz GOXKZLBVFDDZCS-WZUFQYTHSA-N 1 1 190.202 1.066 10 30 ADEEMO C[C@@H]1C[N@H+](CCC=O)C[C@@H]1C 86010863 573224127 /nfs/dbraw/zinc/22/41/27/573224127.db2.gz PNUSHZLQQWGJCI-DTORHVGOSA-N 1 1 155.241 1.163 10 30 ADEEMO C=CCOCCNc1ccc(N)[nH+]c1 308519032 573224163 /nfs/dbraw/zinc/22/41/63/573224163.db2.gz GTUFBMUJKDLCPS-UHFFFAOYSA-N 1 1 193.250 1.278 10 30 ADEEMO C=C(C[NH2+]CC)C[N@@H+](C)C[C@@H]1C[C@H]1C 299966524 573224296 /nfs/dbraw/zinc/22/42/96/573224296.db2.gz SAVIIPFZHKJHPL-NEPJUHHUSA-N 1 1 196.338 1.740 10 30 ADEEMO C=C(C[NH2+]CC)CN(C)C[C@@H]1C[C@H]1C 299966524 573224305 /nfs/dbraw/zinc/22/43/05/573224305.db2.gz SAVIIPFZHKJHPL-NEPJUHHUSA-N 1 1 196.338 1.740 10 30 ADEEMO CCC#C[C@@H](C)[N@@H+](CC)C[C@@H](C)O 308311030 573227607 /nfs/dbraw/zinc/22/76/07/573227607.db2.gz RJYNBDKKCKVDCW-GHMZBOCLSA-N 1 1 183.295 1.491 10 30 ADEEMO CCO[C@]1(C=O)CC[N@H+](C(C)C)C1 257975780 573227718 /nfs/dbraw/zinc/22/77/18/573227718.db2.gz ZBCUEJDHQGOWIS-SNVBAGLBSA-N 1 1 185.267 1.075 10 30 ADEEMO C=CCN(C1CC1)[C@@H]1CC[C@@H]1C[NH2+]C 132140530 573227760 /nfs/dbraw/zinc/22/77/60/573227760.db2.gz NEBAVQZXFNYDFP-ZYHUDNBSSA-N 1 1 194.322 1.635 10 30 ADEEMO CCC#C[C@H](C)[N@@H+](CC)C[C@H](C)O 308311032 573228060 /nfs/dbraw/zinc/22/80/60/573228060.db2.gz RJYNBDKKCKVDCW-QWRGUYRKSA-N 1 1 183.295 1.491 10 30 ADEEMO CN[C@](C)(C#N)C[N@H+]1C[C@@H](C)[C@@H](C)C1 86011730 573229307 /nfs/dbraw/zinc/22/93/07/573229307.db2.gz HPWRVHRNTWMUHE-OUAUKWLOSA-N 1 1 195.310 1.076 10 30 ADEEMO CN[C@](C)(C#N)C[N@@H+]1C[C@@H](C)[C@@H](C)C1 86011730 573229313 /nfs/dbraw/zinc/22/93/13/573229313.db2.gz HPWRVHRNTWMUHE-OUAUKWLOSA-N 1 1 195.310 1.076 10 30 ADEEMO CC[C@@H](CC#N)[N@H+](C)CCC(=O)OC 50068739 573229457 /nfs/dbraw/zinc/22/94/57/573229457.db2.gz MCKXDFDWKIVPTR-VIFPVBQESA-N 1 1 198.266 1.174 10 30 ADEEMO CC[C@@H](CC#N)[N@@H+](C)CCC(=O)OC 50068739 573229464 /nfs/dbraw/zinc/22/94/64/573229464.db2.gz MCKXDFDWKIVPTR-VIFPVBQESA-N 1 1 198.266 1.174 10 30 ADEEMO CCO[C@@]1(C=O)CC[N@H+](C(C)C)C1 257975778 573229794 /nfs/dbraw/zinc/22/97/94/573229794.db2.gz ZBCUEJDHQGOWIS-JTQLQIEISA-N 1 1 185.267 1.075 10 30 ADEEMO CC[N@H+]1CCC[C@H](CC#CC=O)C1 258239846 573229844 /nfs/dbraw/zinc/22/98/44/573229844.db2.gz PZTSYUOGQPXNRQ-NSHDSACASA-N 1 1 179.263 1.311 10 30 ADEEMO COCC[N@@H+](CCC[C@H]1CO1)C1CC1 308524780 573234389 /nfs/dbraw/zinc/23/43/89/573234389.db2.gz OVNKHODKIOSWJC-NSHDSACASA-N 1 1 199.294 1.276 10 30 ADEEMO OCC[C@@H]1CCC[N@H+]1CCC[C@H]1CO1 308525630 573234627 /nfs/dbraw/zinc/23/46/27/573234627.db2.gz OYZAMZKNCDFYEF-QWRGUYRKSA-N 1 1 199.294 1.012 10 30 ADEEMO C[C@H](O)C[C@H]1CCCCC[N@H+]1CC=O 308527494 573235530 /nfs/dbraw/zinc/23/55/30/573235530.db2.gz BLYWSYYOYNUBMI-WDEREUQCSA-N 1 1 199.294 1.201 10 30 ADEEMO C=CC[C@H]1CC[C@@H](O)C[N@@H+]1C 238322640 573235009 /nfs/dbraw/zinc/23/50/09/573235009.db2.gz GNMPQJXHUVYNHW-DTWKUNHWSA-N 1 1 155.241 1.018 10 30 ADEEMO C[C@H]1CC[N@H+](CCO[C@H](C)C#N)[C@@H]1C 308527468 573235120 /nfs/dbraw/zinc/23/51/20/573235120.db2.gz BKOVJEUWRSFOKK-HBNTYKKESA-N 1 1 196.294 1.645 10 30 ADEEMO C=CCC[NH2+][C@H](C(=O)OC)[C@@H](C)C=C 308527830 573235668 /nfs/dbraw/zinc/23/56/68/573235668.db2.gz QZYAPPQDMQRHBQ-UWVGGRQHSA-N 1 1 197.278 1.516 10 30 ADEEMO C=CCC[NH2+][C@@H](C(=O)OC)[C@@H](C)C=C 308527831 573235956 /nfs/dbraw/zinc/23/59/56/573235956.db2.gz QZYAPPQDMQRHBQ-VHSXEESVSA-N 1 1 197.278 1.516 10 30 ADEEMO C#CCC[N@H+](CC=C)[C@@H]1CCOC1 308323786 573236069 /nfs/dbraw/zinc/23/60/69/573236069.db2.gz DHLFZWDKZNEWBJ-LLVKDONJSA-N 1 1 179.263 1.287 10 30 ADEEMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1CC=O 308527493 573238898 /nfs/dbraw/zinc/23/88/98/573238898.db2.gz BLYWSYYOYNUBMI-QWRGUYRKSA-N 1 1 199.294 1.201 10 30 ADEEMO C=CCC[NH2+][C@@H](C(=O)OC)[C@H](C)C=C 308527829 573239165 /nfs/dbraw/zinc/23/91/65/573239165.db2.gz QZYAPPQDMQRHBQ-NXEZZACHSA-N 1 1 197.278 1.516 10 30 ADEEMO C[C@@H]1CC[C@@]([NH3+])(C#N)[C@H](C)C1 82860124 573239199 /nfs/dbraw/zinc/23/91/99/573239199.db2.gz YRWBIOFNFPYXQH-IWSPIJDZSA-N 1 1 152.241 1.664 10 30 ADEEMO C[C@H]1CC[C@@H](C)C[C@@]1([NH3+])C#N 82860126 573240462 /nfs/dbraw/zinc/24/04/62/573240462.db2.gz PDNXHJIBUOTWNQ-HRDYMLBCSA-N 1 1 152.241 1.664 10 30 ADEEMO C[C@@H]1CC[C@]([NH3+])(C#N)[C@H](C)C1 82860122 573240607 /nfs/dbraw/zinc/24/06/07/573240607.db2.gz YRWBIOFNFPYXQH-HLTSFMKQSA-N 1 1 152.241 1.664 10 30 ADEEMO C[C@@H]1CC[C@@H](C)[C@]([NH3+])(C#N)C1 82860128 573240754 /nfs/dbraw/zinc/24/07/54/573240754.db2.gz PDNXHJIBUOTWNQ-IWSPIJDZSA-N 1 1 152.241 1.664 10 30 ADEEMO C[C@@H]1CCC[C@]([NH3+])(C#N)[C@@H]1C 82860118 573241396 /nfs/dbraw/zinc/24/13/96/573241396.db2.gz GIBUDXZPGXQGSK-HLTSFMKQSA-N 1 1 152.241 1.664 10 30 ADEEMO CC[N@@H+](CCC#N)CCCC(C)=O 50148631 573241561 /nfs/dbraw/zinc/24/15/61/573241561.db2.gz VVFIIFCAOSXWJV-UHFFFAOYSA-N 1 1 182.267 1.591 10 30 ADEEMO CC[N@H+](CCC#N)CCCC(C)=O 50148631 573241568 /nfs/dbraw/zinc/24/15/68/573241568.db2.gz VVFIIFCAOSXWJV-UHFFFAOYSA-N 1 1 182.267 1.591 10 30 ADEEMO C=CCC[C@](C)(O)Cc1[nH+]ccn1C 132211992 573241998 /nfs/dbraw/zinc/24/19/98/573241998.db2.gz MUPRNTYSTSIPJB-NSHDSACASA-N 1 1 194.278 1.680 10 30 ADEEMO N#C[C@H](C[NH3+])c1cccc(F)c1 258606847 573242230 /nfs/dbraw/zinc/24/22/30/573242230.db2.gz OTRPEWQBAWZWNV-QMMMGPOBSA-N 1 1 164.183 1.392 10 30 ADEEMO CC[N@H+](CCC(C)=O)C[C@@H](C)C#N 50153080 573242945 /nfs/dbraw/zinc/24/29/45/573242945.db2.gz OOFJDWWEHDRSIP-VIFPVBQESA-N 1 1 182.267 1.447 10 30 ADEEMO CC[N@@H+](CCC(C)=O)C[C@@H](C)C#N 50153080 573242953 /nfs/dbraw/zinc/24/29/53/573242953.db2.gz OOFJDWWEHDRSIP-VIFPVBQESA-N 1 1 182.267 1.447 10 30 ADEEMO Cc1cc(C)c(C(=O)C[NH3+])cc1C#N 257977004 573243643 /nfs/dbraw/zinc/24/36/43/573243643.db2.gz DHZJIBBNHYTUAX-UHFFFAOYSA-N 1 1 188.230 1.317 10 30 ADEEMO CC[N@H+](CCCC(C)=O)C[C@H](C)C#N 50153299 573243717 /nfs/dbraw/zinc/24/37/17/573243717.db2.gz LARNIQONZGFZLP-SNVBAGLBSA-N 1 1 196.294 1.837 10 30 ADEEMO CC[N@@H+](CCCC(C)=O)C[C@H](C)C#N 50153299 573243723 /nfs/dbraw/zinc/24/37/23/573243723.db2.gz LARNIQONZGFZLP-SNVBAGLBSA-N 1 1 196.294 1.837 10 30 ADEEMO N#C[C@@]1([NH3+])CCC[C@H](C(F)(F)F)C1 82862949 573243789 /nfs/dbraw/zinc/24/37/89/573243789.db2.gz NPWXOMBPONGEPE-NKWVEPMBSA-N 1 1 192.184 1.960 10 30 ADEEMO CC[N@H+](CCCC(C)=O)C[C@@H](C)C#N 50153297 573245436 /nfs/dbraw/zinc/24/54/36/573245436.db2.gz LARNIQONZGFZLP-JTQLQIEISA-N 1 1 196.294 1.837 10 30 ADEEMO CC[N@@H+](CCCC(C)=O)C[C@@H](C)C#N 50153297 573245443 /nfs/dbraw/zinc/24/54/43/573245443.db2.gz LARNIQONZGFZLP-JTQLQIEISA-N 1 1 196.294 1.837 10 30 ADEEMO CCC(CC)C[N@@H+](C)C/C(N)=N/O 129151507 573245809 /nfs/dbraw/zinc/24/58/09/573245809.db2.gz LFQMZYQUTOZJSD-UHFFFAOYSA-N 1 1 187.287 1.101 10 30 ADEEMO C#CC[NH2+][C@H](C)c1ncc(CC)s1 125973586 573245857 /nfs/dbraw/zinc/24/58/57/573245857.db2.gz XUWJJZVCEQTEOY-MRVPVSSYSA-N 1 1 194.303 1.989 10 30 ADEEMO CC[N@@H+](CCC#N)CCCCC(C)=O 50148628 573246538 /nfs/dbraw/zinc/24/65/38/573246538.db2.gz GNSRRFVGGPNZRB-UHFFFAOYSA-N 1 1 196.294 1.981 10 30 ADEEMO CC[N@H+](CCC#N)CCCCC(C)=O 50148628 573246543 /nfs/dbraw/zinc/24/65/43/573246543.db2.gz GNSRRFVGGPNZRB-UHFFFAOYSA-N 1 1 196.294 1.981 10 30 ADEEMO C=CCOCCNc1ccc(N)c[nH+]1 308522565 573246973 /nfs/dbraw/zinc/24/69/73/573246973.db2.gz IGYKSLLELUIFPI-UHFFFAOYSA-N 1 1 193.250 1.278 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CC[C@H](C(=O)OC)C1 715732574 573247061 /nfs/dbraw/zinc/24/70/61/573247061.db2.gz KJXSDUKUDYRXQU-ZJUUUORDSA-N 1 1 197.278 1.446 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@@H](C(=O)OC)C1 715732572 573249198 /nfs/dbraw/zinc/24/91/98/573249198.db2.gz KJXSDUKUDYRXQU-VHSXEESVSA-N 1 1 197.278 1.446 10 30 ADEEMO C=CC[N@@H+]1C[C@@H](CO)CC1(C)C 259392018 573249339 /nfs/dbraw/zinc/24/93/39/573249339.db2.gz LTFXVIZHXGJJAP-VIFPVBQESA-N 1 1 169.268 1.265 10 30 ADEEMO C=C(CO)[C@@H]1CCC[N@H+](C(C)C)C1 258246179 573249384 /nfs/dbraw/zinc/24/93/84/573249384.db2.gz QKCFCNDRXUCWBF-LLVKDONJSA-N 1 1 183.295 1.655 10 30 ADEEMO COCCC[N@H+]1C[C@@H](C#N)CC1(C)C 259391883 573249578 /nfs/dbraw/zinc/24/95/78/573249578.db2.gz LSLKDIANLWOXKD-SNVBAGLBSA-N 1 1 196.294 1.647 10 30 ADEEMO N#C[C@H](C[NH3+])c1ccc2ncoc2c1 259391785 573251024 /nfs/dbraw/zinc/25/10/24/573251024.db2.gz AMCBGTCUAFJGAV-QMMMGPOBSA-N 1 1 187.202 1.394 10 30 ADEEMO C=CC[N@H+]1C[C@H](C)NC[C@@H]1C(C)C 223628242 573253729 /nfs/dbraw/zinc/25/37/29/573253729.db2.gz XXLMCTAHAJJJPI-WDEREUQCSA-N 1 1 182.311 1.491 10 30 ADEEMO C=CC[N@@H+]1C[C@H](C)NC[C@@H]1C(C)C 223628242 573253735 /nfs/dbraw/zinc/25/37/35/573253735.db2.gz XXLMCTAHAJJJPI-WDEREUQCSA-N 1 1 182.311 1.491 10 30 ADEEMO Cc1nc[nH]c1C[NH2+]CC(C)(C)C#N 129195048 573255389 /nfs/dbraw/zinc/25/53/89/573255389.db2.gz DYVKSFSIUPGVPO-UHFFFAOYSA-N 1 1 192.266 1.358 10 30 ADEEMO CC[C@H]1CC[N@@H+](CCC[C@H]2CO2)C1 308328152 573255409 /nfs/dbraw/zinc/25/54/09/573255409.db2.gz IIJYBGMVYFFXJW-QWRGUYRKSA-N 1 1 183.295 1.897 10 30 ADEEMO C=C(CC)C[N@@H+]1CCN[C@H](CC)C1 313484809 573255502 /nfs/dbraw/zinc/25/55/02/573255502.db2.gz RCTDEEWFXVHRJK-LLVKDONJSA-N 1 1 182.311 1.636 10 30 ADEEMO C=C(CC)C[N@H+]1CCN[C@H](CC)C1 313484809 573255507 /nfs/dbraw/zinc/25/55/07/573255507.db2.gz RCTDEEWFXVHRJK-LLVKDONJSA-N 1 1 182.311 1.636 10 30 ADEEMO C[C@]1(C#N)CCC2(CCOCC2)[NH2+]1 259397092 573255711 /nfs/dbraw/zinc/25/57/11/573255711.db2.gz AZNLFCJLYXPLHD-SECBINFHSA-N 1 1 180.251 1.201 10 30 ADEEMO C[C@H]([N@@H+](C)C[C@@H]1CO1)C(C)(C)C 42763587 573256859 /nfs/dbraw/zinc/25/68/59/573256859.db2.gz SDXULFJXGYLCCQ-DTWKUNHWSA-N 1 1 171.284 1.752 10 30 ADEEMO C=CC[N@H+]1C[C@@H](C)NC[C@@H]1C(C)C 223628189 573257180 /nfs/dbraw/zinc/25/71/80/573257180.db2.gz XXLMCTAHAJJJPI-GHMZBOCLSA-N 1 1 182.311 1.491 10 30 ADEEMO C=CC[N@@H+]1C[C@@H](C)NC[C@@H]1C(C)C 223628189 573257183 /nfs/dbraw/zinc/25/71/83/573257183.db2.gz XXLMCTAHAJJJPI-GHMZBOCLSA-N 1 1 182.311 1.491 10 30 ADEEMO CCC[N@@H+](C)C/C=C\CS 211624556 573257192 /nfs/dbraw/zinc/25/71/92/573257192.db2.gz WDVAYOXUJDRLST-PLNGDYQASA-N 1 1 159.298 1.814 10 30 ADEEMO CC[C@@H](C)ON=C1C[N@@H+](C)C[C@H]1C 308332930 573260017 /nfs/dbraw/zinc/26/00/17/573260017.db2.gz JRRRKIRPQKFCFP-RKDXNWHRSA-N 1 1 184.283 1.739 10 30 ADEEMO C/N=C(\SC)[C@@H]1CCC[N@@H+](C)C1 259401215 573270361 /nfs/dbraw/zinc/27/03/61/573270361.db2.gz YQEYOSOMQQCSAS-SREPSJJZSA-N 1 1 186.324 1.720 10 30 ADEEMO CCC[N@@H+](C[C@@H](C)C#N)[C@@H]1CCOC1 308535528 573271004 /nfs/dbraw/zinc/27/10/04/573271004.db2.gz RSYKABMWLTUADY-WDEREUQCSA-N 1 1 196.294 1.647 10 30 ADEEMO CC[C@H](C)[N@H+]1CCC[C@H](NCC#N)C1 259399562 573275797 /nfs/dbraw/zinc/27/57/97/573275797.db2.gz RJGFZIGKXUCQJY-QWRGUYRKSA-N 1 1 195.310 1.362 10 30 ADEEMO N#C[C@]1(NC2CCCC2)CCC[NH2+]C1 86161480 573276106 /nfs/dbraw/zinc/27/61/06/573276106.db2.gz LSOVSNJJVHMWIM-LLVKDONJSA-N 1 1 193.294 1.164 10 30 ADEEMO CNc1cc([C@H]([NH3+])CC#N)ccn1 238330521 573276157 /nfs/dbraw/zinc/27/61/57/573276157.db2.gz WMUVMJOCNZSFLK-MRVPVSSYSA-N 1 1 176.223 1.037 10 30 ADEEMO CC[C@@H](C)N[C@@]1(C#N)CCC[NH2+]C1 86161495 573276161 /nfs/dbraw/zinc/27/61/61/573276161.db2.gz WEBKMTKBMPHMOW-NXEZZACHSA-N 1 1 181.283 1.020 10 30 ADEEMO Cc1cccc([C@@H](C=O)[NH+](C)C)c1 259400377 573279200 /nfs/dbraw/zinc/27/92/00/573279200.db2.gz HICJLDKIBNDTCP-LLVKDONJSA-N 1 1 177.247 1.797 10 30 ADEEMO CCC[N@@H+](CC=O)C(C)C 105789419 573279324 /nfs/dbraw/zinc/27/93/24/573279324.db2.gz XMLCUGMRYAMRHL-UHFFFAOYSA-N 1 1 143.230 1.306 10 30 ADEEMO C=CCCC[NH2+][C@@H](CC)C(=O)OCC 308540069 573281064 /nfs/dbraw/zinc/28/10/64/573281064.db2.gz MKIHDHDDRMIVGD-JTQLQIEISA-N 1 1 199.294 1.884 10 30 ADEEMO CC[C@@H](C)[N@@H+](CC)CC=O 105789444 573281263 /nfs/dbraw/zinc/28/12/63/573281263.db2.gz CLWMCUWGCNBPRA-MRVPVSSYSA-N 1 1 143.230 1.306 10 30 ADEEMO C[N@H+]1CC[C@@H](F)[C@@H](CC#N)C1 259604762 573283693 /nfs/dbraw/zinc/28/36/93/573283693.db2.gz FOOQPHMSHJMMHG-JGVFFNPUSA-N 1 1 156.204 1.190 10 30 ADEEMO CCO[C@@H]1CC[N@@H+](C)C[C@@H]1CC#N 259402949 573283864 /nfs/dbraw/zinc/28/38/64/573283864.db2.gz BRTVWKOTOLFDLN-VHSXEESVSA-N 1 1 182.267 1.257 10 30 ADEEMO C=CCCC[NH2+][C@H](CC)C(=O)OCC 308540073 573284385 /nfs/dbraw/zinc/28/43/85/573284385.db2.gz MKIHDHDDRMIVGD-SNVBAGLBSA-N 1 1 199.294 1.884 10 30 ADEEMO COc1ccccc1[C@H]([NH3+])S 259403046 573284662 /nfs/dbraw/zinc/28/46/62/573284662.db2.gz LWRGLZKNYWKBEO-MRVPVSSYSA-N 1 1 169.249 1.582 10 30 ADEEMO CCC[C@@](C)(C=O)C[NH+]1CC(OC)C1 308538859 573284827 /nfs/dbraw/zinc/28/48/27/573284827.db2.gz NEHCQTCMIJMJPH-LLVKDONJSA-N 1 1 199.294 1.322 10 30 ADEEMO CCO[C@@H]1CC[N@@H+](C)C[C@H]1CC#N 259402940 573285092 /nfs/dbraw/zinc/28/50/92/573285092.db2.gz BRTVWKOTOLFDLN-NXEZZACHSA-N 1 1 182.267 1.257 10 30 ADEEMO C[N@H+]1CC[C@@H](F)[C@H](CC#N)C1 259604756 573285138 /nfs/dbraw/zinc/28/51/38/573285138.db2.gz FOOQPHMSHJMMHG-HTQZYQBOSA-N 1 1 156.204 1.190 10 30 ADEEMO C[N@H+]1CC[C@H](c2ncsc2C#N)C1 259403793 573285284 /nfs/dbraw/zinc/28/52/84/573285284.db2.gz XPUFBFFCQAVVNJ-ZETCQYMHSA-N 1 1 193.275 1.434 10 30 ADEEMO N#CCC[N@@H+](CCC[C@H]1CO1)C1CC1 308533798 573285346 /nfs/dbraw/zinc/28/53/46/573285346.db2.gz RHWNSPWAUJBWCK-NSHDSACASA-N 1 1 194.278 1.543 10 30 ADEEMO C[N@H+]1CCC[C@@H](C(=O)C(C)(C)C#N)C1 259067050 573285389 /nfs/dbraw/zinc/28/53/89/573285389.db2.gz DEOZPDBITVQMNH-SECBINFHSA-N 1 1 194.278 1.447 10 30 ADEEMO COc1ccccc1[C@@H]([NH3+])S 259403047 573286153 /nfs/dbraw/zinc/28/61/53/573286153.db2.gz LWRGLZKNYWKBEO-QMMMGPOBSA-N 1 1 169.249 1.582 10 30 ADEEMO CC[C@H](C#N)CNC[C@@H]1CC[N@@H+](C)C1 259067547 573286319 /nfs/dbraw/zinc/28/63/19/573286319.db2.gz UEDQXQGSPDRJDN-MNOVXSKESA-N 1 1 195.310 1.077 10 30 ADEEMO CC[C@@H](C#N)CNC[C@H]1CC[N@@H+](C)C1 259067549 573286350 /nfs/dbraw/zinc/28/63/50/573286350.db2.gz UEDQXQGSPDRJDN-WDEREUQCSA-N 1 1 195.310 1.077 10 30 ADEEMO CC[C@@H](C#N)CNC[C@@H]1CC[N@@H+](C)C1 259067548 573286433 /nfs/dbraw/zinc/28/64/33/573286433.db2.gz UEDQXQGSPDRJDN-QWRGUYRKSA-N 1 1 195.310 1.077 10 30 ADEEMO C[N@H+]1CCC[C@H]1C/C=C\CC=O 258280011 573288254 /nfs/dbraw/zinc/28/82/54/573288254.db2.gz SMOSOFNEJSNAQV-MXQLGCADSA-N 1 1 167.252 1.616 10 30 ADEEMO C=C(CO)C[C@@H]1CC[N@H+](CC)C1 258277984 573288286 /nfs/dbraw/zinc/28/82/86/573288286.db2.gz SJENCRBINHNEJO-JTQLQIEISA-N 1 1 169.268 1.267 10 30 ADEEMO C#CCCC[N@H+](CCC)[C@@H]1CCOC1 308541585 573288332 /nfs/dbraw/zinc/28/83/32/573288332.db2.gz UIOJFWZFCLWHKK-GFCCVEGCSA-N 1 1 195.306 1.901 10 30 ADEEMO CC[C@@H](C#N)[C@@H]([NH2+]C)c1cc[nH]c1 259406206 573288493 /nfs/dbraw/zinc/28/84/93/573288493.db2.gz XGXFDTRYQQNTGS-WCBMZHEXSA-N 1 1 177.251 1.825 10 30 ADEEMO C[N@H+]1CCC[C@@H]([C@@]2(C)CO2)C1 259404159 573290808 /nfs/dbraw/zinc/29/08/08/573290808.db2.gz SHBUIJUKLKXPHG-RKDXNWHRSA-N 1 1 155.241 1.117 10 30 ADEEMO CSc1ccc([C@@H]([NH3+])C=O)cc1 259407254 573294273 /nfs/dbraw/zinc/29/42/73/573294273.db2.gz OKDYBMQFAXFZDS-VIFPVBQESA-N 1 1 181.260 1.607 10 30 ADEEMO CO/N=C/[C@H]1Cc2ccccc2C[NH2+]1 238336116 573296945 /nfs/dbraw/zinc/29/69/45/573296945.db2.gz MAQKIJMYGSIQST-KAQJVSAMSA-N 1 1 190.246 1.333 10 30 ADEEMO CC[N@H+](CC=O)Cc1ccccc1 106395979 573297747 /nfs/dbraw/zinc/29/77/47/573297747.db2.gz LRJCAKIAKDQXLT-UHFFFAOYSA-N 1 1 177.247 1.707 10 30 ADEEMO CC[N@@H+](CC=O)Cc1ccccc1 106395979 573297755 /nfs/dbraw/zinc/29/77/55/573297755.db2.gz LRJCAKIAKDQXLT-UHFFFAOYSA-N 1 1 177.247 1.707 10 30 ADEEMO CC[C@@H](C#N)C[NH2+]Cc1ccc[nH]1 259075303 573297907 /nfs/dbraw/zinc/29/79/07/573297907.db2.gz UVXIQNQSHSNLQO-VIFPVBQESA-N 1 1 177.251 1.654 10 30 ADEEMO C[N@H+]1CC[C@H]([C@H]2C[C@H]2C#N)C1 259076860 573305918 /nfs/dbraw/zinc/30/59/18/573305918.db2.gz IABDORMNKVBYRL-XHNCKOQMSA-N 1 1 150.225 1.098 10 30 ADEEMO C=CCC[C@H](C)[N@H+]1CCN[C@@H](C)C1 308543648 573306236 /nfs/dbraw/zinc/30/62/36/573306236.db2.gz MJKUOTJGXQDZAA-QWRGUYRKSA-N 1 1 182.311 1.635 10 30 ADEEMO C=CCC[C@H](C)N1CC[NH2+][C@@H](C)C1 308543648 573306241 /nfs/dbraw/zinc/30/62/41/573306241.db2.gz MJKUOTJGXQDZAA-QWRGUYRKSA-N 1 1 182.311 1.635 10 30 ADEEMO Cc1nc2cc([C@H]([NH3+])C=O)ccc2o1 259411910 573309844 /nfs/dbraw/zinc/30/98/44/573309844.db2.gz OOPSVZIZSHWTNP-MRVPVSSYSA-N 1 1 190.202 1.335 10 30 ADEEMO C=CC[N@H+]1CC[C@@H](CCO)C(C)(C)C1 259413168 573310326 /nfs/dbraw/zinc/31/03/26/573310326.db2.gz YRKQASRHDVUDPB-NSHDSACASA-N 1 1 197.322 1.903 10 30 ADEEMO C[N@H+]1CCC=C(CCS)C1 258255413 573311770 /nfs/dbraw/zinc/31/17/70/573311770.db2.gz YCCWSEATUQCRLZ-UHFFFAOYSA-N 1 1 157.282 1.568 10 30 ADEEMO CC[C@H](C#N)[C@@H]([NH2+]C)c1ccncc1 259413131 573314387 /nfs/dbraw/zinc/31/43/87/573314387.db2.gz XTMUGBYDDJTDBX-MWLCHTKSSA-N 1 1 189.262 1.892 10 30 ADEEMO CCOc1ccc([C@@H]([NH3+])C=O)cc1C 259413767 573314426 /nfs/dbraw/zinc/31/44/26/573314426.db2.gz OQPJFVNQOIEUDC-JTQLQIEISA-N 1 1 193.246 1.592 10 30 ADEEMO COC1C[NH+](CC2(C=O)CCCC2)C1 308550113 573327932 /nfs/dbraw/zinc/32/79/32/573327932.db2.gz RIDVTCGHSCFNPM-UHFFFAOYSA-N 1 1 197.278 1.076 10 30 ADEEMO CO[C@@H]1CCC[C@H]1[N@@H+](C)[C@H](C)CC#N 308550556 573328362 /nfs/dbraw/zinc/32/83/62/573328362.db2.gz RQCFVSVJFPYOIH-GMTAPVOTSA-N 1 1 196.294 1.788 10 30 ADEEMO C[N@H+]1CCC[C@@H](C(=O)CCC#N)C1 259086158 573337427 /nfs/dbraw/zinc/33/74/27/573337427.db2.gz BLDHSUCSHUNWOZ-SECBINFHSA-N 1 1 180.251 1.201 10 30 ADEEMO C[NH2+][C@@H](C=O)c1ccc(OC)c(F)c1 259423436 573337540 /nfs/dbraw/zinc/33/75/40/573337540.db2.gz NPBGYXJTAMJYGI-VIFPVBQESA-N 1 1 197.209 1.294 10 30 ADEEMO CC[C@@](C)(C#N)CC[NH+]1CCOCC1 308554101 573341478 /nfs/dbraw/zinc/34/14/78/573341478.db2.gz RHSGAAMAPHOOIX-LLVKDONJSA-N 1 1 196.294 1.649 10 30 ADEEMO CC(C)[C@H](C#N)C[NH2+]Cc1ccc[nH]1 259091046 573341739 /nfs/dbraw/zinc/34/17/39/573341739.db2.gz WDDJELMCHDIQEJ-SNVBAGLBSA-N 1 1 191.278 1.900 10 30 ADEEMO C=CC[C@H](C)[N@@H+]1CCC[C@H]1C#N 715775388 573344495 /nfs/dbraw/zinc/34/44/95/573344495.db2.gz SMBWMEVDLBJVQT-UWVGGRQHSA-N 1 1 164.252 1.939 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CCC[C@H]1C#N 715775388 573344501 /nfs/dbraw/zinc/34/45/01/573344501.db2.gz SMBWMEVDLBJVQT-UWVGGRQHSA-N 1 1 164.252 1.939 10 30 ADEEMO C=C(C(=O)OC)[C@@H]1CCC[N@H+](CC)C1 258288171 573346385 /nfs/dbraw/zinc/34/63/85/573346385.db2.gz SZIVTJFOAWATOA-SNVBAGLBSA-N 1 1 197.278 1.448 10 30 ADEEMO C[N@H+]1CCCC[C@@H]1CC=O 107115792 573350497 /nfs/dbraw/zinc/35/04/97/573350497.db2.gz KQLRMRGFMYZJAV-MRVPVSSYSA-N 1 1 141.214 1.060 10 30 ADEEMO C#Cc1cc(N(C)C)cc[nH+]1 209785150 573353228 /nfs/dbraw/zinc/35/32/28/573353228.db2.gz XXJDFUBOQFLDAM-UHFFFAOYSA-N 1 1 146.193 1.129 10 30 ADEEMO C=CCO[C@@H](C)CN1CCC([NH3+])CC1 308558544 573353705 /nfs/dbraw/zinc/35/37/05/573353705.db2.gz URDCHYQNHRWVJS-JTQLQIEISA-N 1 1 198.310 1.001 10 30 ADEEMO C=CC/[NH+]=C\CNC(=O)OC(C)(C)C 308364671 573353908 /nfs/dbraw/zinc/35/39/08/573353908.db2.gz HNJDTVTZCTVJIS-XFFZJAGNSA-N 1 1 198.266 1.768 10 30 ADEEMO COc1ccc(N)cc1[C@H]([NH3+])CC#N 238368244 573354100 /nfs/dbraw/zinc/35/41/00/573354100.db2.gz FJKZAMLZZWOCOH-SECBINFHSA-N 1 1 191.234 1.191 10 30 ADEEMO COc1ccn2c[nH+]cc2c1C#N 238368981 573357178 /nfs/dbraw/zinc/35/71/78/573357178.db2.gz NAJQRYWNCFDTIH-UHFFFAOYSA-N 1 1 173.175 1.215 10 30 ADEEMO C[NH2+][C@H](CC#N)c1cccs1 259425835 573357185 /nfs/dbraw/zinc/35/71/85/573357185.db2.gz NTZBEQWOBISTPZ-SSDOTTSWSA-N 1 1 166.249 1.922 10 30 ADEEMO C=C(CO)C[C@H]1CCC[N@@H+]1C 258296413 573358910 /nfs/dbraw/zinc/35/89/10/573358910.db2.gz UKAXFYKMRLGNAV-SECBINFHSA-N 1 1 155.241 1.019 10 30 ADEEMO C=CCC[C@H](C)[N@H+](C)[C@@H](C)CN 308364989 573358930 /nfs/dbraw/zinc/35/89/30/573358930.db2.gz HCIBFBAMFUZHKJ-UWVGGRQHSA-N 1 1 170.300 1.620 10 30 ADEEMO C=CCC[C@H](C)N(C)[C@@H](C)C[NH3+] 308364989 573358938 /nfs/dbraw/zinc/35/89/38/573358938.db2.gz HCIBFBAMFUZHKJ-UWVGGRQHSA-N 1 1 170.300 1.620 10 30 ADEEMO C=C(CO)C[C@H]1CC[N@H+](C(C)C)C1 258294538 573358996 /nfs/dbraw/zinc/35/89/96/573358996.db2.gz UFWHNHIKLNSBEH-LLVKDONJSA-N 1 1 183.295 1.655 10 30 ADEEMO Cc1[nH+]ccn1-c1ccncc1C#N 307087307 573359139 /nfs/dbraw/zinc/35/91/39/573359139.db2.gz LFTGLVCAJCGHFS-UHFFFAOYSA-N 1 1 184.202 1.447 10 30 ADEEMO C[N@@H+]1CCO[C@@H]2CC[C@@H](C#N)C[C@H]21 259609294 573359203 /nfs/dbraw/zinc/35/92/03/573359203.db2.gz FVSYSSWRWAGIBH-OPRDCNLKSA-N 1 1 180.251 1.009 10 30 ADEEMO C[N@H+]1CCO[C@@H]2CC[C@@H](C#N)C[C@H]21 259609294 573359207 /nfs/dbraw/zinc/35/92/07/573359207.db2.gz FVSYSSWRWAGIBH-OPRDCNLKSA-N 1 1 180.251 1.009 10 30 ADEEMO C#CC[N@H+](CCOC)[C@H]1CCSC1 308365290 573359285 /nfs/dbraw/zinc/35/92/85/573359285.db2.gz NVQHNMKWFPAQKT-JTQLQIEISA-N 1 1 199.319 1.074 10 30 ADEEMO C[NH2+][C@H](S)c1ccc2ncoc2c1 259427925 573364175 /nfs/dbraw/zinc/36/41/75/573364175.db2.gz NWQRUJCWTIHSCF-SECBINFHSA-N 1 1 194.259 1.976 10 30 ADEEMO C[NH2+][C@@H](S)c1ccc2ncoc2c1 259427927 573364186 /nfs/dbraw/zinc/36/41/86/573364186.db2.gz NWQRUJCWTIHSCF-VIFPVBQESA-N 1 1 194.259 1.976 10 30 ADEEMO C=C(C[NH2+]C)[C@H]1CCCCN1C 258015720 573374452 /nfs/dbraw/zinc/37/44/52/573374452.db2.gz BILVAHRCHUUXDI-SNVBAGLBSA-N 1 1 168.284 1.246 10 30 ADEEMO CC[C@]([NH3+])(C#N)C1CC1 83057472 573382888 /nfs/dbraw/zinc/38/28/88/573382888.db2.gz BJLPSFUTYVMOMI-ZETCQYMHSA-N 1 1 124.187 1.027 10 30 ADEEMO C#CC[NH2+][C@@H](C)c1c(CC)noc1C 308566693 573385401 /nfs/dbraw/zinc/38/54/01/573385401.db2.gz AWXUWZNWQJEHDH-QMMMGPOBSA-N 1 1 192.262 1.829 10 30 ADEEMO C=CCN(CC)C[C@@H]1CCC[NH2+]C1 133342632 573389325 /nfs/dbraw/zinc/38/93/25/573389325.db2.gz DYFQHMHGNRHKCE-LLVKDONJSA-N 1 1 182.311 1.494 10 30 ADEEMO Cc1[nH+]cc2n1CCC[C@@H]2C=O 107160293 573389447 /nfs/dbraw/zinc/38/94/47/573389447.db2.gz STYIUIZPSXTIIR-MRVPVSSYSA-N 1 1 164.208 1.268 10 30 ADEEMO CC[C@H](CC#N)N(C)[C@@H]1CC[N@@H+](C)C1 308568625 573395467 /nfs/dbraw/zinc/39/54/67/573395467.db2.gz JCUZSCMZGAZJFI-GHMZBOCLSA-N 1 1 195.310 1.315 10 30 ADEEMO C[C@@H]1CCC[C@H](C[N@@H+](C)CC=O)C1 714689417 573395485 /nfs/dbraw/zinc/39/54/85/573395485.db2.gz UXFOFZJTISOCEW-MNOVXSKESA-N 1 1 183.295 1.943 10 30 ADEEMO CC[C@@H](CC#N)N(C)[C@@H]1CC[N@@H+](C)C1 308568630 573395905 /nfs/dbraw/zinc/39/59/05/573395905.db2.gz JCUZSCMZGAZJFI-WDEREUQCSA-N 1 1 195.310 1.315 10 30 ADEEMO C=C[C@H]([NH3+])c1occc1OC 238388094 573401152 /nfs/dbraw/zinc/40/11/52/573401152.db2.gz QEOIEACSOGOYJV-LURJTMIESA-N 1 1 153.181 1.474 10 30 ADEEMO CC[C@@H](CC#N)[N@@H+](C)C(C)(C)CO 133447122 573401537 /nfs/dbraw/zinc/40/15/37/573401537.db2.gz KFMFUKBHHDQXIS-VIFPVBQESA-N 1 1 184.283 1.381 10 30 ADEEMO C=CC[NH2+]C1(CN)C[C@@H](C)O[C@H](C)C1 133457877 573402752 /nfs/dbraw/zinc/40/27/52/573402752.db2.gz QFMBCWOFKXEONM-NXEZZACHSA-N 1 1 198.310 1.047 10 30 ADEEMO C=CCNC1(C[NH3+])C[C@@H](C)O[C@H](C)C1 133457877 573402757 /nfs/dbraw/zinc/40/27/57/573402757.db2.gz QFMBCWOFKXEONM-NXEZZACHSA-N 1 1 198.310 1.047 10 30 ADEEMO C#CC(C)(C)[N@@H+]1CCNC(C)(C)C1 83100252 573403469 /nfs/dbraw/zinc/40/34/69/573403469.db2.gz CUOSMJNFIRIFPD-UHFFFAOYSA-N 1 1 180.295 1.082 10 30 ADEEMO C#CC(C)(C)[N@H+]1CCNC(C)(C)C1 83100252 573403471 /nfs/dbraw/zinc/40/34/71/573403471.db2.gz CUOSMJNFIRIFPD-UHFFFAOYSA-N 1 1 180.295 1.082 10 30 ADEEMO C=C(C)C[N@H+](CC)Cc1cnc(N)o1 308576714 573403487 /nfs/dbraw/zinc/40/34/87/573403487.db2.gz NCDPCPONQOPEMQ-UHFFFAOYSA-N 1 1 195.266 1.655 10 30 ADEEMO C[N@@H+](CC1(CC#N)CC1)C(C)(C)CO 133453949 573403504 /nfs/dbraw/zinc/40/35/04/573403504.db2.gz IAVGVGZGKHZRFE-UHFFFAOYSA-N 1 1 196.294 1.383 10 30 ADEEMO C=C(C)C[N@H+]1CC[C@H](C)C[C@@H]1CN 235594885 573403564 /nfs/dbraw/zinc/40/35/64/573403564.db2.gz BJRPNPKISHIJTF-WDEREUQCSA-N 1 1 182.311 1.622 10 30 ADEEMO C=C(C)C[N@@H+]1CC[C@H](C)C[C@@H]1CN 235594885 573403570 /nfs/dbraw/zinc/40/35/70/573403570.db2.gz BJRPNPKISHIJTF-WDEREUQCSA-N 1 1 182.311 1.622 10 30 ADEEMO C=CCCC[NH2+]C1(C(=O)OC)CCC1 308575109 573404476 /nfs/dbraw/zinc/40/44/76/573404476.db2.gz DCVHWAOLKYPMDE-UHFFFAOYSA-N 1 1 197.278 1.638 10 30 ADEEMO C[C@H](O)C[C@@H]1CCCC[N@H+]1CCC=O 308576025 573405237 /nfs/dbraw/zinc/40/52/37/573405237.db2.gz HIPHVISOABKOSL-QWRGUYRKSA-N 1 1 199.294 1.201 10 30 ADEEMO CN(C)[C@H](S)[C@@H]1CCC[N@@H+](C)C1 259440771 573405968 /nfs/dbraw/zinc/40/59/68/573405968.db2.gz IUDLINCEUJQWGP-RKDXNWHRSA-N 1 1 188.340 1.146 10 30 ADEEMO C[C@@H]1[C@@H](CC#N)CC[N@H+]1C 107217578 573407852 /nfs/dbraw/zinc/40/78/52/573407852.db2.gz DINGFJDUCVXMGU-SFYZADRCSA-N 1 1 138.214 1.240 10 30 ADEEMO CN(C)[C@@H](S)[C@H]1CCC[N@@H+](C)C1 259440768 573407904 /nfs/dbraw/zinc/40/79/04/573407904.db2.gz IUDLINCEUJQWGP-IUCAKERBSA-N 1 1 188.340 1.146 10 30 ADEEMO CN(C)[C@H](S)[C@H]1CCC[N@@H+](C)C1 259440766 573408088 /nfs/dbraw/zinc/40/80/88/573408088.db2.gz IUDLINCEUJQWGP-DTWKUNHWSA-N 1 1 188.340 1.146 10 30 ADEEMO N#CC1([C@H]([NH3+])c2ccc[nH]2)CCC1 259610941 573410058 /nfs/dbraw/zinc/41/00/58/573410058.db2.gz XLTIYSWAAIQLLC-SECBINFHSA-N 1 1 175.235 1.708 10 30 ADEEMO C[C@@H](O)C[C@H]1CCCC[N@H+]1C[C@@H]1CO1 308578565 573410122 /nfs/dbraw/zinc/41/01/22/573410122.db2.gz IQFYJJIGRCULGS-GMTAPVOTSA-N 1 1 199.294 1.011 10 30 ADEEMO C[C@@H]1C[C@@H](CC#N)C[N@H+]1C 107217567 573412162 /nfs/dbraw/zinc/41/21/62/573412162.db2.gz BSFHVYZXLPOXIT-HTQZYQBOSA-N 1 1 138.214 1.240 10 30 ADEEMO C[C@@H]([NH3+])c1occc1C#N 238382609 573412229 /nfs/dbraw/zinc/41/22/29/573412229.db2.gz KTFMWIMYXLKJAA-RXMQYKEDSA-N 1 1 136.154 1.171 10 30 ADEEMO CC(C)[N@H+]1CCC[C@H]([C@@H](F)C=O)C1 257810715 573414906 /nfs/dbraw/zinc/41/49/06/573414906.db2.gz AQGMOALKAFODFQ-UWVGGRQHSA-N 1 1 187.258 1.644 10 30 ADEEMO C[C@@H]1C[C@@H](CC#N)CC[N@H+]1C 107219032 573416169 /nfs/dbraw/zinc/41/61/69/573416169.db2.gz CBUDFQCJLVJTLG-BDAKNGLRSA-N 1 1 152.241 1.630 10 30 ADEEMO C[C@@H]1C[C@H](C#N)C[N@H+]1C1CC1 107218615 573416392 /nfs/dbraw/zinc/41/63/92/573416392.db2.gz PMNBHEAMNLUWAU-HTQZYQBOSA-N 1 1 150.225 1.383 10 30 ADEEMO N#C[C@@H]1CCC[N@@H+](C2CC2)C1 107218629 573418998 /nfs/dbraw/zinc/41/89/98/573418998.db2.gz TVJBVCVZGNUPJL-QMMMGPOBSA-N 1 1 150.225 1.384 10 30 ADEEMO N#C[C@@H]1CCC[N@H+](C2CC2)C1 107218629 573419004 /nfs/dbraw/zinc/41/90/04/573419004.db2.gz TVJBVCVZGNUPJL-QMMMGPOBSA-N 1 1 150.225 1.384 10 30 ADEEMO C[C@H]1C[C@@H](CC#N)CC[N@H+]1C 107219034 573419020 /nfs/dbraw/zinc/41/90/20/573419020.db2.gz CBUDFQCJLVJTLG-IUCAKERBSA-N 1 1 152.241 1.630 10 30 ADEEMO C[C@@H]1[C@H](CC#N)CCC[N@H+]1C 107219013 573419029 /nfs/dbraw/zinc/41/90/29/573419029.db2.gz YWMHTGGTMAJAQW-BDAKNGLRSA-N 1 1 152.241 1.630 10 30 ADEEMO Cc1ccc(OCCCC#N)c(N)[nH+]1 50440908 573419062 /nfs/dbraw/zinc/41/90/62/573419062.db2.gz AHDRKUFLEWLDFG-UHFFFAOYSA-N 1 1 191.234 1.655 10 30 ADEEMO CC[C@H]1C[C@@H](C#N)C[N@H+]1C1CC1 107221449 573423324 /nfs/dbraw/zinc/42/33/24/573423324.db2.gz MZQQMZMLAFPDRO-IUCAKERBSA-N 1 1 164.252 1.773 10 30 ADEEMO C[N@H+]1CCC[C@@H](CC(F)(F)C=O)C1 257810773 573423573 /nfs/dbraw/zinc/42/35/73/573423573.db2.gz APOUCDDFJRDXNF-QMMMGPOBSA-N 1 1 191.221 1.553 10 30 ADEEMO C[C@H](CC#N)[NH+]1CC=CC1 118879181 573437058 /nfs/dbraw/zinc/43/70/58/573437058.db2.gz BPPMERFUULDLEV-MRVPVSSYSA-N 1 1 136.198 1.160 10 30 ADEEMO COc1cccc([C@](C)([NH3+])CC#N)c1 238395294 573440539 /nfs/dbraw/zinc/44/05/39/573440539.db2.gz IOONIHGNXQBNIE-LLVKDONJSA-N 1 1 190.246 1.783 10 30 ADEEMO C=C(CN)[C@@H]1CCCC[N@H+]1CC 258355522 573443329 /nfs/dbraw/zinc/44/33/29/573443329.db2.gz YVUQRPPDCBQUHD-JTQLQIEISA-N 1 1 168.284 1.376 10 30 ADEEMO C=C(CN)[C@@H]1CCCC[N@@H+]1CC 258355522 573443336 /nfs/dbraw/zinc/44/33/36/573443336.db2.gz YVUQRPPDCBQUHD-JTQLQIEISA-N 1 1 168.284 1.376 10 30 ADEEMO C#CCN[C@@H](CC[NH+](C)C)C(C)(C)C 308586554 573446181 /nfs/dbraw/zinc/44/61/81/573446181.db2.gz IORBVJVVWPZRFJ-NSHDSACASA-N 1 1 196.338 1.576 10 30 ADEEMO C#CC[NH2+][C@@H](CCN(C)C)C(C)(C)C 308586554 573446187 /nfs/dbraw/zinc/44/61/87/573446187.db2.gz IORBVJVVWPZRFJ-NSHDSACASA-N 1 1 196.338 1.576 10 30 ADEEMO CC(C)C[N@H+]1CC[C@H](N(C)CC#N)C1 258660866 573451950 /nfs/dbraw/zinc/45/19/50/573451950.db2.gz UNYKCYHYYXKMRL-NSHDSACASA-N 1 1 195.310 1.172 10 30 ADEEMO C#CCC[NH2+][C@H](C)c1nnc(CC)o1 308589383 573451985 /nfs/dbraw/zinc/45/19/85/573451985.db2.gz JRNWFKUAIBSEOR-MRVPVSSYSA-N 1 1 193.250 1.306 10 30 ADEEMO C=CCC[C@H]([NH2+]CC(=O)OC)C1CC1 308588588 573452000 /nfs/dbraw/zinc/45/20/00/573452000.db2.gz JJNZACWASZBVKJ-JTQLQIEISA-N 1 1 197.278 1.494 10 30 ADEEMO C=C(C[C@H]1CC[N@@H+](C)C1)C(=O)OC 258359342 573454717 /nfs/dbraw/zinc/45/47/17/573454717.db2.gz ZEDRRSGWYJOSGW-SECBINFHSA-N 1 1 183.251 1.057 10 30 ADEEMO CC[C@@H](C)[N@@H+]1CCC[C@@](N)(C#N)C1 259456707 573454734 /nfs/dbraw/zinc/45/47/34/573454734.db2.gz WPTUIOHOECUACD-NXEZZACHSA-N 1 1 181.283 1.102 10 30 ADEEMO CC[C@@H](C)[N@H+]1CCC[C@@](N)(C#N)C1 259456707 573454738 /nfs/dbraw/zinc/45/47/38/573454738.db2.gz WPTUIOHOECUACD-NXEZZACHSA-N 1 1 181.283 1.102 10 30 ADEEMO C[C@@H]1CCCc2[nH+]cc(CC#N)n21 214112579 571716884 /nfs/dbraw/zinc/71/68/84/571716884.db2.gz NISSXPCIRPUPGL-MRVPVSSYSA-N 1 1 175.235 1.846 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@@H+](C)[C@@H](C)CCC 300770597 571909175 /nfs/dbraw/zinc/90/91/75/571909175.db2.gz AYOMLZYVPZEMIV-VHSXEESVSA-N 1 1 199.294 1.834 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@H+](C)[C@@H](C)CCC 300770597 571909177 /nfs/dbraw/zinc/90/91/77/571909177.db2.gz AYOMLZYVPZEMIV-VHSXEESVSA-N 1 1 199.294 1.834 10 30 ADEEMO C#CC[C@@H](C)[NH2+]C[C@H]1CCCCN1 235435920 571909182 /nfs/dbraw/zinc/90/91/82/571909182.db2.gz GFDTYRZXNSQTEM-GHMZBOCLSA-N 1 1 180.295 1.130 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@@H+](C)[C@H](C)CCC 300770594 571909277 /nfs/dbraw/zinc/90/92/77/571909277.db2.gz AYOMLZYVPZEMIV-NXEZZACHSA-N 1 1 199.294 1.834 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@H+](C)[C@H](C)CCC 300770594 571909280 /nfs/dbraw/zinc/90/92/80/571909280.db2.gz AYOMLZYVPZEMIV-NXEZZACHSA-N 1 1 199.294 1.834 10 30 ADEEMO C[N@H+]1CC[C@@H](/C=C/CC#N)C1 687677988 571910343 /nfs/dbraw/zinc/91/03/43/571910343.db2.gz OVPAWUJJMVQOPO-HDMKULJXSA-N 1 1 150.225 1.408 10 30 ADEEMO C#C[C@@H]([NH2+]CCC)c1cc(C)n(C)n1 300806588 571943335 /nfs/dbraw/zinc/94/33/35/571943335.db2.gz BKSYSAFZRJTCND-SNVBAGLBSA-N 1 1 191.278 1.402 10 30 ADEEMO C[N@H+]1CCC[C@H](C/C=C/CC=O)C1 687680038 571922615 /nfs/dbraw/zinc/92/26/15/571922615.db2.gz MSTWSSCCCGMXHX-VUDBWIFFSA-N 1 1 181.279 1.864 10 30 ADEEMO CC[N@H+]1CCC[C@H](/C=C/CC=O)C1 687680046 571923312 /nfs/dbraw/zinc/92/33/12/571923312.db2.gz YYAUWMXXQHNMLI-GQOHGMTASA-N 1 1 181.279 1.864 10 30 ADEEMO C#CC[N@H+](C)[C@H]1CCCC[C@@H]1OC 687729583 571923832 /nfs/dbraw/zinc/92/38/32/571923832.db2.gz CBCOAWSPNRTJPJ-QWRGUYRKSA-N 1 1 181.279 1.509 10 30 ADEEMO C=C[C@H](C(=O)OC)n1cc[nH+]c1C 300808335 571943247 /nfs/dbraw/zinc/94/32/47/571943247.db2.gz AGIJDZUCEXURGK-MRVPVSSYSA-N 1 1 180.207 1.092 10 30 ADEEMO CC(C)/[NH+]=C/[C@@H]1OC1(C)C 137968144 573460523 /nfs/dbraw/zinc/46/05/23/573460523.db2.gz WAQGBYJWTAUISW-JGESFRBXSA-N 1 1 141.214 1.643 10 30 ADEEMO C=C[C@H](C)[NH2+]C[C@H]1CCN(C)C1 235524401 571953472 /nfs/dbraw/zinc/95/34/72/571953472.db2.gz XTZYYKWALSYSFU-VHSXEESVSA-N 1 1 168.284 1.102 10 30 ADEEMO CC[N@H+]1CCC[C@@H](/C=C\CC=O)C1 258357399 573465200 /nfs/dbraw/zinc/46/52/00/573465200.db2.gz YYAUWMXXQHNMLI-ZTYXWKCZSA-N 1 1 181.279 1.864 10 30 ADEEMO CC1(C)C[N@H+](C2CC2)C[C@@H](CC#N)N1 219411633 571972597 /nfs/dbraw/zinc/97/25/97/571972597.db2.gz QVHKASFALOVUIX-SECBINFHSA-N 1 1 193.294 1.115 10 30 ADEEMO CO[C@@H]1CC[N@@H+](C[C@@H](C)CS)C1 234832301 571972722 /nfs/dbraw/zinc/97/27/22/571972722.db2.gz FDCBTPLIRWSXDJ-RKDXNWHRSA-N 1 1 189.324 1.273 10 30 ADEEMO C[NH2+][C@@H](C=O)c1ccc(F)c(C)c1 259463139 573471943 /nfs/dbraw/zinc/47/19/43/573471943.db2.gz PRACMPYRJCHKEW-JTQLQIEISA-N 1 1 181.210 1.594 10 30 ADEEMO [NH3+]CC#CC[N@H+]1CC[C@H]2CCCC[C@@H]21 717447394 573477816 /nfs/dbraw/zinc/47/78/16/573477816.db2.gz AVKSDFSHMKUPPG-NEPJUHHUSA-N 1 1 192.306 1.213 10 30 ADEEMO Cc1cn([C@@H](C)C#N)c(C)[nH+]1 114059930 571988574 /nfs/dbraw/zinc/98/85/74/571988574.db2.gz HJGAZBSEMBUXFJ-ZETCQYMHSA-N 1 1 149.197 1.585 10 30 ADEEMO CCC(C)(C)C[N@@H+](C)[C@H](C)C=O 713178979 571991295 /nfs/dbraw/zinc/99/12/95/571991295.db2.gz DMDCFZGMSCHMGV-SECBINFHSA-N 1 1 171.284 1.942 10 30 ADEEMO CC[C@@H](C=O)[NH2+][C@H]1CCCCC1=O 238297873 572000616 /nfs/dbraw/zinc/00/06/16/572000616.db2.gz CEIRCANRMAZTKS-IUCAKERBSA-N 1 1 183.251 1.065 10 30 ADEEMO C#CCC[N@H+]1CCC(=NO)[C@@H](CC)C1 687697476 572000640 /nfs/dbraw/zinc/00/06/40/572000640.db2.gz DJKQRGWQVXRCNW-JTQLQIEISA-N 1 1 194.278 1.572 10 30 ADEEMO CCC[N@H+](CC)C[C@@](N)(C#N)C1CC1 68899477 572000658 /nfs/dbraw/zinc/00/06/58/572000658.db2.gz XMNZWXVFFXADHM-NSHDSACASA-N 1 1 195.310 1.349 10 30 ADEEMO CCC[N@@H+](CC)C[C@@](N)(C#N)C1CC1 68899477 572000660 /nfs/dbraw/zinc/00/06/60/572000660.db2.gz XMNZWXVFFXADHM-NSHDSACASA-N 1 1 195.310 1.349 10 30 ADEEMO CC[C@@H](C)[N@H+](C)C[C@@](N)(C#N)C1CC1 68898966 572000966 /nfs/dbraw/zinc/00/09/66/572000966.db2.gz DSTZRPFXAHOPRE-KOLCDFICSA-N 1 1 195.310 1.348 10 30 ADEEMO CC[C@@H](C)[N@@H+](C)C[C@@](N)(C#N)C1CC1 68898966 572000968 /nfs/dbraw/zinc/00/09/68/572000968.db2.gz DSTZRPFXAHOPRE-KOLCDFICSA-N 1 1 195.310 1.348 10 30 ADEEMO C[NH2+][C@@H](S)c1ccccc1 259100697 573481624 /nfs/dbraw/zinc/48/16/24/573481624.db2.gz AISYMEOGRJRQKN-QMMMGPOBSA-N 1 1 153.250 1.834 10 30 ADEEMO C[N@H+]1CCC[C@H]1CC(F)(F)C=O 257819094 573481704 /nfs/dbraw/zinc/48/17/04/573481704.db2.gz FGJYMHUMDJAJOI-ZETCQYMHSA-N 1 1 177.194 1.305 10 30 ADEEMO C=CCNC[C@H](C)[N@H+](CC)CC1CC1 68948811 572014677 /nfs/dbraw/zinc/01/46/77/572014677.db2.gz LJNATPGDSSGDTR-NSHDSACASA-N 1 1 196.338 1.882 10 30 ADEEMO C=CCNC[C@H](C)[N@@H+](CC)CC1CC1 68948811 572014679 /nfs/dbraw/zinc/01/46/79/572014679.db2.gz LJNATPGDSSGDTR-NSHDSACASA-N 1 1 196.338 1.882 10 30 ADEEMO CCO[C@]1(CC=O)CCC[N@@H+](CC)C1 257819302 573483467 /nfs/dbraw/zinc/48/34/67/573483467.db2.gz CWGKSPZAJBRQIZ-NSHDSACASA-N 1 1 199.294 1.466 10 30 ADEEMO CC(C)OCC[C@H]1CCC[C@]1([NH3+])C#N 86534100 573485140 /nfs/dbraw/zinc/48/51/40/573485140.db2.gz QKPFQGKYENODTK-MNOVXSKESA-N 1 1 196.294 1.823 10 30 ADEEMO CCC(C)(C)[N@@H+](C)CC[C@](C)(N)C#N 69000953 572018451 /nfs/dbraw/zinc/01/84/51/572018451.db2.gz PUHHTMBLOLWFMD-NSHDSACASA-N 1 1 197.326 1.738 10 30 ADEEMO N#CC1([C@@H]([NH3+])c2cccnc2)CCC1 259472817 573490698 /nfs/dbraw/zinc/49/06/98/573490698.db2.gz PGELYMPFXWYXBY-JTQLQIEISA-N 1 1 187.246 1.775 10 30 ADEEMO C#CCC[N@@H+]1CCC[C@@H]1CN(C)C 82494030 572029395 /nfs/dbraw/zinc/02/93/95/572029395.db2.gz LGDCPKGAZZBRLZ-LLVKDONJSA-N 1 1 180.295 1.036 10 30 ADEEMO C#CCCN1CCC[C@@H]1C[NH+](C)C 82494030 572029397 /nfs/dbraw/zinc/02/93/97/572029397.db2.gz LGDCPKGAZZBRLZ-LLVKDONJSA-N 1 1 180.295 1.036 10 30 ADEEMO CCCC[N@H+]1CCC[C@@H](NCC#N)C1 258689505 573492368 /nfs/dbraw/zinc/49/23/68/573492368.db2.gz WXSPYXJPNFMROH-LLVKDONJSA-N 1 1 195.310 1.364 10 30 ADEEMO CC#CC[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C 222682796 573492456 /nfs/dbraw/zinc/49/24/56/573492456.db2.gz JAWZRHNTFAVDME-NWDGAFQWSA-N 1 1 194.322 1.330 10 30 ADEEMO CC#CC[NH2+][C@@H]1CCN(CC)C[C@@H]1C 222682796 573492463 /nfs/dbraw/zinc/49/24/63/573492463.db2.gz JAWZRHNTFAVDME-NWDGAFQWSA-N 1 1 194.322 1.330 10 30 ADEEMO C=CCNCC[N@@H+](C)CC1CCCC1 82493200 572041836 /nfs/dbraw/zinc/04/18/36/572041836.db2.gz OISAFKKJCGAQLP-UHFFFAOYSA-N 1 1 196.338 1.884 10 30 ADEEMO C=CCNCC[N@H+](C)CC1CCCC1 82493200 572041838 /nfs/dbraw/zinc/04/18/38/572041838.db2.gz OISAFKKJCGAQLP-UHFFFAOYSA-N 1 1 196.338 1.884 10 30 ADEEMO CC[C@@H]1CCC[N@@H+](CC/C(N)=N/O)C1 36169748 572041870 /nfs/dbraw/zinc/04/18/70/572041870.db2.gz IYRWAICABDUZAP-SECBINFHSA-N 1 1 199.298 1.245 10 30 ADEEMO C[N@@H+](CCC=O)CC1CCCC1 82492559 572042874 /nfs/dbraw/zinc/04/28/74/572042874.db2.gz UORIGQDWCNZUTB-UHFFFAOYSA-N 1 1 169.268 1.697 10 30 ADEEMO CSC(=[NH2+])Nc1ccc(C#N)cc1 34141648 572060434 /nfs/dbraw/zinc/06/04/34/572060434.db2.gz ZILBIRYSIGAXRF-UHFFFAOYSA-N 1 1 191.259 1.867 10 30 ADEEMO CCC[N@@H+](C[C@@H]1CO1)C(C)C 37096130 572089505 /nfs/dbraw/zinc/08/95/05/572089505.db2.gz VGTPQBVHODIKMH-SECBINFHSA-N 1 1 157.257 1.506 10 30 ADEEMO C[C@@H]1C[C@@H]1C[N@@H+](C)CCC=O 82649135 572071841 /nfs/dbraw/zinc/07/18/41/572071841.db2.gz GFFAMXUTJFPHKX-RKDXNWHRSA-N 1 1 155.241 1.163 10 30 ADEEMO CCC[C@H](C)[N@@H+](C)C[C@@H]1CO1 36790519 572071850 /nfs/dbraw/zinc/07/18/50/572071850.db2.gz CZEFIEKNBXYKDJ-DTWKUNHWSA-N 1 1 157.257 1.506 10 30 ADEEMO C[C@H]1C[C@H]1C[N@@H+](C)CC(C)(C)C=O 82655519 572071967 /nfs/dbraw/zinc/07/19/67/572071967.db2.gz RDUPRDDOXLXMIN-UWVGGRQHSA-N 1 1 183.295 1.799 10 30 ADEEMO C=CCNC(=O)[C@@H](C)n1cc[nH+]c1C 82615280 572073408 /nfs/dbraw/zinc/07/34/08/572073408.db2.gz PLJFQBLIBATMGO-MRVPVSSYSA-N 1 1 193.250 1.055 10 30 ADEEMO CC[N@@H+]1CCCC[C@H]1C#CC(=O)OC 258040421 573493801 /nfs/dbraw/zinc/49/38/01/573493801.db2.gz CNPHNSKZACOXQH-JTQLQIEISA-N 1 1 195.262 1.037 10 30 ADEEMO CC[N@H+]1CCCC[C@H]1C#CC(=O)OC 258040421 573493807 /nfs/dbraw/zinc/49/38/07/573493807.db2.gz CNPHNSKZACOXQH-JTQLQIEISA-N 1 1 195.262 1.037 10 30 ADEEMO CC[C@@H](C)[N@@H+](CC)CC/C(N)=N/O 37113209 572096935 /nfs/dbraw/zinc/09/69/35/572096935.db2.gz DFXXEMQCQPDCMN-MRVPVSSYSA-N 1 1 187.287 1.243 10 30 ADEEMO C#C[C@H](CCC)[N@@H+]1C[C@H](C)NC[C@@H]1C 300397919 572161207 /nfs/dbraw/zinc/16/12/07/572161207.db2.gz FYMMWGIZQSYQBM-SDDRHHMPSA-N 1 1 194.322 1.471 10 30 ADEEMO C#C[C@H](CCC)[N@H+]1C[C@H](C)NC[C@@H]1C 300397919 572161209 /nfs/dbraw/zinc/16/12/09/572161209.db2.gz FYMMWGIZQSYQBM-SDDRHHMPSA-N 1 1 194.322 1.471 10 30 ADEEMO C=C(C)C[N@H+](CC)C[C@@]1(N)CCOC1 82986413 572161229 /nfs/dbraw/zinc/16/12/29/572161229.db2.gz JXPXFDZQDMSVFJ-NSHDSACASA-N 1 1 198.310 1.002 10 30 ADEEMO C=C(C)CN(CC)C[C@@]1([NH3+])CCOC1 82986413 572161231 /nfs/dbraw/zinc/16/12/31/572161231.db2.gz JXPXFDZQDMSVFJ-NSHDSACASA-N 1 1 198.310 1.002 10 30 ADEEMO C#CCCC[N@@H+]1CCC(=O)[C@H](C)[C@H]1C 300397958 572161290 /nfs/dbraw/zinc/16/12/90/572161290.db2.gz GHHHTOHYRYGOJM-GHMZBOCLSA-N 1 1 193.290 1.699 10 30 ADEEMO C[C@H]1CCC[C@@]([NH3+])(C#N)CC1 83428299 573498238 /nfs/dbraw/zinc/49/82/38/573498238.db2.gz UGGBPQBQHYOBOQ-IUCAKERBSA-N 1 1 152.241 1.808 10 30 ADEEMO COCC[C@H]1CC[N@@H+](CCC#N)C1 308398874 573499224 /nfs/dbraw/zinc/49/92/24/573499224.db2.gz GDAMUPNOMZQLEK-SNVBAGLBSA-N 1 1 182.267 1.258 10 30 ADEEMO C[C@@H](C#N)N(C)C[C@@H]1CCC[N@@H+](C)C1 258705256 573499236 /nfs/dbraw/zinc/49/92/36/573499236.db2.gz FBEMSPMJZKTJKQ-WDEREUQCSA-N 1 1 195.310 1.172 10 30 ADEEMO C=CC[N@@H+](CC)Cc1ccno1 307990289 572346631 /nfs/dbraw/zinc/34/66/31/572346631.db2.gz SQWNDYWYBJIQNQ-UHFFFAOYSA-N 1 1 166.224 1.683 10 30 ADEEMO C[C@H](C#N)C[N@H+](C)[C@@H]1CCCC(=O)C1 86600768 573506199 /nfs/dbraw/zinc/50/61/99/573506199.db2.gz FNTWKCCOTCOQTC-NXEZZACHSA-N 1 1 194.278 1.590 10 30 ADEEMO C[C@H](C#N)C[N@@H+](C)[C@@H]1CCCC(=O)C1 86600768 573506203 /nfs/dbraw/zinc/50/62/03/573506203.db2.gz FNTWKCCOTCOQTC-NXEZZACHSA-N 1 1 194.278 1.590 10 30 ADEEMO CC#CC[C@H](N)C[NH+]1CCCCC1 307112489 572346852 /nfs/dbraw/zinc/34/68/52/572346852.db2.gz PZLVROSFMUKKQN-NSHDSACASA-N 1 1 180.295 1.213 10 30 ADEEMO Cc1[nH+]cn(-c2ccnc(C#N)c2)c1C 61815246 573506402 /nfs/dbraw/zinc/50/64/02/573506402.db2.gz QGVIPJXANKAGET-UHFFFAOYSA-N 1 1 198.229 1.756 10 30 ADEEMO C=CC[NH2+][C@]1(CN)CCO[C@@H](CC)C1 83759639 572396120 /nfs/dbraw/zinc/39/61/20/572396120.db2.gz QASAZJNQQLJIMN-WDEREUQCSA-N 1 1 198.310 1.049 10 30 ADEEMO C=CCN[C@]1(C[NH3+])CCO[C@@H](CC)C1 83759639 572396122 /nfs/dbraw/zinc/39/61/22/572396122.db2.gz QASAZJNQQLJIMN-WDEREUQCSA-N 1 1 198.310 1.049 10 30 ADEEMO C#CC[NH2+][C@@](CC)(CN)C[C@@H](C)CC 83758716 572396194 /nfs/dbraw/zinc/39/61/94/572396194.db2.gz VZXYSJAWMSNILR-NWDGAFQWSA-N 1 1 196.338 1.753 10 30 ADEEMO C#CCC[N@H+](C)CCC(F)(F)F 83890263 572438064 /nfs/dbraw/zinc/43/80/64/572438064.db2.gz HGXXBCXOFKCMKY-UHFFFAOYSA-N 1 1 179.185 1.894 10 30 ADEEMO C=C1CCN([C@H](C)[C@H](C)C[NH3+])CC1 307442262 572491030 /nfs/dbraw/zinc/49/10/30/572491030.db2.gz SNBXPVIXCQJPRN-GHMZBOCLSA-N 1 1 182.311 1.622 10 30 ADEEMO CCC[C@@H](C)[N@@H+](C)[C@H](C)C=NO 714464790 572503864 /nfs/dbraw/zinc/50/38/64/572503864.db2.gz BBGOMHXWURNDNE-RKDXNWHRSA-N 1 1 172.272 1.955 10 30 ADEEMO CCC[C@H](C)[N@@H+](C)[C@@H](C)C=NO 714464789 572503871 /nfs/dbraw/zinc/50/38/71/572503871.db2.gz BBGOMHXWURNDNE-IUCAKERBSA-N 1 1 172.272 1.955 10 30 ADEEMO CC(C)[C@H]1CCC[N@H+]1CCC=O 84126615 572504746 /nfs/dbraw/zinc/50/47/46/572504746.db2.gz SBOQSOPPFUAWPV-SNVBAGLBSA-N 1 1 169.268 1.696 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCC[C@@H](CO)CC1 307478767 572504747 /nfs/dbraw/zinc/50/47/47/572504747.db2.gz FMCOVLLOJZAICF-GHMZBOCLSA-N 1 1 183.295 1.655 10 30 ADEEMO C#CCC[N@H+]1CCC[C@]12CCOC2 307414253 572504815 /nfs/dbraw/zinc/50/48/15/572504815.db2.gz ICDBUYRUWPCHSQ-LLVKDONJSA-N 1 1 179.263 1.265 10 30 ADEEMO CC[N@H+](CCC#N)[C@H]1CCO[C@@H]1C 308397183 573513245 /nfs/dbraw/zinc/51/32/45/573513245.db2.gz FAKQAYGGJUTYKV-ZJUUUORDSA-N 1 1 182.267 1.399 10 30 ADEEMO CC[N@@H+](CCC#N)[C@H]1CCO[C@@H]1C 308397183 573513250 /nfs/dbraw/zinc/51/32/50/573513250.db2.gz FAKQAYGGJUTYKV-ZJUUUORDSA-N 1 1 182.267 1.399 10 30 ADEEMO CC[N@H+](CCC#N)C1CC(OC)C1 308396513 573513857 /nfs/dbraw/zinc/51/38/57/573513857.db2.gz DMGHKPJTHFRKER-UHFFFAOYSA-N 1 1 182.267 1.399 10 30 ADEEMO CC[N@@H+](CCC#N)C1CC(OC)C1 308396513 573513862 /nfs/dbraw/zinc/51/38/62/573513862.db2.gz DMGHKPJTHFRKER-UHFFFAOYSA-N 1 1 182.267 1.399 10 30 ADEEMO C#CC[NH2+][C@@H](CN)C1CCCCCC1 84328885 572535308 /nfs/dbraw/zinc/53/53/08/572535308.db2.gz GCVWYVACKOQQII-LBPRGKRZSA-N 1 1 194.322 1.507 10 30 ADEEMO C#C[C@@H](C)[N@H+](C)CC(C)C 307463014 572537082 /nfs/dbraw/zinc/53/70/82/572537082.db2.gz GKECUJDEHMHWDF-SECBINFHSA-N 1 1 139.242 1.596 10 30 ADEEMO C=C1CN(C2CC2)C[C@H]2CCCC[N@@H+]12 307527597 572544880 /nfs/dbraw/zinc/54/48/80/572544880.db2.gz JNWHOEUJAGYTOV-GFCCVEGCSA-N 1 1 192.306 1.833 10 30 ADEEMO C[C@@H](CC#N)[N@H+](C)[C@@H]1CCCC(=O)C1 86601262 573514040 /nfs/dbraw/zinc/51/40/40/573514040.db2.gz ITAOEBRGYNZRJO-VHSXEESVSA-N 1 1 194.278 1.732 10 30 ADEEMO C[C@@H](CC#N)[N@@H+](C)[C@@H]1CCCC(=O)C1 86601262 573514045 /nfs/dbraw/zinc/51/40/45/573514045.db2.gz ITAOEBRGYNZRJO-VHSXEESVSA-N 1 1 194.278 1.732 10 30 ADEEMO C=CC[C@H]([NH2+]CCC)c1cnn[nH]1 87601155 572596884 /nfs/dbraw/zinc/59/68/84/572596884.db2.gz IQKBRROQNXEJMV-QMMMGPOBSA-N 1 1 180.255 1.422 10 30 ADEEMO C#CC[N@H+](C)[C@H]1CC1(C)C 307541826 572615642 /nfs/dbraw/zinc/61/56/42/572615642.db2.gz SINVXRMRACPASA-QMMMGPOBSA-N 1 1 137.226 1.350 10 30 ADEEMO C=C[C@@H](CO)[NH2+]C[C@H](C#N)C(C)(C)C 717463641 573519037 /nfs/dbraw/zinc/51/90/37/573519037.db2.gz IJSPCKVCIAHKOM-UWVGGRQHSA-N 1 1 196.294 1.309 10 30 ADEEMO C=C(C)C[N@@H+]1CC[C@@H](O)C[C@@H]1C 306455014 572663317 /nfs/dbraw/zinc/66/33/17/572663317.db2.gz ZZCHUAPBTCXDSF-VHSXEESVSA-N 1 1 169.268 1.408 10 30 ADEEMO C#CCC[N@@H+]1CCCC[C@H]1C=O 54238015 572663418 /nfs/dbraw/zinc/66/34/18/572663418.db2.gz AWYCTCMCNLZSLR-JTQLQIEISA-N 1 1 165.236 1.063 10 30 ADEEMO C#CCC[N@H+](C)C1CCC(O)CC1 307605805 572676806 /nfs/dbraw/zinc/67/68/06/572676806.db2.gz ZIQRAGLMLWOSOM-UHFFFAOYSA-N 1 1 181.279 1.245 10 30 ADEEMO C=C(CC)C[N@@H+]1CC[C@@H](N)[C@H]1C 306531696 572678105 /nfs/dbraw/zinc/67/81/05/572678105.db2.gz IHSAQNFHNXKQIR-NXEZZACHSA-N 1 1 168.284 1.374 10 30 ADEEMO C=C(CC)C[N@H+]1CC[C@@H](N)[C@H]1C 306531696 572678108 /nfs/dbraw/zinc/67/81/08/572678108.db2.gz IHSAQNFHNXKQIR-NXEZZACHSA-N 1 1 168.284 1.374 10 30 ADEEMO C=CC[N@H+]1CCC[C@H]2COC[C@H]21 306545837 572678137 /nfs/dbraw/zinc/67/81/37/572678137.db2.gz DRDRMKXVNIUWLO-VHSXEESVSA-N 1 1 167.252 1.283 10 30 ADEEMO C#CC[N@H+](CC)C[C@@H](C)C[NH2+]CC 130408551 573531361 /nfs/dbraw/zinc/53/13/61/573531361.db2.gz UJTUKERWLSTXRA-NSHDSACASA-N 1 1 182.311 1.187 10 30 ADEEMO C#CCN(CC)C[C@@H](C)C[NH2+]CC 130408551 573531366 /nfs/dbraw/zinc/53/13/66/573531366.db2.gz UJTUKERWLSTXRA-NSHDSACASA-N 1 1 182.311 1.187 10 30 ADEEMO CC[N@H+]1CCCC[C@H]1CC#N 211889115 573531385 /nfs/dbraw/zinc/53/13/85/573531385.db2.gz QCNJTVRNEQEWRS-VIFPVBQESA-N 1 1 152.241 1.774 10 30 ADEEMO C=C(C)[C@@H]1C[N@H+]2CCC[C@H]2[C@@H]1O 307673939 572680709 /nfs/dbraw/zinc/68/07/09/572680709.db2.gz ALVSEOCOLQEWER-LPEHRKFASA-N 1 1 167.252 1.018 10 30 ADEEMO SCc1[nH+]cc2ccccn12 259490622 573531696 /nfs/dbraw/zinc/53/16/96/573531696.db2.gz NFEPDQRWHPNXEN-UHFFFAOYSA-N 1 1 164.233 1.764 10 30 ADEEMO C=CCC[C@H](C)[N@H+]1CCC[C@@H](N)C1 238420184 572700445 /nfs/dbraw/zinc/70/04/45/572700445.db2.gz YRRLQZGRHZYEOW-WDEREUQCSA-N 1 1 182.311 1.764 10 30 ADEEMO C=CCC[C@H](C)N1CCC[C@@H]([NH3+])C1 238420184 572700449 /nfs/dbraw/zinc/70/04/49/572700449.db2.gz YRRLQZGRHZYEOW-WDEREUQCSA-N 1 1 182.311 1.764 10 30 ADEEMO C[N@H+]1CC[C@@H]2C[C@@H](C#N)C[C@@H]21 259613761 573536165 /nfs/dbraw/zinc/53/61/65/573536165.db2.gz MZPPESBDAILQKS-HLTSFMKQSA-N 1 1 150.225 1.240 10 30 ADEEMO C=C(C)C(=O)[C@H]1C[N@H+](C(C)C)CCO1 86654929 573536639 /nfs/dbraw/zinc/53/66/39/573536639.db2.gz BTDKFQQUDNJOJW-SNVBAGLBSA-N 1 1 197.278 1.241 10 30 ADEEMO C=C(C)C(=O)[C@H]1C[N@@H+](C(C)C)CCO1 86654929 573536644 /nfs/dbraw/zinc/53/66/44/573536644.db2.gz BTDKFQQUDNJOJW-SNVBAGLBSA-N 1 1 197.278 1.241 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCN(C)C[C@@H]1C 306751032 572757932 /nfs/dbraw/zinc/75/79/32/572757932.db2.gz HDNPZMABPHJNRA-ZJUUUORDSA-N 1 1 168.284 1.197 10 30 ADEEMO C=C[C@@H](C)N1CC[N@H+](C)C[C@@H]1C 306751032 572757934 /nfs/dbraw/zinc/75/79/34/572757934.db2.gz HDNPZMABPHJNRA-ZJUUUORDSA-N 1 1 168.284 1.197 10 30 ADEEMO C=C[C@@H](C)N1CC[N@@H+](C)C[C@@H]1C 306751032 572757936 /nfs/dbraw/zinc/75/79/36/572757936.db2.gz HDNPZMABPHJNRA-ZJUUUORDSA-N 1 1 168.284 1.197 10 30 ADEEMO C#C[C@@H](C)[N@H+](C)[C@H](C)CC 306706565 572760239 /nfs/dbraw/zinc/76/02/39/572760239.db2.gz IZKRLDAGDNHIFV-RKDXNWHRSA-N 1 1 139.242 1.738 10 30 ADEEMO CO[C@@H]1CC[N@@H+](CCCS)C1 234827854 572761305 /nfs/dbraw/zinc/76/13/05/572761305.db2.gz AHLJBJZXMIQOGL-MRVPVSSYSA-N 1 1 175.297 1.027 10 30 ADEEMO [NH3+][C@H](S)c1ccc(F)cc1F 259508306 573557091 /nfs/dbraw/zinc/55/70/91/573557091.db2.gz RJPCBGRSAZBQQP-SSDOTTSWSA-N 1 1 175.203 1.852 10 30 ADEEMO C#C[C@H](COC)[NH2+]Cc1ccc(C)o1 308620660 573557207 /nfs/dbraw/zinc/55/72/07/573557207.db2.gz SXDUUBNMPMODHU-SNVBAGLBSA-N 1 1 193.246 1.326 10 30 ADEEMO C=CCC[N@H+](C)[C@@H]1CC[C@@H]1C[NH3+] 307928006 572776968 /nfs/dbraw/zinc/77/69/68/572776968.db2.gz ABBVSWFMTBJTKU-NXEZZACHSA-N 1 1 168.284 1.232 10 30 ADEEMO C[C@H](O)CC[N@@H+](C)C/C=C\CS 307925633 572777044 /nfs/dbraw/zinc/77/70/44/572777044.db2.gz FJMPPJFAYGPPSG-TYRPZCRBSA-N 1 1 189.324 1.175 10 30 ADEEMO C#CC[N@H+](C(C)C)[C@@H]1CCOC1 307751776 572777793 /nfs/dbraw/zinc/77/77/93/572777793.db2.gz PFZQGVYFIZZJHP-SNVBAGLBSA-N 1 1 167.252 1.119 10 30 ADEEMO NN=C1CC[N@H+](Cc2ccccc2)C1 319766506 572777805 /nfs/dbraw/zinc/77/78/05/572777805.db2.gz QPSFKNGWWOJRMQ-UHFFFAOYSA-N 1 1 189.262 1.207 10 30 ADEEMO NN=C1CC[N@@H+](Cc2ccccc2)C1 319766506 572777810 /nfs/dbraw/zinc/77/78/10/572777810.db2.gz QPSFKNGWWOJRMQ-UHFFFAOYSA-N 1 1 189.262 1.207 10 30 ADEEMO C[N@H+]1CC[C@H](CCC#N)C1 107396269 573559566 /nfs/dbraw/zinc/55/95/66/573559566.db2.gz MUYIURYMTDCOIC-QMMMGPOBSA-N 1 1 138.214 1.242 10 30 ADEEMO C[N@H+]1CCC[C@H]1Cn1cccc1C#N 306651211 573559643 /nfs/dbraw/zinc/55/96/43/573559643.db2.gz FTGUURQABWLARY-NSHDSACASA-N 1 1 189.262 1.454 10 30 ADEEMO C=C[C@H](C)N1CCC[N@H+](CC)CC1 307756205 572785406 /nfs/dbraw/zinc/78/54/06/572785406.db2.gz HCYFVEQPRAVKGI-NSHDSACASA-N 1 1 182.311 1.589 10 30 ADEEMO C#CC[NH2+]Cc1cccc(C#N)c1F 221908632 572787172 /nfs/dbraw/zinc/78/71/72/572787172.db2.gz NAMRWMQXULTRLL-UHFFFAOYSA-N 1 1 188.205 1.420 10 30 ADEEMO C=CCN[C@@H]1C[N@H+](C(C)C)C[C@@H]1CC 308621987 573561103 /nfs/dbraw/zinc/56/11/03/573561103.db2.gz UIUUFNOTNLPCSL-NWDGAFQWSA-N 1 1 196.338 1.881 10 30 ADEEMO C=CCN[C@@H]1C[N@@H+](C(C)C)C[C@@H]1CC 308621987 573561107 /nfs/dbraw/zinc/56/11/07/573561107.db2.gz UIUUFNOTNLPCSL-NWDGAFQWSA-N 1 1 196.338 1.881 10 30 ADEEMO C[N@H+]1CCCC[C@H](CC=O)C1 107399082 573561171 /nfs/dbraw/zinc/56/11/71/573561171.db2.gz CUQPXKVPJWWAJC-SECBINFHSA-N 1 1 155.241 1.307 10 30 ADEEMO C[N@H+]1CCC[C@H](CCC=O)C1 107399066 573561197 /nfs/dbraw/zinc/56/11/97/573561197.db2.gz FMKLCTUJKIGDBJ-SECBINFHSA-N 1 1 155.241 1.307 10 30 ADEEMO C=C[C@@H](C)[N@H+]1C[C@@H](O)C2(CC2)C1 307753871 572795330 /nfs/dbraw/zinc/79/53/30/572795330.db2.gz XMLDMZNVKAPHON-RKDXNWHRSA-N 1 1 167.252 1.018 10 30 ADEEMO C#CCC[C@@H]([NH3+])C(CC)(CC)N(C)C 85750720 572795369 /nfs/dbraw/zinc/79/53/69/572795369.db2.gz BHIAJOXHBAHHDG-LLVKDONJSA-N 1 1 196.338 1.848 10 30 ADEEMO C[C@@H](C=O)[C@H]1CCC[N@@H+](C)C1 107399113 573561273 /nfs/dbraw/zinc/56/12/73/573561273.db2.gz FZAHIIFQXOBTHH-IUCAKERBSA-N 1 1 155.241 1.163 10 30 ADEEMO C[C@H](C=O)[C@H]1CCC[N@@H+](C)C1 107399116 573561362 /nfs/dbraw/zinc/56/13/62/573561362.db2.gz FZAHIIFQXOBTHH-BDAKNGLRSA-N 1 1 155.241 1.163 10 30 ADEEMO C=CCO[C@H]1CC[N@H+](CC(C)C)C1 308135019 572817719 /nfs/dbraw/zinc/81/77/19/572817719.db2.gz DRSXRZIBBNJJIO-NSHDSACASA-N 1 1 183.295 1.919 10 30 ADEEMO C#C[C@@](C)(CC)[N@@H+]1CCNC(C)(C)C1 306979314 572839777 /nfs/dbraw/zinc/83/97/77/572839777.db2.gz DKRFKARPFODNRV-LBPRGKRZSA-N 1 1 194.322 1.472 10 30 ADEEMO C#C[C@@](C)(CC)[N@H+]1CCNC(C)(C)C1 306979314 572839780 /nfs/dbraw/zinc/83/97/80/572839780.db2.gz DKRFKARPFODNRV-LBPRGKRZSA-N 1 1 194.322 1.472 10 30 ADEEMO C=C[C@H](C)[N@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 306971447 572839796 /nfs/dbraw/zinc/83/97/96/572839796.db2.gz SJPQNCGUJGUFCT-FIQHERPVSA-N 1 1 195.306 1.654 10 30 ADEEMO CC#CC[NH2+][C@](C)(CN)[C@H](C)CC 308141695 572827874 /nfs/dbraw/zinc/82/78/74/572827874.db2.gz LNNMRONDSNGNMP-GHMZBOCLSA-N 1 1 182.311 1.363 10 30 ADEEMO CC#CCN[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C 306924611 572827948 /nfs/dbraw/zinc/82/79/48/572827948.db2.gz JXRVJFTZQCGVLC-CMPLNLGQSA-N 1 1 192.306 1.082 10 30 ADEEMO CC#CCN[C@@H]1C[N@H+](C2CC2)C[C@@H]1C 306924611 572827952 /nfs/dbraw/zinc/82/79/52/572827952.db2.gz JXRVJFTZQCGVLC-CMPLNLGQSA-N 1 1 192.306 1.082 10 30 ADEEMO C=C[C@H](C)[N@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 306971446 572827977 /nfs/dbraw/zinc/82/79/77/572827977.db2.gz SJPQNCGUJGUFCT-BJDJZHNGSA-N 1 1 195.306 1.654 10 30 ADEEMO C=C1CN(CC)C[C@@H]2CCC[N@@H+]12 306912009 572828776 /nfs/dbraw/zinc/82/87/76/572828776.db2.gz LZBACDRMQODJGX-JTQLQIEISA-N 1 1 166.268 1.300 10 30 ADEEMO C=C(CC)C[N@H+]1CCC2(C1)OCCO2 306952212 572838260 /nfs/dbraw/zinc/83/82/60/572838260.db2.gz DZAROLYWOOUTTD-UHFFFAOYSA-N 1 1 197.278 1.401 10 30 ADEEMO C=CCN[C@@H]1C[N@H+](C(C)C)C[C@H]1CC 308621989 573562822 /nfs/dbraw/zinc/56/28/22/573562822.db2.gz UIUUFNOTNLPCSL-VXGBXAGGSA-N 1 1 196.338 1.881 10 30 ADEEMO C=CCN[C@@H]1C[N@@H+](C(C)C)C[C@H]1CC 308621989 573562827 /nfs/dbraw/zinc/56/28/27/573562827.db2.gz UIUUFNOTNLPCSL-VXGBXAGGSA-N 1 1 196.338 1.881 10 30 ADEEMO C#CC[N@H+]1CC[C@@H]2OCCC[C@H]2C1 306934128 572843874 /nfs/dbraw/zinc/84/38/74/572843874.db2.gz DXQJAQRWRDBQGV-QWRGUYRKSA-N 1 1 179.263 1.121 10 30 ADEEMO C=C[C@@H](C)C[N@@H+](C)[C@H]1CCOC1 307954513 572843889 /nfs/dbraw/zinc/84/38/89/572843889.db2.gz QJCNHPIUUSNGEJ-ZJUUUORDSA-N 1 1 169.268 1.529 10 30 ADEEMO CC[N@H+]1CC[C@@H](n2nccc2C#N)C1 257831197 573562933 /nfs/dbraw/zinc/56/29/33/573562933.db2.gz JGUQJDREUKUHCN-SNVBAGLBSA-N 1 1 190.250 1.021 10 30 ADEEMO C=C[C@H](C)C[N@@H+](C)[C@@H]1CCOC1 307954512 572844354 /nfs/dbraw/zinc/84/43/54/572844354.db2.gz QJCNHPIUUSNGEJ-VHSXEESVSA-N 1 1 169.268 1.529 10 30 ADEEMO C=CC[N@@H+](C)C/C=C/Cl 306933534 572844455 /nfs/dbraw/zinc/84/44/55/572844455.db2.gz DLHMKKBZVXQMMS-SNAWJCMRSA-N 1 1 145.633 1.857 10 30 ADEEMO C[N@H+]1CCCC[C@H](CC#N)C1 107398299 573562976 /nfs/dbraw/zinc/56/29/76/573562976.db2.gz RZIUXVRKQOCJQI-SECBINFHSA-N 1 1 152.241 1.632 10 30 ADEEMO C=C[C@@H](C)C[N@@H+](C)[C@@H]1CCOC1 307954510 572844636 /nfs/dbraw/zinc/84/46/36/572844636.db2.gz QJCNHPIUUSNGEJ-NXEZZACHSA-N 1 1 169.268 1.529 10 30 ADEEMO C[C@@H]1C[C@@H](CC=O)CC[N@H+]1C 107399099 573563662 /nfs/dbraw/zinc/56/36/62/573563662.db2.gz WSZHTQAPROWQLL-RKDXNWHRSA-N 1 1 155.241 1.306 10 30 ADEEMO C[N@H+](CCC#N)CCCC(F)F 688713033 572892146 /nfs/dbraw/zinc/89/21/46/572892146.db2.gz IWBQMWDUYFKDPG-UHFFFAOYSA-N 1 1 176.210 1.877 10 30 ADEEMO C#C[C@H](C)[NH2+]C(C)(C)CN1CCCC1 308633302 573568210 /nfs/dbraw/zinc/56/82/10/573568210.db2.gz JOUCLGBLYALLMS-NSHDSACASA-N 1 1 194.322 1.472 10 30 ADEEMO CCON=C1C[N@@H+](CC)C[C@H]1C 308168441 572889865 /nfs/dbraw/zinc/88/98/65/572889865.db2.gz VOCMBIKEQFDAAS-MRVPVSSYSA-N 1 1 170.256 1.351 10 30 ADEEMO C=CC[N@H+](CCO)[C@@H](C)C(C)C 307970123 572889876 /nfs/dbraw/zinc/88/98/76/572889876.db2.gz WLDDABNOGKSAPT-JTQLQIEISA-N 1 1 171.284 1.511 10 30 ADEEMO C#C[C@@](C)(CC)[N@@H+]1CCC(=O)[C@H](C)C1 307040474 572890011 /nfs/dbraw/zinc/89/00/11/572890011.db2.gz JHDDWTDIXJAFAQ-PWSUYJOCSA-N 1 1 193.290 1.699 10 30 ADEEMO C#C[C@@](C)(CC)[N@H+]1CCC(=O)[C@H](C)C1 307040474 572890015 /nfs/dbraw/zinc/89/00/15/572890015.db2.gz JHDDWTDIXJAFAQ-PWSUYJOCSA-N 1 1 193.290 1.699 10 30 ADEEMO C#CC[N@@H+]1CCCCC[C@H]1CCO 307083263 572890048 /nfs/dbraw/zinc/89/00/48/572890048.db2.gz KJJKHRRAIXNXBM-NSHDSACASA-N 1 1 181.279 1.247 10 30 ADEEMO C=CC[N@H+](CC)C[C@H](C)COC 307969458 572890062 /nfs/dbraw/zinc/89/00/62/572890062.db2.gz FVYNZBHSMCUVAH-JTQLQIEISA-N 1 1 171.284 1.777 10 30 ADEEMO C=CC[N@H+](CC)C[C@@H](C)COC 307969459 572890074 /nfs/dbraw/zinc/89/00/74/572890074.db2.gz FVYNZBHSMCUVAH-SNVBAGLBSA-N 1 1 171.284 1.777 10 30 ADEEMO C=C(C[N@@H+](C)[C@H](C)C1CC1)OC 308172456 572892106 /nfs/dbraw/zinc/89/21/06/572892106.db2.gz XIFJWSGWEVNCBF-SECBINFHSA-N 1 1 169.268 1.877 10 30 ADEEMO C#CCN(CC)C[C@H]1CCCC[C@@H]1[NH3+] 130382403 573569652 /nfs/dbraw/zinc/56/96/52/573569652.db2.gz HTUOIIYVWYNIFT-NEPJUHHUSA-N 1 1 194.322 1.459 10 30 ADEEMO CC(C)C[N@H+]1CC[C@H](C#N)[C@@H]1C 259112673 573569659 /nfs/dbraw/zinc/56/96/59/573569659.db2.gz BMCXPPWASRELFC-VHSXEESVSA-N 1 1 166.268 1.876 10 30 ADEEMO COc1ccc([C@H]([NH3+])C=O)c(Cl)c1 259112691 573569734 /nfs/dbraw/zinc/56/97/34/573569734.db2.gz BMXISISICCEOGJ-SECBINFHSA-N 1 1 199.637 1.547 10 30 ADEEMO CC[N@@H+](CC(C)(C)O)[C@@H](C)CC#N 86273715 572903668 /nfs/dbraw/zinc/90/36/68/572903668.db2.gz XQRFSEAPGGJERN-VIFPVBQESA-N 1 1 184.283 1.381 10 30 ADEEMO CC[C@@H](CC#N)[NH+]1CC2(CC2)C1 86681464 573569764 /nfs/dbraw/zinc/56/97/64/573569764.db2.gz YBSNMEWMEHTCHQ-VIFPVBQESA-N 1 1 164.252 1.774 10 30 ADEEMO Cc1cc(CN/C(N)=[NH+]/O)sc1C 83633903 573573139 /nfs/dbraw/zinc/57/31/39/573573139.db2.gz CFCQBDZUFSGIJU-UHFFFAOYSA-N 1 1 199.279 1.158 10 30 ADEEMO COC1=CC(=O)C(C)=CC1=[NH2+] 238444043 573573268 /nfs/dbraw/zinc/57/32/68/573573268.db2.gz MZJFRLKUUKVSOQ-UHFFFAOYSA-N 1 1 151.165 1.065 10 30 ADEEMO Cc1c[nH]cc1[C@H]([NH3+])CC#N 238444621 573574871 /nfs/dbraw/zinc/57/48/71/573574871.db2.gz GCMMTJWSGWRUHL-MRVPVSSYSA-N 1 1 149.197 1.237 10 30 ADEEMO C[N@@H+](CC[C@@H]1CO1)CC1CCCC1 308203713 572931070 /nfs/dbraw/zinc/93/10/70/572931070.db2.gz RNZXAULCEMNMPZ-LLVKDONJSA-N 1 1 183.295 1.897 10 30 ADEEMO C#CCCCC[NH2+]CC(C)(C)NC 308197132 572940194 /nfs/dbraw/zinc/94/01/94/572940194.db2.gz NHWPVQLJXNYXGK-UHFFFAOYSA-N 1 1 182.311 1.378 10 30 ADEEMO C[C@@H]1C[C@H](CCC=O)CC[N@H+]1C 107405032 573576769 /nfs/dbraw/zinc/57/67/69/573576769.db2.gz IXXFFPSGQLWPNS-NXEZZACHSA-N 1 1 169.268 1.696 10 30 ADEEMO C[C@@H]1C[C@@H](CCC=O)CC[N@H+]1C 107405037 573576800 /nfs/dbraw/zinc/57/68/00/573576800.db2.gz IXXFFPSGQLWPNS-ZJUUUORDSA-N 1 1 169.268 1.696 10 30 ADEEMO C=CCC[N@H+](C)[C@@H](C)C(=O)NCC 308215311 572949702 /nfs/dbraw/zinc/94/97/02/572949702.db2.gz JANUEHXMQHFWOQ-VIFPVBQESA-N 1 1 184.283 1.019 10 30 ADEEMO C=C(CC(=O)OC)[C@H]1CC[N@@H+](C)C1 258066022 573583602 /nfs/dbraw/zinc/58/36/02/573583602.db2.gz FBDTXGWTQCIBBO-VIFPVBQESA-N 1 1 183.251 1.057 10 30 ADEEMO C#CCN(CCC)CC[C@H](C)[NH3+] 130450540 573585545 /nfs/dbraw/zinc/58/55/45/573585545.db2.gz OWYYPFHBCICEHQ-JTQLQIEISA-N 1 1 168.284 1.069 10 30 ADEEMO CCN[C@]1(C#N)CC[C@@H]([N@@H+](C)CC)C1 86622738 572968057 /nfs/dbraw/zinc/96/80/57/572968057.db2.gz LPPIWDRXVODFQL-GHMZBOCLSA-N 1 1 195.310 1.362 10 30 ADEEMO CCN[C@]1(C#N)CC[C@H]([N@@H+](C)CC)C1 86622734 572968085 /nfs/dbraw/zinc/96/80/85/572968085.db2.gz LPPIWDRXVODFQL-WDEREUQCSA-N 1 1 195.310 1.362 10 30 ADEEMO CCN[C@@]1(C#N)CC[C@H]([N@@H+](C)CC)C1 86622736 572968439 /nfs/dbraw/zinc/96/84/39/572968439.db2.gz LPPIWDRXVODFQL-QWRGUYRKSA-N 1 1 195.310 1.362 10 30 ADEEMO C=C(C)C[C@H]([NH3+])C(=O)OC(C)C 238177534 572968532 /nfs/dbraw/zinc/96/85/32/572968532.db2.gz PIAQNRFRCAGNPS-QMMMGPOBSA-N 1 1 171.240 1.232 10 30 ADEEMO C=CCCCCC[C@H]([NH3+])c1cn[nH]n1 236302451 572977028 /nfs/dbraw/zinc/97/70/28/572977028.db2.gz MGCCDMDBCVSCBX-VIFPVBQESA-N 1 1 194.282 1.941 10 30 ADEEMO CC(C)O[C@@]1(C=O)CCC[N@@H+](C)CC1 258212881 572999946 /nfs/dbraw/zinc/99/99/46/572999946.db2.gz XVEOWSMELXJDTD-NSHDSACASA-N 1 1 199.294 1.465 10 30 ADEEMO C=C(CO)C[C@@H]1CCCC[N@@H+]1CC 258212504 573000111 /nfs/dbraw/zinc/00/01/11/573000111.db2.gz OEHBORSDDIMWEU-NSHDSACASA-N 1 1 183.295 1.799 10 30 ADEEMO C=C[C@@H](C)C[N@@H+](C)CCCCCO 308219572 573000146 /nfs/dbraw/zinc/00/01/46/573000146.db2.gz BPBQTUYXOIJWBX-LLVKDONJSA-N 1 1 185.311 1.903 10 30 ADEEMO CC(C)[N@H+]1CCC[C@@H](CC#CC=O)C1 258220198 573010213 /nfs/dbraw/zinc/01/02/13/573010213.db2.gz OTLACABPTXIGNN-GFCCVEGCSA-N 1 1 193.290 1.699 10 30 ADEEMO C=CC[C@@H]([NH3+])c1nnc(C(=C)C)o1 308232300 573014103 /nfs/dbraw/zinc/01/41/03/573014103.db2.gz UAMHXNBSSMJQQP-SSDOTTSWSA-N 1 1 179.223 1.679 10 30 ADEEMO C=C[C@@H](C)C[N@@H+](C)Cc1ccno1 308222512 573014558 /nfs/dbraw/zinc/01/45/58/573014558.db2.gz CSRNZGQREXLJKM-SECBINFHSA-N 1 1 180.251 1.929 10 30 ADEEMO CCC[C@@]([NH3+])(C#N)C1CC1 104570973 573019928 /nfs/dbraw/zinc/01/99/28/573019928.db2.gz LAZDWTZKUYBDSM-MRVPVSSYSA-N 1 1 138.214 1.418 10 30 ADEEMO CO[C@]1(C)CC[N@@H+](CCCCC#N)C1 308478851 573024976 /nfs/dbraw/zinc/02/49/76/573024976.db2.gz KOVDKSNUBIOMPI-LLVKDONJSA-N 1 1 196.294 1.791 10 30 ADEEMO N#C[C@@H]1C[NH2+]Cc2c1ccc1[nH]ccc21 259595925 573020237 /nfs/dbraw/zinc/02/02/37/573020237.db2.gz FUYXVUPASWPMPI-MRVPVSSYSA-N 1 1 197.241 1.878 10 30 ADEEMO N#CC[C@H]([NH3+])c1ccccc1N 104573681 573023608 /nfs/dbraw/zinc/02/36/08/573023608.db2.gz RVQFJKHEIIQPQY-VIFPVBQESA-N 1 1 161.208 1.182 10 30 ADEEMO N#CC[C@@H]([NH3+])c1cccc(CO)c1 104574350 573023664 /nfs/dbraw/zinc/02/36/64/573023664.db2.gz NXBVZZRSFQGIPZ-SNVBAGLBSA-N 1 1 176.219 1.092 10 30 ADEEMO COCCC[N@H+]1CC[C@H](C#N)[C@H]1C 259313103 573023692 /nfs/dbraw/zinc/02/36/92/573023692.db2.gz QIQFGVDMQIJIOU-NXEZZACHSA-N 1 1 182.267 1.257 10 30 ADEEMO COCCC[N@H+]1CC[C@H](C#N)[C@@H]1C 259313109 573024619 /nfs/dbraw/zinc/02/46/19/573024619.db2.gz QIQFGVDMQIJIOU-VHSXEESVSA-N 1 1 182.267 1.257 10 30 ADEEMO CO[C@@]1(C)CC[N@@H+](CCCCC#N)C1 308478854 573027647 /nfs/dbraw/zinc/02/76/47/573027647.db2.gz KOVDKSNUBIOMPI-NSHDSACASA-N 1 1 196.294 1.791 10 30 ADEEMO CC[C@H]1C[N@@H+](CCC[C@@H]2CO2)CCO1 308478233 573025047 /nfs/dbraw/zinc/02/50/47/573025047.db2.gz KGSLKKHANMPRRY-WDEREUQCSA-N 1 1 199.294 1.276 10 30 ADEEMO COCCC[N@H+]1CC[C@@H](C#N)[C@@H]1C 259313107 573025092 /nfs/dbraw/zinc/02/50/92/573025092.db2.gz QIQFGVDMQIJIOU-UWVGGRQHSA-N 1 1 182.267 1.257 10 30 ADEEMO C=C(C)CN[C@]1(C[NH3+])CCC1(C)C 308227680 573027314 /nfs/dbraw/zinc/02/73/14/573027314.db2.gz RKAMIKWSHRTGCX-NSHDSACASA-N 1 1 182.311 1.670 10 30 ADEEMO COC(C)(C)CC[C@@]1(C#N)CCC[NH2+]1 308477051 573027619 /nfs/dbraw/zinc/02/76/19/573027619.db2.gz FCGGFDREAJGMGR-LLVKDONJSA-N 1 1 196.294 1.837 10 30 ADEEMO CC[C@@H]1C[N@@H+](CCC[C@@H]2CO2)CCO1 308478230 573028650 /nfs/dbraw/zinc/02/86/50/573028650.db2.gz KGSLKKHANMPRRY-GHMZBOCLSA-N 1 1 199.294 1.276 10 30 ADEEMO C[C@H]1C[C@H](C#N)CC[N@H+]1C 82410621 573028697 /nfs/dbraw/zinc/02/86/97/573028697.db2.gz FHEQFQXPQRAWAR-JGVFFNPUSA-N 1 1 138.214 1.240 10 30 ADEEMO Cc1ccc([C@H]([NH3+])CC#N)c(N)c1 104580169 573028739 /nfs/dbraw/zinc/02/87/39/573028739.db2.gz JOBXJJGLWKXBDZ-SECBINFHSA-N 1 1 175.235 1.491 10 30 ADEEMO N#CC[C@@H]([NH3+])c1cccc(N)c1 104579035 573028750 /nfs/dbraw/zinc/02/87/50/573028750.db2.gz GKKNPGRGYATMRN-SECBINFHSA-N 1 1 161.208 1.182 10 30 ADEEMO C[C@H]1C[C@@H](C#N)CC[N@H+]1C 82410623 573028849 /nfs/dbraw/zinc/02/88/49/573028849.db2.gz FHEQFQXPQRAWAR-YUMQZZPRSA-N 1 1 138.214 1.240 10 30 ADEEMO Cc1ccc([C@@H]([NH3+])CC#N)c(N)c1 104580172 573029040 /nfs/dbraw/zinc/02/90/40/573029040.db2.gz JOBXJJGLWKXBDZ-VIFPVBQESA-N 1 1 175.235 1.491 10 30 ADEEMO C=CCN(C)C[C@H](C)[N@@H+](C)CC=C 308229961 573030172 /nfs/dbraw/zinc/03/01/72/573030172.db2.gz GDVGVTMOPNUMLY-NSHDSACASA-N 1 1 182.311 1.611 10 30 ADEEMO C=CCN(C)[C@@H](C)C[N@H+](C)CC=C 308229961 573030175 /nfs/dbraw/zinc/03/01/75/573030175.db2.gz GDVGVTMOPNUMLY-NSHDSACASA-N 1 1 182.311 1.611 10 30 ADEEMO C=CCN(C)[C@@H](C)C[N@@H+](C)CC=C 308229961 573030178 /nfs/dbraw/zinc/03/01/78/573030178.db2.gz GDVGVTMOPNUMLY-NSHDSACASA-N 1 1 182.311 1.611 10 30 ADEEMO N#CC[C@@H]([NH3+])c1ccccc1CO 104578722 573030339 /nfs/dbraw/zinc/03/03/39/573030339.db2.gz VCERDCZEUHFYHT-SNVBAGLBSA-N 1 1 176.219 1.092 10 30 ADEEMO CC1(C)CCC[N@H+](C[C@@H](N)C#N)CC1 83681048 573592076 /nfs/dbraw/zinc/59/20/76/573592076.db2.gz ROBPTNFVNNFXQJ-JTQLQIEISA-N 1 1 195.310 1.349 10 30 ADEEMO CC1(C)CCC[N@@H+](C[C@@H](N)C#N)CC1 83681048 573592081 /nfs/dbraw/zinc/59/20/81/573592081.db2.gz ROBPTNFVNNFXQJ-JTQLQIEISA-N 1 1 195.310 1.349 10 30 ADEEMO C=CC[N@H+](CC)CCC(=O)OCC 308249206 573051802 /nfs/dbraw/zinc/05/18/02/573051802.db2.gz AQVXMERLQNAXSW-UHFFFAOYSA-N 1 1 185.267 1.448 10 30 ADEEMO C[N@@H+](CCS)Cc1ccc[nH]1 258808603 573593887 /nfs/dbraw/zinc/59/38/87/573593887.db2.gz FAFVCRJLJKDQBN-UHFFFAOYSA-N 1 1 170.281 1.376 10 30 ADEEMO C[C@@H]1CCC[N@@H+](CCC[C@@H]2CO2)C1 308249025 573051309 /nfs/dbraw/zinc/05/13/09/573051309.db2.gz DJPCLXMYAWQALO-GHMZBOCLSA-N 1 1 183.295 1.897 10 30 ADEEMO CC(C)[N@@H+](C)C[C@@H](O)CC(C)(C)C#N 308487478 573058340 /nfs/dbraw/zinc/05/83/40/573058340.db2.gz OCXQODQTPSKJOH-JTQLQIEISA-N 1 1 198.310 1.627 10 30 ADEEMO CC[C@H](CC#N)N1CC[N@@H+](C)[C@H](C)C1 82478099 573062987 /nfs/dbraw/zinc/06/29/87/573062987.db2.gz HPNBMXDTOVSPJN-GHMZBOCLSA-N 1 1 195.310 1.315 10 30 ADEEMO CC[C@@H]1CC[C@H](C=O)[N@H+]2CCC[C@@H]12 238265512 573063146 /nfs/dbraw/zinc/06/31/46/573063146.db2.gz PDTHOFJGXFBIEV-MXWKQRLJSA-N 1 1 181.279 1.838 10 30 ADEEMO CC[C@@H](C#N)N1CC[N@@H+](C)[C@H](CC)C1 82478116 573063161 /nfs/dbraw/zinc/06/31/61/573063161.db2.gz LYUFFFQVSCQPGT-WDEREUQCSA-N 1 1 195.310 1.315 10 30 ADEEMO CC[C@@H]1CC[C@@H](C=O)[N@H+]2CCC[C@@H]12 238264268 573063341 /nfs/dbraw/zinc/06/33/41/573063341.db2.gz PDTHOFJGXFBIEV-VWYCJHECSA-N 1 1 181.279 1.838 10 30 ADEEMO C[C@H]1CCC[N@@H+](C[C@](C)(N)C#N)CC1 82490014 573081213 /nfs/dbraw/zinc/08/12/13/573081213.db2.gz KHRPOCYRBQSVEK-WDEREUQCSA-N 1 1 195.310 1.349 10 30 ADEEMO C#CC[N@@H+](CCC#N)CC(C)C 49800838 573088205 /nfs/dbraw/zinc/08/82/05/573088205.db2.gz DRFWPAIDGLARQB-UHFFFAOYSA-N 1 1 164.252 1.491 10 30 ADEEMO C#CC[N@H+](CCC#N)CC(C)C 49800838 573088208 /nfs/dbraw/zinc/08/82/08/573088208.db2.gz DRFWPAIDGLARQB-UHFFFAOYSA-N 1 1 164.252 1.491 10 30 ADEEMO C[N@H+](CC=O)CCc1ccccc1 114589546 573090196 /nfs/dbraw/zinc/09/01/96/573090196.db2.gz BFPMABKRRDNEQN-UHFFFAOYSA-N 1 1 177.247 1.360 10 30 ADEEMO CC#CCCCC[N@@H+](C)[C@@H](C)CO 308259645 573090988 /nfs/dbraw/zinc/09/09/88/573090988.db2.gz LTATYFSJGZRNFU-NSHDSACASA-N 1 1 183.295 1.493 10 30 ADEEMO C[C@H]1C[C@@H](C#N)[NH2+]C1(C)C 104625221 573091078 /nfs/dbraw/zinc/09/10/78/573091078.db2.gz KWVUMNQLQZMNLT-BQBZGAKWSA-N 1 1 138.214 1.287 10 30 ADEEMO CCC[C@@H]1C[C@H](C=O)[N@@H+](C)C1 238275458 573091345 /nfs/dbraw/zinc/09/13/45/573091345.db2.gz CGERCLMZASQRAV-RKDXNWHRSA-N 1 1 155.241 1.306 10 30 ADEEMO C[C@@H]1C[C@H](C#N)[NH2+]C1(C)C 104625210 573091346 /nfs/dbraw/zinc/09/13/46/573091346.db2.gz KWVUMNQLQZMNLT-RNFRBKRXSA-N 1 1 138.214 1.287 10 30 ADEEMO C[C@H]1C[C@H](C#N)[NH2+]C1(C)C 104625216 573091356 /nfs/dbraw/zinc/09/13/56/573091356.db2.gz KWVUMNQLQZMNLT-NKWVEPMBSA-N 1 1 138.214 1.287 10 30 ADEEMO CC(C)(C)C[C@@](C)([NH3+])C#N 104648888 573120694 /nfs/dbraw/zinc/12/06/94/573120694.db2.gz NDXJZABKMSSMIR-MRVPVSSYSA-N 1 1 140.230 1.664 10 30 ADEEMO C=CC[N@H+](CC(=C)C)[C@@H]1CCOC1 308274868 573121412 /nfs/dbraw/zinc/12/14/12/573121412.db2.gz UZLHAQSHTACIBD-LLVKDONJSA-N 1 1 181.279 1.839 10 30 ADEEMO N#CC[C@H]1CCC[N@H+]2CCSC[C@H]12 259522430 573597918 /nfs/dbraw/zinc/59/79/18/573597918.db2.gz AZEPRNXRDYXCEJ-NXEZZACHSA-N 1 1 196.319 1.727 10 30 ADEEMO O=CCC[N@H+]1CCC[C@H]2CCC[C@H]21 83701665 573597919 /nfs/dbraw/zinc/59/79/19/573597919.db2.gz XRQFHKMXCHWNDW-GHMZBOCLSA-N 1 1 181.279 1.840 10 30 ADEEMO C=CCC[C@@H](C)[NH2+]C[C@H]1CCN(C)C1 131968881 573128481 /nfs/dbraw/zinc/12/84/81/573128481.db2.gz POOQCCKGPYNMBM-VXGBXAGGSA-N 1 1 196.338 1.882 10 30 ADEEMO C=CCC[C@H](C)[NH2+]C[C@H]1CCN(C)C1 131968706 573129004 /nfs/dbraw/zinc/12/90/04/573129004.db2.gz POOQCCKGPYNMBM-NWDGAFQWSA-N 1 1 196.338 1.882 10 30 ADEEMO C/C=[NH+]/CCCCN1CCCN[C@@H]1C 224661192 573134915 /nfs/dbraw/zinc/13/49/15/573134915.db2.gz WVFSTMUEGCPHJD-RYHFPONZSA-N 1 1 197.326 1.499 10 30 ADEEMO C=CC[N@H+](CC#CC)[C@H]1CCOC1 308278757 573135154 /nfs/dbraw/zinc/13/51/54/573135154.db2.gz WWILWRBRMMRQKO-NSHDSACASA-N 1 1 179.263 1.287 10 30 ADEEMO C#C[C@@](C)(CO)[N@@H+](C)C(C)(C)C 238292307 573151018 /nfs/dbraw/zinc/15/10/18/573151018.db2.gz RTUNFEFBGGLOPQ-JTQLQIEISA-N 1 1 169.268 1.101 10 30 ADEEMO C#CC[NH2+][C@H](c1nccs1)C1CC1 308258742 573137726 /nfs/dbraw/zinc/13/77/26/573137726.db2.gz LGJYLHCYNHKQNP-VIFPVBQESA-N 1 1 192.287 1.817 10 30 ADEEMO C=C[C@H]([NH3+])[C@@](C)(CC)N(C)C 85745102 573137826 /nfs/dbraw/zinc/13/78/26/573137826.db2.gz YRXBEGOEKZLIAQ-DTWKUNHWSA-N 1 1 156.273 1.230 10 30 ADEEMO Cc1ncccc1[C@@H]([NH3+])CC#N 104661284 573137843 /nfs/dbraw/zinc/13/78/43/573137843.db2.gz AYZLZTYWBBVRKJ-VIFPVBQESA-N 1 1 161.208 1.304 10 30 ADEEMO C=CC[N@H+]1C[C@@H](CC)NC[C@@H]1C(C)C 223913932 573151123 /nfs/dbraw/zinc/15/11/23/573151123.db2.gz ZDYYYVDIILFRSH-VXGBXAGGSA-N 1 1 196.338 1.881 10 30 ADEEMO C=CC[N@@H+]1C[C@@H](CC)NC[C@@H]1C(C)C 223913932 573151129 /nfs/dbraw/zinc/15/11/29/573151129.db2.gz ZDYYYVDIILFRSH-VXGBXAGGSA-N 1 1 196.338 1.881 10 30 ADEEMO C#CC(C)(C)[N@@H+](C)[C@H]1CCC[C@@H]1O 238305908 573183337 /nfs/dbraw/zinc/18/33/37/573183337.db2.gz SYVUQDBQJZMPGA-UWVGGRQHSA-N 1 1 181.279 1.243 10 30 ADEEMO C#C[C@@H](C)[NH2+]C[C@H](C#N)CCC#N 308284508 573153093 /nfs/dbraw/zinc/15/30/93/573153093.db2.gz YIPKFIRFLPTIFN-ZJUUUORDSA-N 1 1 175.235 1.041 10 30 ADEEMO Cc1ccncc1[C@@H]([NH3+])CC#N 104669472 573161491 /nfs/dbraw/zinc/16/14/91/573161491.db2.gz QJKUQMUAYIVYCB-VIFPVBQESA-N 1 1 161.208 1.304 10 30 ADEEMO C=CCCN[C@H](C)C[NH2+]CCC 128983203 573177802 /nfs/dbraw/zinc/17/78/02/573177802.db2.gz DYBJTRZFEDPPNS-SNVBAGLBSA-N 1 1 170.300 1.540 10 30 ADEEMO C=C[C@H](C)NC(=O)CC[N@H+](C)CC 308239469 573183508 /nfs/dbraw/zinc/18/35/08/573183508.db2.gz SDOGLMBWIOVRHX-VIFPVBQESA-N 1 1 184.283 1.019 10 30 ADEEMO CC(C)(C#N)[C@]1(O)CC[N@H+](C2CC2)C1 85882883 573183125 /nfs/dbraw/zinc/18/31/25/573183125.db2.gz LQELESOMSTXRDH-NSHDSACASA-N 1 1 194.278 1.135 10 30 ADEEMO CC[C@]1(C)C[C@@H](C=O)CC[N@H+]1C 238305029 573183273 /nfs/dbraw/zinc/18/32/73/573183273.db2.gz DPMFYRFSQMKLAO-VHSXEESVSA-N 1 1 169.268 1.696 10 30 ADEEMO CC(C)(C#N)[C@@]1(O)CC[N@H+](C2CC2)C1 85882885 573183291 /nfs/dbraw/zinc/18/32/91/573183291.db2.gz LQELESOMSTXRDH-LLVKDONJSA-N 1 1 194.278 1.135 10 30 ADEEMO C[N@H+]1CC[C@@](C)(C(C)(C)C=O)C1 238307380 573212477 /nfs/dbraw/zinc/21/24/77/573212477.db2.gz CCGNJZLOUDOVPT-SNVBAGLBSA-N 1 1 169.268 1.553 10 30 ADEEMO CC[C@@H](C#N)C[C@H]1CC[N@@H+](C)C1 259372872 573212046 /nfs/dbraw/zinc/21/20/46/573212046.db2.gz MVQMYTFCKNUMMP-NXEZZACHSA-N 1 1 166.268 1.878 10 30 ADEEMO C[NH2+][C@H](c1cc[nH]c1)C1(C#N)CCC1 259375965 573212235 /nfs/dbraw/zinc/21/22/35/573212235.db2.gz LQOMJMWSCGXUTN-SNVBAGLBSA-N 1 1 189.262 1.969 10 30 ADEEMO C[C@H](C#N)OCC[N@@H+](C)CC1CCC1 308517416 573215622 /nfs/dbraw/zinc/21/56/22/573215622.db2.gz FXDNLZSRKRAXTN-SNVBAGLBSA-N 1 1 196.294 1.647 10 30 ADEEMO CC[C@H](C#N)CN(C)[C@@H]1CC[N@@H+](C)C1 259036728 573215625 /nfs/dbraw/zinc/21/56/25/573215625.db2.gz QXCPYBBYMHGMPM-GHMZBOCLSA-N 1 1 195.310 1.172 10 30 ADEEMO C[N@H+]1CC[C@@H]([C@H]2OC2(C)C)C1 259380227 573215630 /nfs/dbraw/zinc/21/56/30/573215630.db2.gz RCRHBXOYVZIOQA-HTQZYQBOSA-N 1 1 155.241 1.116 10 30 ADEEMO C=CC[N@@H+](Cc1cnc(N)o1)C(C)C 308517842 573214983 /nfs/dbraw/zinc/21/49/83/573214983.db2.gz NMVQMUGGRZNOOX-UHFFFAOYSA-N 1 1 195.266 1.653 10 30 ADEEMO CC[C@H](C#N)CN(C)[C@H]1CC[N@@H+](C)C1 259036729 573215492 /nfs/dbraw/zinc/21/54/92/573215492.db2.gz QXCPYBBYMHGMPM-MNOVXSKESA-N 1 1 195.310 1.172 10 30 ADEEMO C=CC[N@H+](C1CC1)[C@@H](CN)C(C)C 132120758 573216785 /nfs/dbraw/zinc/21/67/85/573216785.db2.gz PMIHWBRLUAWQMP-NSHDSACASA-N 1 1 182.311 1.620 10 30 ADEEMO C=CC[N@@H+](C1CC1)[C@@H](CN)C(C)C 132120758 573216790 /nfs/dbraw/zinc/21/67/90/573216790.db2.gz PMIHWBRLUAWQMP-NSHDSACASA-N 1 1 182.311 1.620 10 30 ADEEMO C[C@@H](C#N)OCC[N@@H+](C)CC1CCC1 308517415 573216833 /nfs/dbraw/zinc/21/68/33/573216833.db2.gz FXDNLZSRKRAXTN-JTQLQIEISA-N 1 1 196.294 1.647 10 30 ADEEMO CC(C)[N@H+]1CC[C@H]([C@H](F)C=O)C1 257973230 573217047 /nfs/dbraw/zinc/21/70/47/573217047.db2.gz YWKFTUCISVDNFJ-DTWKUNHWSA-N 1 1 173.231 1.254 10 30 ADEEMO C[N@H+]1CC[C@H]([C@H]2OC2(C)C)C1 259380229 573217281 /nfs/dbraw/zinc/21/72/81/573217281.db2.gz RCRHBXOYVZIOQA-JGVFFNPUSA-N 1 1 155.241 1.116 10 30 ADEEMO C[C@@H](C#N)[C@@H](C)[NH2+]Cc1cccn1C 308519231 573223269 /nfs/dbraw/zinc/22/32/69/573223269.db2.gz OAYTUCKTFCTWAE-VHSXEESVSA-N 1 1 191.278 1.663 10 30 ADEEMO C=CCc1noc(C[NH2+]C(C)(C)C)n1 308518242 573222452 /nfs/dbraw/zinc/22/24/52/573222452.db2.gz NQTLHPIFOUXSHP-UHFFFAOYSA-N 1 1 195.266 1.686 10 30 ADEEMO N#Cc1cc2[nH]c[nH+]c2cc1N 115818445 573222745 /nfs/dbraw/zinc/22/27/45/573222745.db2.gz WSVVYCCYTPODSB-UHFFFAOYSA-N 1 1 158.164 1.017 10 30 ADEEMO C=CC[C@H](C)[C@@H]([NH2+]C)[C@@H]1CCN(C)C1 715704378 573222979 /nfs/dbraw/zinc/22/29/79/573222979.db2.gz JLIAAUIZVXLDJH-QJPTWQEYSA-N 1 1 196.338 1.738 10 30 ADEEMO C[C@@H]1C[N@H+]([C@@H](C)C#N)C[C@@H]1C 86009947 573228588 /nfs/dbraw/zinc/22/85/88/573228588.db2.gz USCNHVWMNPFXSA-YIZRAAEISA-N 1 1 152.241 1.486 10 30 ADEEMO C[C@@H]1C[N@@H+]([C@@H](C)C#N)C[C@@H]1C 86009947 573228594 /nfs/dbraw/zinc/22/85/94/573228594.db2.gz USCNHVWMNPFXSA-YIZRAAEISA-N 1 1 152.241 1.486 10 30 ADEEMO C=CCN(C1CC1)[C@H]1CC[C@@H]1C[NH2+]C 132140074 573228723 /nfs/dbraw/zinc/22/87/23/573228723.db2.gz NEBAVQZXFNYDFP-PWSUYJOCSA-N 1 1 194.322 1.635 10 30 ADEEMO N#CC[C@@H]([NH3+])c1ccc2ncoc2c1 259038945 573228951 /nfs/dbraw/zinc/22/89/51/573228951.db2.gz KLCUQZBEHCVYNT-MRVPVSSYSA-N 1 1 187.202 1.741 10 30 ADEEMO CC[C@H]([NH3+])c1ccc(C#N)cc1O 238314825 573236518 /nfs/dbraw/zinc/23/65/18/573236518.db2.gz OYFPPGKCIRPCLJ-VIFPVBQESA-N 1 1 176.219 1.674 10 30 ADEEMO C=CCC[NH2+][C@H](C(=O)OC)[C@H](C)C=C 308527832 573236575 /nfs/dbraw/zinc/23/65/75/573236575.db2.gz QZYAPPQDMQRHBQ-ZJUUUORDSA-N 1 1 197.278 1.516 10 30 ADEEMO C#CC[NH2+][C@@H](C)c1ncc(CC)s1 125973810 573244656 /nfs/dbraw/zinc/24/46/56/573244656.db2.gz XUWJJZVCEQTEOY-QMMMGPOBSA-N 1 1 194.303 1.989 10 30 ADEEMO C=CCC[C@H](C)[N@H+]1CCC[C@H](O)C1 308320613 573244320 /nfs/dbraw/zinc/24/43/20/573244320.db2.gz AWZGEABQWICJIV-QWRGUYRKSA-N 1 1 183.295 1.798 10 30 ADEEMO N#C[C@@]1([NH3+])CCC[C@@H](C(F)(F)F)C1 82862950 573244346 /nfs/dbraw/zinc/24/43/46/573244346.db2.gz NPWXOMBPONGEPE-RNFRBKRXSA-N 1 1 192.184 1.960 10 30 ADEEMO C[C@@H]1C[C@@]1(C#N)[C@@H]1CCC[N@@H+](C)C1 259045784 573244415 /nfs/dbraw/zinc/24/44/15/573244415.db2.gz UKKKCXSYBOPDDB-MXWKQRLJSA-N 1 1 178.279 1.878 10 30 ADEEMO C=CCCCCNc1nc(N)cc[nH+]1 308522202 573244423 /nfs/dbraw/zinc/24/44/23/573244423.db2.gz YPHIUSAATJYVHI-UHFFFAOYSA-N 1 1 192.266 1.827 10 30 ADEEMO CN1/C(=[NH+]/CCO)Cc2ccccc21 238316584 573250433 /nfs/dbraw/zinc/25/04/33/573250433.db2.gz LCZMBDPNEVOXGO-VAWYXSNFSA-N 1 1 190.246 1.070 10 30 ADEEMO COCCC[N@H+]1C[C@H](C#N)CC1(C)C 259391876 573250486 /nfs/dbraw/zinc/25/04/86/573250486.db2.gz LSLKDIANLWOXKD-JTQLQIEISA-N 1 1 196.294 1.647 10 30 ADEEMO CC[C@H](C#N)[C@@H]([NH3+])c1ccncc1 259394011 573259320 /nfs/dbraw/zinc/25/93/20/573259320.db2.gz LNNXCNCXMPGHSR-PSASIEDQSA-N 1 1 175.235 1.631 10 30 ADEEMO C=C[C@](C)(CO)Cc1[nH+]ccn1C 689841392 573262398 /nfs/dbraw/zinc/26/23/98/573262398.db2.gz CXTOHMKYQLDRQB-JTQLQIEISA-N 1 1 180.251 1.147 10 30 ADEEMO COCCC[N@@H+](C)C/C=C\CS 211639451 573262639 /nfs/dbraw/zinc/26/26/39/573262639.db2.gz KKBSYTFOHLWPEZ-ARJAWSKDSA-N 1 1 189.324 1.441 10 30 ADEEMO C[C@H](O)C[C@@H]1CCC[N@H+]1C[C@H](C)C#N 308530872 573262688 /nfs/dbraw/zinc/26/26/88/573262688.db2.gz CJRIPRLLAUTLEX-VWYCJHECSA-N 1 1 196.294 1.381 10 30 ADEEMO C[C@H]1CC[N@@H+](CC(C)(C)C#N)[C@@H]1CO 405092454 573278023 /nfs/dbraw/zinc/27/80/23/573278023.db2.gz QZXWQSAWVPIJPJ-VHSXEESVSA-N 1 1 196.294 1.239 10 30 ADEEMO C#CCC[N@H+](C)[C@H]1CCCC[C@@H]1[NH3+] 238330529 573277419 /nfs/dbraw/zinc/27/74/19/573277419.db2.gz ZNVHFRFNWQKBLC-QWRGUYRKSA-N 1 1 180.295 1.211 10 30 ADEEMO C#CCCN(C)[C@H]1CCCC[C@@H]1[NH3+] 238330529 573277427 /nfs/dbraw/zinc/27/74/27/573277427.db2.gz ZNVHFRFNWQKBLC-QWRGUYRKSA-N 1 1 180.295 1.211 10 30 ADEEMO C[C@@H]1CC[N@@H+](CC(C)(C)C#N)[C@H]1CO 405092455 573277797 /nfs/dbraw/zinc/27/77/97/573277797.db2.gz QZXWQSAWVPIJPJ-ZJUUUORDSA-N 1 1 196.294 1.239 10 30 ADEEMO CC[C@@H](C)[N@H+]1CCC[C@@H](NCC#N)C1 259399554 573277950 /nfs/dbraw/zinc/27/79/50/573277950.db2.gz RJGFZIGKXUCQJY-GHMZBOCLSA-N 1 1 195.310 1.362 10 30 ADEEMO C=CC[N@H+]1CC[C@@H](CO)C(C)(C)C1 259405829 573289618 /nfs/dbraw/zinc/28/96/18/573289618.db2.gz YEEPUJZQTOZTKQ-JTQLQIEISA-N 1 1 183.295 1.513 10 30 ADEEMO C=C(CO)C[C@H]1CC[N@H+](CC)C1 258277986 573289719 /nfs/dbraw/zinc/28/97/19/573289719.db2.gz SJENCRBINHNEJO-SNVBAGLBSA-N 1 1 169.268 1.267 10 30 ADEEMO C=CC[N@H+]1CCNC[C@]1(C)CC 82927259 573289875 /nfs/dbraw/zinc/28/98/75/573289875.db2.gz MXWSZKBKZVIWFZ-JTQLQIEISA-N 1 1 168.284 1.246 10 30 ADEEMO C=CC[N@@H+]1CCNC[C@]1(C)CC 82927259 573289879 /nfs/dbraw/zinc/28/98/79/573289879.db2.gz MXWSZKBKZVIWFZ-JTQLQIEISA-N 1 1 168.284 1.246 10 30 ADEEMO C[N@H+]1CC[C@@H](C2(C#N)CCC2)C1 259081881 573312260 /nfs/dbraw/zinc/31/22/60/573312260.db2.gz CRLONSCPOUWFBI-SECBINFHSA-N 1 1 164.252 1.632 10 30 ADEEMO C=C(C(=O)OC)[C@@H]1CCC[N@@H+](C)C1 258000931 573312368 /nfs/dbraw/zinc/31/23/68/573312368.db2.gz AIVMHOVTUFTBFR-SECBINFHSA-N 1 1 183.251 1.057 10 30 ADEEMO C[C@]1(O)CCC[N@@H+](CCC[C@@H]2CO2)C1 308546400 573312121 /nfs/dbraw/zinc/31/21/21/573312121.db2.gz VRIQVKSDKLHOLY-MNOVXSKESA-N 1 1 199.294 1.012 10 30 ADEEMO C=CCOCC[N@H+]1CCC(=O)C[C@@H]1C 308546024 573312758 /nfs/dbraw/zinc/31/27/58/573312758.db2.gz NYFDQPWEJJEWJI-JTQLQIEISA-N 1 1 197.278 1.242 10 30 ADEEMO C=CCOCC[N@@H+]1CCC(=O)C[C@@H]1C 308546024 573312766 /nfs/dbraw/zinc/31/27/66/573312766.db2.gz NYFDQPWEJJEWJI-JTQLQIEISA-N 1 1 197.278 1.242 10 30 ADEEMO CCOc1ccc([C@H]([NH3+])C=O)cc1C 259413772 573312803 /nfs/dbraw/zinc/31/28/03/573312803.db2.gz OQPJFVNQOIEUDC-SNVBAGLBSA-N 1 1 193.246 1.592 10 30 ADEEMO C[N@@H+](CCC[C@H]1CO1)Cc1ccco1 308546534 573312825 /nfs/dbraw/zinc/31/28/25/573312825.db2.gz VXFNTXROPMNERB-NSHDSACASA-N 1 1 195.262 1.890 10 30 ADEEMO C[N@H+]1CC[C@H](C2(C#N)CCC2)C1 259081882 573312884 /nfs/dbraw/zinc/31/28/84/573312884.db2.gz CRLONSCPOUWFBI-VIFPVBQESA-N 1 1 164.252 1.632 10 30 ADEEMO C=C(C)C[NH2+][C@H]1CCN(CC)C[C@@H]1C 308553414 573322573 /nfs/dbraw/zinc/32/25/73/573322573.db2.gz YKGUQYCEEFJOSR-RYUDHWBXSA-N 1 1 196.338 1.882 10 30 ADEEMO CC(C)(C#N)[C@H]([NH3+])c1cccnc1 259420000 573333851 /nfs/dbraw/zinc/33/38/51/573333851.db2.gz MRHYPVHGTSMKGH-SECBINFHSA-N 1 1 175.235 1.631 10 30 ADEEMO Cc1ccoc1C[N@@H+](C)C[C@@H]1CO1 308346258 573336656 /nfs/dbraw/zinc/33/66/56/573336656.db2.gz VPTHLKOTYAHXOH-SECBINFHSA-N 1 1 181.235 1.419 10 30 ADEEMO C[NH2+][C@@H](CC#N)c1cccs1 259425837 573356669 /nfs/dbraw/zinc/35/66/69/573356669.db2.gz NTZBEQWOBISTPZ-ZETCQYMHSA-N 1 1 166.249 1.922 10 30 ADEEMO C=CCCC[N@H+]1C[C@H](OC)C[C@@H]1CO 308561954 573356801 /nfs/dbraw/zinc/35/68/01/573356801.db2.gz FTSMLMKUPLUBGQ-GHMZBOCLSA-N 1 1 199.294 1.034 10 30 ADEEMO COc1ccc(N)cc1[C@@H]([NH3+])CC#N 238367652 573356429 /nfs/dbraw/zinc/35/64/29/573356429.db2.gz FJKZAMLZZWOCOH-VIFPVBQESA-N 1 1 191.234 1.191 10 30 ADEEMO C=CCC[C@@H](C)[N@H+](C)[C@H](C)CN 308364981 573361478 /nfs/dbraw/zinc/36/14/78/573361478.db2.gz HCIBFBAMFUZHKJ-NXEZZACHSA-N 1 1 170.300 1.620 10 30 ADEEMO C=CCC[C@@H](C)N(C)[C@H](C)C[NH3+] 308364981 573361482 /nfs/dbraw/zinc/36/14/82/573361482.db2.gz HCIBFBAMFUZHKJ-NXEZZACHSA-N 1 1 170.300 1.620 10 30 ADEEMO C#CC[N@H+](CCOC)[C@@H]1CCSC1 308365293 573361117 /nfs/dbraw/zinc/36/11/17/573361117.db2.gz NVQHNMKWFPAQKT-SNVBAGLBSA-N 1 1 199.319 1.074 10 30 ADEEMO C[N@@H+](CC=O)CCc1ccsc1 714683038 573363762 /nfs/dbraw/zinc/36/37/62/573363762.db2.gz VRGVPWOKPQDKSC-UHFFFAOYSA-N 1 1 183.276 1.421 10 30 ADEEMO C[N@H+](CC=O)CCc1ccsc1 714683038 573363768 /nfs/dbraw/zinc/36/37/68/573363768.db2.gz VRGVPWOKPQDKSC-UHFFFAOYSA-N 1 1 183.276 1.421 10 30 ADEEMO CC[N@H+]1CCC[C@@H]1/C=C\CC=O 258314389 573363072 /nfs/dbraw/zinc/36/30/72/573363072.db2.gz VRCDGFVGPQLAOR-NWPZZWLHSA-N 1 1 167.252 1.616 10 30 ADEEMO C=CCC[N@H+](C)Cc1cccc(N)n1 308563901 573368919 /nfs/dbraw/zinc/36/89/19/573368919.db2.gz GUWVYJPTZHZIDR-UHFFFAOYSA-N 1 1 191.278 1.672 10 30 ADEEMO C=C(CN)[C@@H]1CCCC[N@H+]1C(C)C 258323796 573368282 /nfs/dbraw/zinc/36/82/82/573368282.db2.gz WIPQHQJPLZOQHJ-NSHDSACASA-N 1 1 182.311 1.764 10 30 ADEEMO C=C(CN)[C@@H]1CCCC[N@@H+]1C(C)C 258323796 573368286 /nfs/dbraw/zinc/36/82/86/573368286.db2.gz WIPQHQJPLZOQHJ-NSHDSACASA-N 1 1 182.311 1.764 10 30 ADEEMO C[N@H+]1CCCC[C@@H]1CC#CC=O 258319976 573368351 /nfs/dbraw/zinc/36/83/51/573368351.db2.gz WASBEXWPPCIDBY-SNVBAGLBSA-N 1 1 165.236 1.063 10 30 ADEEMO C=C(CC(=O)OC)C[C@H]1CCC[N@H+]1C 258321814 573368487 /nfs/dbraw/zinc/36/84/87/573368487.db2.gz WECCHPLVJAWMPD-SNVBAGLBSA-N 1 1 197.278 1.590 10 30 ADEEMO C=C(C)CC[N@H+]1C[C@@H](OC)C[C@@H]1CO 308564767 573368654 /nfs/dbraw/zinc/36/86/54/573368654.db2.gz HCXHOSDVHDKLBA-MNOVXSKESA-N 1 1 199.294 1.034 10 30 ADEEMO C[N@@H+](CCC#N)CC1CCC(O)CC1 308564318 573368722 /nfs/dbraw/zinc/36/87/22/573368722.db2.gz GZXHTXNZXHORCG-UHFFFAOYSA-N 1 1 196.294 1.383 10 30 ADEEMO C=C(C)CC[N@H+]1C[C@H](OC)C[C@@H]1CO 308564766 573368844 /nfs/dbraw/zinc/36/88/44/573368844.db2.gz HCXHOSDVHDKLBA-GHMZBOCLSA-N 1 1 199.294 1.034 10 30 ADEEMO C=CCC[C@@H](O)Cn1cc[nH+]c1C 308366200 573369764 /nfs/dbraw/zinc/36/97/64/573369764.db2.gz HZHVNEYPUAITRM-SNVBAGLBSA-N 1 1 180.251 1.519 10 30 ADEEMO C=C(CC(=O)OC)C[C@@H]1CCC[N@H+]1C 258321812 573369112 /nfs/dbraw/zinc/36/91/12/573369112.db2.gz WECCHPLVJAWMPD-JTQLQIEISA-N 1 1 197.278 1.590 10 30 ADEEMO C=CCN1CCC(C)(C)[C@H](C[NH2+]C)C1 259099166 573369921 /nfs/dbraw/zinc/36/99/21/573369921.db2.gz AHOUCHGBQLBDHD-LLVKDONJSA-N 1 1 196.338 1.740 10 30 ADEEMO COc1ccccc1[C@@](C)([NH3+])CC#N 238369680 573369445 /nfs/dbraw/zinc/36/94/45/573369445.db2.gz YHEVAXJYHBYDKO-NSHDSACASA-N 1 1 190.246 1.783 10 30 ADEEMO C=CCN1CCC(C)(C)[C@@H](C[NH2+]C)C1 259099168 573369568 /nfs/dbraw/zinc/36/95/68/573369568.db2.gz AHOUCHGBQLBDHD-NSHDSACASA-N 1 1 196.338 1.740 10 30 ADEEMO C=C[C@@H](C)[C@H]([NH2+]CCCC)C(=O)OC 308566983 573381332 /nfs/dbraw/zinc/38/13/32/573381332.db2.gz AZWNQBJTPGKEIY-ZJUUUORDSA-N 1 1 199.294 1.740 10 30 ADEEMO CC[C@H]1C[N@H+](C(C)C)C[C@@H]1NCC#N 308566628 573380959 /nfs/dbraw/zinc/38/09/59/573380959.db2.gz AUNFDDGHZQESNZ-QWRGUYRKSA-N 1 1 195.310 1.218 10 30 ADEEMO CC[C@@]([NH3+])(C#N)C1CC1 83057470 573381795 /nfs/dbraw/zinc/38/17/95/573381795.db2.gz BJLPSFUTYVMOMI-SSDOTTSWSA-N 1 1 124.187 1.027 10 30 ADEEMO CC[N@H+]1CCC[C@@](O)(CCC=O)CC1 308567234 573381865 /nfs/dbraw/zinc/38/18/65/573381865.db2.gz YZSQGEBFGSFHJH-LLVKDONJSA-N 1 1 199.294 1.202 10 30 ADEEMO CC[C@@H]1C[N@H+](C(C)C)C[C@H]1NCC#N 308566626 573382014 /nfs/dbraw/zinc/38/20/14/573382014.db2.gz AUNFDDGHZQESNZ-GHMZBOCLSA-N 1 1 195.310 1.218 10 30 ADEEMO CC(C)(C)[N@H+]1CCC[C@H](NCC#N)C1 259434493 573382366 /nfs/dbraw/zinc/38/23/66/573382366.db2.gz URYHRHUSQLWDAK-JTQLQIEISA-N 1 1 195.310 1.362 10 30 ADEEMO C#CC[NH2+][C@H](C)c1c(CC)noc1C 308566692 573383181 /nfs/dbraw/zinc/38/31/81/573383181.db2.gz AWXUWZNWQJEHDH-MRVPVSSYSA-N 1 1 192.262 1.829 10 30 ADEEMO C=C(C(=O)OC)[C@H]1CCC[N@H+]1C(C)C 258013537 573390688 /nfs/dbraw/zinc/39/06/88/573390688.db2.gz BEHPJKGKIDUADC-SNVBAGLBSA-N 1 1 197.278 1.588 10 30 ADEEMO C=CCN(CC)C[C@H]1CC[NH2+]C1 133343201 573390307 /nfs/dbraw/zinc/39/03/07/573390307.db2.gz KFQZLCHWPFIBHF-JTQLQIEISA-N 1 1 168.284 1.104 10 30 ADEEMO C=C(C)CC[N@H+]1C[C@H](C)[C@@H](N)C1 235582404 573392445 /nfs/dbraw/zinc/39/24/45/573392445.db2.gz ZJTACALKRBEYDD-UWVGGRQHSA-N 1 1 168.284 1.232 10 30 ADEEMO C=C(C)CC[N@@H+]1C[C@H](C)[C@@H](N)C1 235582404 573392451 /nfs/dbraw/zinc/39/24/51/573392451.db2.gz ZJTACALKRBEYDD-UWVGGRQHSA-N 1 1 168.284 1.232 10 30 ADEEMO C#CCCC[N@@H+]1CC[C@H]1COC 393517271 573392563 /nfs/dbraw/zinc/39/25/63/573392563.db2.gz LSAWTPSUPGJOAV-JTQLQIEISA-N 1 1 167.252 1.121 10 30 ADEEMO C[C@H]1CCC[C@@H](C[N@@H+](C)CC=O)C1 714689428 573397574 /nfs/dbraw/zinc/39/75/74/573397574.db2.gz UXFOFZJTISOCEW-WDEREUQCSA-N 1 1 183.295 1.943 10 30 ADEEMO CN(C)[C@@H](S)[C@@H]1CCC[N@@H+](C)C1 259440764 573409595 /nfs/dbraw/zinc/40/95/95/573409595.db2.gz IUDLINCEUJQWGP-BDAKNGLRSA-N 1 1 188.340 1.146 10 30 ADEEMO CCSc1ccc([C@H]([NH3+])C=O)cc1 259440299 573408973 /nfs/dbraw/zinc/40/89/73/573408973.db2.gz PYHAAQHKEBVYCF-SNVBAGLBSA-N 1 1 195.287 1.997 10 30 ADEEMO C[C@H]1C[C@H](CC#N)C[N@H+]1C 107217566 573409281 /nfs/dbraw/zinc/40/92/81/573409281.db2.gz BSFHVYZXLPOXIT-YUMQZZPRSA-N 1 1 138.214 1.240 10 30 ADEEMO CCSc1ccc([C@@H]([NH3+])C=O)cc1 259440294 573409283 /nfs/dbraw/zinc/40/92/83/573409283.db2.gz PYHAAQHKEBVYCF-JTQLQIEISA-N 1 1 195.287 1.997 10 30 ADEEMO CC[C@H](C#N)C[N@@H+](C)C(C)C 259098012 573409388 /nfs/dbraw/zinc/40/93/88/573409388.db2.gz WPNVOVDKEVIECK-SECBINFHSA-N 1 1 154.257 1.876 10 30 ADEEMO CC[C@H]1C[C@@H](C#N)C[N@H+]1C 107217551 573410255 /nfs/dbraw/zinc/41/02/55/573410255.db2.gz FVKHHETZDQHPEX-YUMQZZPRSA-N 1 1 138.214 1.240 10 30 ADEEMO CC[C@@H]1C[C@@H](C#N)C[N@H+]1C 107217547 573410285 /nfs/dbraw/zinc/41/02/85/573410285.db2.gz FVKHHETZDQHPEX-JGVFFNPUSA-N 1 1 138.214 1.240 10 30 ADEEMO CC[C@H](C#N)C[NH2+]Cc1cccnc1 258647068 573410627 /nfs/dbraw/zinc/41/06/27/573410627.db2.gz MINWSLUGPNBEEV-SNVBAGLBSA-N 1 1 189.262 1.721 10 30 ADEEMO C[N@H+]1C[C@@H](C#N)CC1(C)C 107217554 573410793 /nfs/dbraw/zinc/41/07/93/573410793.db2.gz YCEOQXWHYHGZHX-SSDOTTSWSA-N 1 1 138.214 1.240 10 30 ADEEMO C=C(CCO)C[C@H]1CCC[N@H+](C)C1 258335466 573417420 /nfs/dbraw/zinc/41/74/20/573417420.db2.gz XKBXWVMFWZMKEW-LLVKDONJSA-N 1 1 183.295 1.657 10 30 ADEEMO C[N@H+]1CCC[C@H](CC#N)CC1 107219009 573417576 /nfs/dbraw/zinc/41/75/76/573417576.db2.gz BICREXLTYRSHEY-SECBINFHSA-N 1 1 152.241 1.632 10 30 ADEEMO C#CCN(CC)Cc1[nH]ncc1C 308388542 573417606 /nfs/dbraw/zinc/41/76/06/573417606.db2.gz YJYRDYNYEYQKMU-UHFFFAOYSA-N 1 1 177.251 1.173 10 30 ADEEMO CC(C)[C@@H]1C[C@@H](C#N)C[N@H+]1C 107218939 573417613 /nfs/dbraw/zinc/41/76/13/573417613.db2.gz VVUDGCWRJDYGAZ-IUCAKERBSA-N 1 1 152.241 1.486 10 30 ADEEMO CC(C)[N@H+]1CC[C@H](C#N)[C@H]1C 107218967 573417754 /nfs/dbraw/zinc/41/77/54/573417754.db2.gz KZFVSZZEUGNESK-RKDXNWHRSA-N 1 1 152.241 1.629 10 30 ADEEMO C=CC[C@@H](C)[C@H]([NH2+]CC)c1cnn[nH]1 715798648 573418012 /nfs/dbraw/zinc/41/80/12/573418012.db2.gz WRWPOTRRWGVEBK-SCZZXKLOSA-N 1 1 194.282 1.668 10 30 ADEEMO CC(C)[C@@H]1C[C@H](C#N)CC[N@H+]1C 107222275 573421495 /nfs/dbraw/zinc/42/14/95/573421495.db2.gz VMWGMBLTPWRPNI-ZJUUUORDSA-N 1 1 166.268 1.876 10 30 ADEEMO CC[N@H+]1CCC=C(CCC=O)C1 258024707 573421624 /nfs/dbraw/zinc/42/16/24/573421624.db2.gz JTDOKBYQKNMMGH-UHFFFAOYSA-N 1 1 167.252 1.618 10 30 ADEEMO CC(C)[C@@H]1C[C@@H](C#N)CC[N@H+]1C 107222282 573421853 /nfs/dbraw/zinc/42/18/53/573421853.db2.gz VMWGMBLTPWRPNI-UWVGGRQHSA-N 1 1 166.268 1.876 10 30 ADEEMO C[C@@H]1C[C@H](CC#N)C[N@H+]1C1CC1 107221459 573426328 /nfs/dbraw/zinc/42/63/28/573426328.db2.gz MXGHLDZDMFPYIA-BDAKNGLRSA-N 1 1 164.252 1.773 10 30 ADEEMO CC1(C)C[C@H](C#N)C[N@H+]1C1CC1 107221452 573426663 /nfs/dbraw/zinc/42/66/63/573426663.db2.gz GLWIACMEFGLMSL-MRVPVSSYSA-N 1 1 164.252 1.773 10 30 ADEEMO N#CC[C@@H]1CCC[N@H+](C2CC2)C1 107221473 573426847 /nfs/dbraw/zinc/42/68/47/573426847.db2.gz QWLOXXAUYGNONT-VIFPVBQESA-N 1 1 164.252 1.774 10 30 ADEEMO C#CCC[N@@H+]1CCC[C@H](C)[C@H]1CN 69726988 573430629 /nfs/dbraw/zinc/43/06/29/573430629.db2.gz JNWJGIVLPGERIV-WDEREUQCSA-N 1 1 180.295 1.069 10 30 ADEEMO C#CCCN1CCC[C@H](C)[C@H]1C[NH3+] 69726988 573430634 /nfs/dbraw/zinc/43/06/34/573430634.db2.gz JNWJGIVLPGERIV-WDEREUQCSA-N 1 1 180.295 1.069 10 30 ADEEMO CC(C)[N@H+](CCC#N)CC[C@H](C)O 133777664 573429836 /nfs/dbraw/zinc/42/98/36/573429836.db2.gz UOVQMLCARBCEGK-JTQLQIEISA-N 1 1 184.283 1.381 10 30 ADEEMO C=CCN[C@@H](C)C[NH+]1CCCC1 50522131 573445073 /nfs/dbraw/zinc/44/50/73/573445073.db2.gz GLMIOEKUMRNJJR-JTQLQIEISA-N 1 1 168.284 1.246 10 30 ADEEMO CC(C)[C@@H](C#N)[C@H]([NH3+])c1ccncc1 259456269 573458238 /nfs/dbraw/zinc/45/82/38/573458238.db2.gz OMPBHZBAYAZANO-GHMZBOCLSA-N 1 1 189.262 1.877 10 30 ADEEMO CC[C@@H](C)[N@@H+]1CCC[C@](N)(C#N)C1 259456711 573458297 /nfs/dbraw/zinc/45/82/97/573458297.db2.gz WPTUIOHOECUACD-ZJUUUORDSA-N 1 1 181.283 1.102 10 30 ADEEMO CC[C@@H](C)[N@H+]1CCC[C@](N)(C#N)C1 259456711 573458300 /nfs/dbraw/zinc/45/83/00/573458300.db2.gz WPTUIOHOECUACD-ZJUUUORDSA-N 1 1 181.283 1.102 10 30 ADEEMO C#C[C@@H]([NH2+]C)c1c(F)cccc1F 86477547 573458708 /nfs/dbraw/zinc/45/87/08/573458708.db2.gz NFHYVSBXVXUQOR-SECBINFHSA-N 1 1 181.185 1.859 10 30 ADEEMO C=C(C)C[N@H+]1CCC[C@@H](C)[C@H]1CN 69727257 573458790 /nfs/dbraw/zinc/45/87/90/573458790.db2.gz ZICUNNMZUGXKGE-GHMZBOCLSA-N 1 1 182.311 1.622 10 30 ADEEMO C=C(C)C[N@@H+]1CCC[C@@H](C)[C@H]1CN 69727257 573458794 /nfs/dbraw/zinc/45/87/94/573458794.db2.gz ZICUNNMZUGXKGE-GHMZBOCLSA-N 1 1 182.311 1.622 10 30 ADEEMO C[N@H+]1CCCC[C@@H]1/C=C\CC=O 258368034 573460262 /nfs/dbraw/zinc/46/02/62/573460262.db2.gz ZZGMZBXWDRHQGX-WXGCRTCVSA-N 1 1 167.252 1.616 10 30 ADEEMO CC(C)/[NH+]=C/[C@H]1OC1(C)C 137968056 573460276 /nfs/dbraw/zinc/46/02/76/573460276.db2.gz WAQGBYJWTAUISW-AJQDLKILSA-N 1 1 141.214 1.643 10 30 ADEEMO C[N@H+]1CCCC[C@H]1/C=C\CC=O 258368032 573460400 /nfs/dbraw/zinc/46/04/00/573460400.db2.gz ZZGMZBXWDRHQGX-NXSJDDFASA-N 1 1 167.252 1.616 10 30 ADEEMO C=C(CCO)C[C@H]1CCC[N@@H+]1C 258367439 573461117 /nfs/dbraw/zinc/46/11/17/573461117.db2.gz ZXDVGCUYSNFSOJ-SNVBAGLBSA-N 1 1 169.268 1.409 10 30 ADEEMO C=C(CO)[C@@H]1CC[N@H+](C(C)C)C1 258037370 573467723 /nfs/dbraw/zinc/46/77/23/573467723.db2.gz CISFVCYNVNSUGU-SNVBAGLBSA-N 1 1 169.268 1.265 10 30 ADEEMO C=CC[NH2+]CCN[C@H]1C[C@@H]1CCC 233406090 573467126 /nfs/dbraw/zinc/46/71/26/573467126.db2.gz ISDUZKHAKXAZER-QWRGUYRKSA-N 1 1 182.311 1.540 10 30 ADEEMO C=C(CO)[C@H]1CC[N@H+](C(C)C)C1 258037368 573467177 /nfs/dbraw/zinc/46/71/77/573467177.db2.gz CISFVCYNVNSUGU-JTQLQIEISA-N 1 1 169.268 1.265 10 30 ADEEMO C=CCNCC[NH+]1C[C@@H]2CCC[C@H]2C1 126278451 573467204 /nfs/dbraw/zinc/46/72/04/573467204.db2.gz TZNYTBREVAUAOZ-RYUDHWBXSA-N 1 1 194.322 1.494 10 30 ADEEMO N#Cc1ccc(C[NH+]2CCC2)o1 306633888 573472130 /nfs/dbraw/zinc/47/21/30/573472130.db2.gz TUAQRMLPFHUHLX-UHFFFAOYSA-N 1 1 162.192 1.357 10 30 ADEEMO C[C@H]1CCC[N@@H+]1CCN[C@H](C)CC#N 308593079 573472536 /nfs/dbraw/zinc/47/25/36/573472536.db2.gz WTFHBCRRDKSVHU-MNOVXSKESA-N 1 1 195.310 1.362 10 30 ADEEMO C[C@@H](CC#N)NCC[N@H+]1CCC[C@@H]1C 308593081 573472599 /nfs/dbraw/zinc/47/25/99/573472599.db2.gz WTFHBCRRDKSVHU-QWRGUYRKSA-N 1 1 195.310 1.362 10 30 ADEEMO C[C@H](CC#N)NCC[N@H+]1CCC[C@H]1C 308592948 573472703 /nfs/dbraw/zinc/47/27/03/573472703.db2.gz WTFHBCRRDKSVHU-GHMZBOCLSA-N 1 1 195.310 1.362 10 30 ADEEMO C=CCC[N@@H+]1CC[C@@H](CCOC)C1 308392075 573472781 /nfs/dbraw/zinc/47/27/81/573472781.db2.gz BLJSSOGFLJZLMR-NSHDSACASA-N 1 1 183.295 1.921 10 30 ADEEMO C[C@H](O)CCC[N@H+]1CCCC[C@@H]1C=O 308595834 573481384 /nfs/dbraw/zinc/48/13/84/573481384.db2.gz YQHXPRVGWCWQGA-WDEREUQCSA-N 1 1 199.294 1.201 10 30 ADEEMO COCC[C@@H](C)[N@@H+](C)CCC#N 130143483 573481435 /nfs/dbraw/zinc/48/14/35/573481435.db2.gz DLVOWOZJNYMYLF-SECBINFHSA-N 1 1 170.256 1.257 10 30 ADEEMO CCO[C@@]1(CC=O)CCC[N@@H+](CC)C1 257819300 573480642 /nfs/dbraw/zinc/48/06/42/573480642.db2.gz CWGKSPZAJBRQIZ-LLVKDONJSA-N 1 1 199.294 1.466 10 30 ADEEMO C[C@H]1C[C@@H](C)C[N@H+](CC#CC[NH3+])[C@H]1C 717447391 573480820 /nfs/dbraw/zinc/48/08/20/573480820.db2.gz AVIVMJXTOIZODD-WOPDTQHZSA-N 1 1 194.322 1.315 10 30 ADEEMO [NH3+]CC#CC[N@H+]1CC[C@H]2CCCC[C@H]21 717447401 573480851 /nfs/dbraw/zinc/48/08/51/573480851.db2.gz AVKSDFSHMKUPPG-VXGBXAGGSA-N 1 1 192.306 1.213 10 30 ADEEMO CSCC[C@H]1CCC[C@@]1([NH3+])C#N 86535713 573480932 /nfs/dbraw/zinc/48/09/32/573480932.db2.gz FCULHBKZHIEOSW-RKDXNWHRSA-N 1 1 184.308 1.761 10 30 ADEEMO CSCC[C@@H]1CCC[C@@]1([NH3+])C#N 86535711 573480947 /nfs/dbraw/zinc/48/09/47/573480947.db2.gz FCULHBKZHIEOSW-DTWKUNHWSA-N 1 1 184.308 1.761 10 30 ADEEMO CC[C@H](CC#N)[N@H+]1CCC[C@H]1CCO 308595126 573481009 /nfs/dbraw/zinc/48/10/09/573481009.db2.gz RJRSYCGFDGJFSP-MNOVXSKESA-N 1 1 196.294 1.525 10 30 ADEEMO C#CC[NH2+]Cc1ccc(OCC)cn1 308596281 573481159 /nfs/dbraw/zinc/48/11/59/573481159.db2.gz MQLHZFUFQWZRQJ-UHFFFAOYSA-N 1 1 190.246 1.203 10 30 ADEEMO CC[C@@H](CC#N)[N@H+]1CCC[C@H]1CCO 308595127 573483564 /nfs/dbraw/zinc/48/35/64/573483564.db2.gz RJRSYCGFDGJFSP-QWRGUYRKSA-N 1 1 196.294 1.525 10 30 ADEEMO COCC[C@@H]1CCC[C@]1([NH3+])C#N 86534470 573483841 /nfs/dbraw/zinc/48/38/41/573483841.db2.gz HLMGUCTVLAEVIF-IUCAKERBSA-N 1 1 168.240 1.044 10 30 ADEEMO CC[C@H](C#N)[C@H](N)[C@@H]1CCC[N@@H+](C)C1 259471290 573484077 /nfs/dbraw/zinc/48/40/77/573484077.db2.gz PDIGATXYJJMRIN-MXWKQRLJSA-N 1 1 195.310 1.205 10 30 ADEEMO CC[NH+](CC)[C@@]1(C#N)CCCOCC1 83426659 573496115 /nfs/dbraw/zinc/49/61/15/573496115.db2.gz DKTBVILCEATGFG-NSHDSACASA-N 1 1 196.294 1.791 10 30 ADEEMO C=CCOC(=O)[C@@H](CCC)[NH+](C)C 308397512 573495542 /nfs/dbraw/zinc/49/55/42/573495542.db2.gz FFEKJQNCKPQWEH-SECBINFHSA-N 1 1 185.267 1.446 10 30 ADEEMO C[C@H](C#N)Nc1ccc2[nH]c[nH+]c2c1 258695657 573495677 /nfs/dbraw/zinc/49/56/77/573495677.db2.gz DJOWZFVAVKSMPW-SSDOTTSWSA-N 1 1 186.218 1.887 10 30 ADEEMO N#C[C@]1([NH+]2CCCC2)CCCOCC1 83426661 573496040 /nfs/dbraw/zinc/49/60/40/573496040.db2.gz ATXFARYOTHPRAG-NSHDSACASA-N 1 1 194.278 1.545 10 30 ADEEMO C=CCOC(=O)[C@H](CCC)[NH+](C)C 308397513 573496072 /nfs/dbraw/zinc/49/60/72/573496072.db2.gz FFEKJQNCKPQWEH-VIFPVBQESA-N 1 1 185.267 1.446 10 30 ADEEMO C[N@H+]1CCC(C)(C)[C@@H](CC#N)C1 259108943 573503335 /nfs/dbraw/zinc/50/33/35/573503335.db2.gz BCRJTWXJZUNIKF-VIFPVBQESA-N 1 1 166.268 1.878 10 30 ADEEMO Cc1ccccc1[C@H]([NH3+])C=O 259479348 573503610 /nfs/dbraw/zinc/50/36/10/573503610.db2.gz SFTZOBFAXJKBFS-SECBINFHSA-N 1 1 149.193 1.194 10 30 ADEEMO C[N@H+](CCC#N)[C@H]1CCCC(=O)C1 86600561 573505602 /nfs/dbraw/zinc/50/56/02/573505602.db2.gz AWQXWJFPWRBIBW-VIFPVBQESA-N 1 1 180.251 1.344 10 30 ADEEMO C[N@@H+](CCC#N)[C@H]1CCCC(=O)C1 86600561 573505609 /nfs/dbraw/zinc/50/56/09/573505609.db2.gz AWQXWJFPWRBIBW-VIFPVBQESA-N 1 1 180.251 1.344 10 30 ADEEMO Cc1cn2c([nH]c3cc(C#N)[nH]c32)[nH+]1 259479813 573505082 /nfs/dbraw/zinc/50/50/82/573505082.db2.gz BTSGVWSZDCOFDX-UHFFFAOYSA-N 1 1 185.190 1.324 10 30 ADEEMO COC(C)(C)C[N@H+](CCC#N)C1CC1 393639152 573505340 /nfs/dbraw/zinc/50/53/40/573505340.db2.gz PGXPJXIZRYTYTL-UHFFFAOYSA-N 1 1 196.294 1.789 10 30 ADEEMO COC(C)(C)C[N@@H+](CCC#N)C1CC1 393639152 573505345 /nfs/dbraw/zinc/50/53/45/573505345.db2.gz PGXPJXIZRYTYTL-UHFFFAOYSA-N 1 1 196.294 1.789 10 30 ADEEMO CCO[C@@H]1CCC[N@@H+](CC[C@@H]2CO2)C1 308647519 573606621 /nfs/dbraw/zinc/60/66/21/573606621.db2.gz ICRPPSRGJAUMPZ-GHMZBOCLSA-N 1 1 199.294 1.276 10 30 ADEEMO OCCC[C@H]1CCC[N@H+]1CC[C@H]1CO1 308646928 573606671 /nfs/dbraw/zinc/60/66/71/573606671.db2.gz HVMPLNZWIYXQHI-MNOVXSKESA-N 1 1 199.294 1.012 10 30 ADEEMO CC(C)c1[nH]c2c(c1C#N)C[NH2+]C2 259479141 573506627 /nfs/dbraw/zinc/50/66/27/573506627.db2.gz AAHWMUUVDIUROJ-UHFFFAOYSA-N 1 1 175.235 1.613 10 30 ADEEMO CC[N@H+]1CC[C@H](C#N)[C@H]1C 259110802 573506632 /nfs/dbraw/zinc/50/66/32/573506632.db2.gz BILULVPFXXAIOE-HTQZYQBOSA-N 1 1 138.214 1.240 10 30 ADEEMO C#CC[N@@H+](C)CCc1ccc(N)cc1 130303139 573507918 /nfs/dbraw/zinc/50/79/18/573507918.db2.gz BNGOVIUENDCMFA-UHFFFAOYSA-N 1 1 188.274 1.376 10 30 ADEEMO CC[N@H+]1CC[C@@H](C#N)[C@H]1C 259110810 573508142 /nfs/dbraw/zinc/50/81/42/573508142.db2.gz BILULVPFXXAIOE-SFYZADRCSA-N 1 1 138.214 1.240 10 30 ADEEMO C[C@@H]1[C@H](C=O)C[C@@H](C)[N@H+](C)[C@@H]1C 238423035 573514140 /nfs/dbraw/zinc/51/41/40/573514140.db2.gz COIREINCORXXMU-RGOKHQFPSA-N 1 1 169.268 1.550 10 30 ADEEMO C[C@H](CC#N)[N@H+](C)[C@@H]1CCCC(=O)C1 86601264 573514461 /nfs/dbraw/zinc/51/44/61/573514461.db2.gz ITAOEBRGYNZRJO-NXEZZACHSA-N 1 1 194.278 1.732 10 30 ADEEMO C[C@H](CC#N)[N@@H+](C)[C@@H]1CCCC(=O)C1 86601264 573514466 /nfs/dbraw/zinc/51/44/66/573514466.db2.gz ITAOEBRGYNZRJO-NXEZZACHSA-N 1 1 194.278 1.732 10 30 ADEEMO Cc1[nH+]cn2c1CC[C@@H](CC#N)C2 259484852 573514553 /nfs/dbraw/zinc/51/45/53/573514553.db2.gz AQIUSPXEHKOANM-VIFPVBQESA-N 1 1 175.235 1.668 10 30 ADEEMO CCc1[nH+]ccn1-c1ccnc(C#N)c1 61815240 573514687 /nfs/dbraw/zinc/51/46/87/573514687.db2.gz YENDZLSIKLXZJG-UHFFFAOYSA-N 1 1 198.229 1.701 10 30 ADEEMO C[C@H](C#N)C[N@H+](C)[C@@H]1CCC(=O)C1 86618120 573521988 /nfs/dbraw/zinc/52/19/88/573521988.db2.gz MCQMGIGRYOGKRE-RKDXNWHRSA-N 1 1 180.251 1.199 10 30 ADEEMO C[C@H](C#N)C[N@@H+](C)[C@@H]1CCC(=O)C1 86618120 573521992 /nfs/dbraw/zinc/52/19/92/573521992.db2.gz MCQMGIGRYOGKRE-RKDXNWHRSA-N 1 1 180.251 1.199 10 30 ADEEMO C[N@H+]1CC[C@H](CC#N)[C@H]1C1CC1 259486882 573522593 /nfs/dbraw/zinc/52/25/93/573522593.db2.gz AVURVUPXAASNAU-VHSXEESVSA-N 1 1 164.252 1.630 10 30 ADEEMO C[C@@H](CC#N)[N@H+](C)[C@@H]1CCC(=O)C1 86618492 573522620 /nfs/dbraw/zinc/52/26/20/573522620.db2.gz SBISNEVCLWXSLL-DTWKUNHWSA-N 1 1 180.251 1.342 10 30 ADEEMO C[C@@H](CC#N)[N@@H+](C)[C@@H]1CCC(=O)C1 86618492 573522627 /nfs/dbraw/zinc/52/26/27/573522627.db2.gz SBISNEVCLWXSLL-DTWKUNHWSA-N 1 1 180.251 1.342 10 30 ADEEMO C[C@@H](C#N)C[N@H+](C)[C@@H]1CCC(=O)C1 86618121 573522746 /nfs/dbraw/zinc/52/27/46/573522746.db2.gz MCQMGIGRYOGKRE-DTWKUNHWSA-N 1 1 180.251 1.199 10 30 ADEEMO C[C@@H](C#N)C[N@@H+](C)[C@@H]1CCC(=O)C1 86618121 573522749 /nfs/dbraw/zinc/52/27/49/573522749.db2.gz MCQMGIGRYOGKRE-DTWKUNHWSA-N 1 1 180.251 1.199 10 30 ADEEMO C=CC[C@H](CC)[NH2+][C@H](C)C(=O)OCC 308606301 573522968 /nfs/dbraw/zinc/52/29/68/573522968.db2.gz PQPSJKSBLFKFBS-ZJUUUORDSA-N 1 1 199.294 1.882 10 30 ADEEMO C=CC[C@@H](CC)[NH2+][C@H](C)C(=O)OCC 308606255 573526541 /nfs/dbraw/zinc/52/65/41/573526541.db2.gz PQPSJKSBLFKFBS-NXEZZACHSA-N 1 1 199.294 1.882 10 30 ADEEMO CC(C)[NH+]1CC(n2cc(C#N)cn2)C1 257827082 573526601 /nfs/dbraw/zinc/52/66/01/573526601.db2.gz HTSRJIQQWVIHOE-UHFFFAOYSA-N 1 1 190.250 1.020 10 30 ADEEMO C[N@@H+](C/C=C\CS)CC1CC1 211640247 573527149 /nfs/dbraw/zinc/52/71/49/573527149.db2.gz YFYIBHLKHDIAMB-IHWYPQMZSA-N 1 1 171.309 1.814 10 30 ADEEMO C=C[C@@H](C)[NH2+][C@@H](C)c1cn(CC)nn1 715885393 573544382 /nfs/dbraw/zinc/54/43/82/573544382.db2.gz SCDYALGQMIQOJG-BDAKNGLRSA-N 1 1 194.282 1.523 10 30 ADEEMO C=C(CC=O)[C@@H]1CC[N@H+](CC)C1 258061238 573556486 /nfs/dbraw/zinc/55/64/86/573556486.db2.gz DUHUIRZJOYODBF-SNVBAGLBSA-N 1 1 167.252 1.473 10 30 ADEEMO CO[C@@]1(CC=O)CCC[N@H+](C2CC2)C1 257830124 573555780 /nfs/dbraw/zinc/55/57/80/573555780.db2.gz IWTQYJIWDWPEIH-LLVKDONJSA-N 1 1 197.278 1.219 10 30 ADEEMO C=CCCC[C@@H](C)[NH2+][C@H](C)C(=O)OC 308624079 573567631 /nfs/dbraw/zinc/56/76/31/573567631.db2.gz VGGISTRLJQPDPY-NXEZZACHSA-N 1 1 199.294 1.882 10 30 ADEEMO C=CCCC[C@H](C)[NH2+][C@H](C)C(=O)OC 308624081 573567112 /nfs/dbraw/zinc/56/71/12/573567112.db2.gz VGGISTRLJQPDPY-VHSXEESVSA-N 1 1 199.294 1.882 10 30 ADEEMO CC(C)C[N@H+]1CC[C@@H](C#N)[C@@H]1C 259112671 573567207 /nfs/dbraw/zinc/56/72/07/573567207.db2.gz BMCXPPWASRELFC-UWVGGRQHSA-N 1 1 166.268 1.876 10 30 ADEEMO CN(CC#N)c1ccc2[nH]c[nH+]c2c1 258795693 573575514 /nfs/dbraw/zinc/57/55/14/573575514.db2.gz MTKYZYPDKQJHCA-UHFFFAOYSA-N 1 1 186.218 1.523 10 30 ADEEMO C[N@H+]1CCC[C@@H](CCC=O)CC1 107405024 573575357 /nfs/dbraw/zinc/57/53/57/573575357.db2.gz SGTQRZYYPOUOLC-JTQLQIEISA-N 1 1 169.268 1.697 10 30 ADEEMO COCC[N@H+]1CC[C@@H](CC#N)C1(C)C 259513715 573575417 /nfs/dbraw/zinc/57/54/17/573575417.db2.gz USDPFEVUBIAKHK-SNVBAGLBSA-N 1 1 196.294 1.647 10 30 ADEEMO COC1=CC(=O)C=C(C)C1=[NH2+] 238444574 573575476 /nfs/dbraw/zinc/57/54/76/573575476.db2.gz QKHBCGMMEOZVJL-UHFFFAOYSA-N 1 1 151.165 1.065 10 30 ADEEMO CC1(C)CCC[N@@H+](C[C@@H]2CO2)CC1 83680473 573589334 /nfs/dbraw/zinc/58/93/34/573589334.db2.gz SFQJCDAFPLIYTC-SNVBAGLBSA-N 1 1 183.295 1.897 10 30 ADEEMO CCN(CC)[C@H](C#N)[C@@H]1CC[N@@H+](C)C1 259519049 573589385 /nfs/dbraw/zinc/58/93/85/573589385.db2.gz ASFLCPFAFNGTIQ-GHMZBOCLSA-N 1 1 195.310 1.172 10 30 ADEEMO C#CCN(CCC)C[C@@H](C)C[NH2+]CC 130464762 573588796 /nfs/dbraw/zinc/58/87/96/573588796.db2.gz SCLDDVOUBWPTPH-LBPRGKRZSA-N 1 1 196.338 1.577 10 30 ADEEMO C=C(C)C[N@H+](C)Cc1cncnc1 308405348 573593602 /nfs/dbraw/zinc/59/36/02/573593602.db2.gz JHQSRIMJERZION-UHFFFAOYSA-N 1 1 177.251 1.485 10 30 ADEEMO N#C[C@@H]1[NH2+]CCC12CCCCC2 259522035 573593009 /nfs/dbraw/zinc/59/30/09/573593009.db2.gz DKAWCULOPBGCQB-VIFPVBQESA-N 1 1 164.252 1.822 10 30 ADEEMO C[N@H+]1CC[C@@H](CC#N)[C@H](F)C1 259521711 573593425 /nfs/dbraw/zinc/59/34/25/573593425.db2.gz AEXJWBGLZNXXQA-HTQZYQBOSA-N 1 1 156.204 1.190 10 30 ADEEMO C[N@H+]1CCC[C@@H](CC#N)C1 75526657 573597427 /nfs/dbraw/zinc/59/74/27/573597427.db2.gz DEMQRPVIHQBNGF-QMMMGPOBSA-N 1 1 138.214 1.242 10 30 ADEEMO CC(C)[C@]1(C)CC[C@H](C#N)[NH2+]1 259524535 573597487 /nfs/dbraw/zinc/59/74/87/573597487.db2.gz DRLJMXOKMXWCSX-BDAKNGLRSA-N 1 1 152.241 1.677 10 30 ADEEMO CN(C)[C@@H](CC#N)[C@@H]1CCC[N@@H+](C)C1 259522760 573597517 /nfs/dbraw/zinc/59/75/17/573597517.db2.gz MVQVTCQSELKBDG-MNOVXSKESA-N 1 1 195.310 1.172 10 30 ADEEMO C1C[C@H]2CCC[N@H+](C[C@@H]3CO3)[C@@H]2C1 83700960 573596939 /nfs/dbraw/zinc/59/69/39/573596939.db2.gz KSKLFRCSMJBVHT-HBNTYKKESA-N 1 1 181.279 1.650 10 30 ADEEMO C[N@@H+](CCS)CCc1cccnc1 258814932 573596971 /nfs/dbraw/zinc/59/69/71/573596971.db2.gz FSDWUDAIIQRVAL-UHFFFAOYSA-N 1 1 196.319 1.486 10 30 ADEEMO O=CC[N@H+]1CCC[C@@H]2CCC[C@H]21 83701686 573597096 /nfs/dbraw/zinc/59/70/96/573597096.db2.gz KXTHSQMJZPWIRT-VHSXEESVSA-N 1 1 167.252 1.450 10 30 ADEEMO C=C[C@H](C)c1noc([C@@H]([NH3+])CC)n1 308649626 573611045 /nfs/dbraw/zinc/61/10/45/573611045.db2.gz JNVIROSFOCUOTC-BQBZGAKWSA-N 1 1 181.239 1.769 10 30 ADEEMO Cc1ccc([C@H]([NH3+])C=O)c(C)c1C 259529094 573611071 /nfs/dbraw/zinc/61/10/71/573611071.db2.gz WHYZLFGOWJUCOZ-LLVKDONJSA-N 1 1 177.247 1.811 10 30 ADEEMO CC(C)[N@H+]1CCC[C@H]1CC#CC[NH3+] 258070774 573599220 /nfs/dbraw/zinc/59/92/20/573599220.db2.gz FHEYJSUFAZOJQE-LLVKDONJSA-N 1 1 180.295 1.211 10 30 ADEEMO CC[C@H](C#N)C(=O)[C@H]1CC[N@@H+](C)C1 259128189 573612977 /nfs/dbraw/zinc/61/29/77/573612977.db2.gz MHKMCVFPRGJAQY-BDAKNGLRSA-N 1 1 180.251 1.057 10 30 ADEEMO C=CCNC[C@@H](C)[N@H+](C)CCC1CC1 308641963 573613936 /nfs/dbraw/zinc/61/39/36/573613936.db2.gz FEJBATRCISYLFZ-LLVKDONJSA-N 1 1 196.338 1.882 10 30 ADEEMO C=CCNC[C@@H](C)[N@@H+](C)CCC1CC1 308641963 573613942 /nfs/dbraw/zinc/61/39/42/573613942.db2.gz FEJBATRCISYLFZ-LLVKDONJSA-N 1 1 196.338 1.882 10 30 ADEEMO C[N@@H+]1C[C@H](C#N)[C@H](O)C[C@H]1C(C)(C)C 259529602 573613966 /nfs/dbraw/zinc/61/39/66/573613966.db2.gz FEXVPQPFNHBQPX-AEJSXWLSSA-N 1 1 196.294 1.237 10 30 ADEEMO C[N@H+]1C[C@H](C#N)[C@H](O)C[C@H]1C(C)(C)C 259529602 573613969 /nfs/dbraw/zinc/61/39/69/573613969.db2.gz FEXVPQPFNHBQPX-AEJSXWLSSA-N 1 1 196.294 1.237 10 30 ADEEMO Cc1cc(N)cc([C@H]([NH3+])CC#N)c1 238448741 573614429 /nfs/dbraw/zinc/61/44/29/573614429.db2.gz FMPQKWCMGBISLA-SNVBAGLBSA-N 1 1 175.235 1.491 10 30 ADEEMO C#C[C@H](CCC)N[C@@H]1CC[NH2+]C[C@@H]1C 308643078 573614443 /nfs/dbraw/zinc/61/44/43/573614443.db2.gz FCLKJNJQUQMARH-QJPTWQEYSA-N 1 1 194.322 1.376 10 30 ADEEMO CC[C@]1(C)COCC[N@@H+]1C(C)(C)C=O 687962865 573614479 /nfs/dbraw/zinc/61/44/79/573614479.db2.gz JONSADGGKQYXDQ-LLVKDONJSA-N 1 1 199.294 1.465 10 30 ADEEMO CC[C@]1(C)COCC[N@H+]1C(C)(C)C=O 687962865 573614486 /nfs/dbraw/zinc/61/44/86/573614486.db2.gz JONSADGGKQYXDQ-LLVKDONJSA-N 1 1 199.294 1.465 10 30 ADEEMO C#C[C@H](CCC)N[C@H]1CC[NH2+]C[C@H]1C 308643080 573616424 /nfs/dbraw/zinc/61/64/24/573616424.db2.gz FCLKJNJQUQMARH-UTUOFQBUSA-N 1 1 194.322 1.376 10 30 ADEEMO C[N@H+]1CCC[C@@H](C#N)C1(C)C 259530489 573615695 /nfs/dbraw/zinc/61/56/95/573615695.db2.gz VWFQIEATHLXZRP-QMMMGPOBSA-N 1 1 152.241 1.630 10 30 ADEEMO C=CC[N@H+](CCO)[C@H]1CCC[C@H]1OC 308642364 573615958 /nfs/dbraw/zinc/61/59/58/573615958.db2.gz DTMMPRAEDNODCK-WDEREUQCSA-N 1 1 199.294 1.034 10 30 ADEEMO N#C[C@H]1CCC[N@H+](C2CC2)CC1 107456709 573616110 /nfs/dbraw/zinc/61/61/10/573616110.db2.gz NMEBCLSLHLTAPJ-VIFPVBQESA-N 1 1 164.252 1.774 10 30 ADEEMO C=CC[N@H+](CCO)[C@H]1CCC[C@@H]1OC 308642363 573616566 /nfs/dbraw/zinc/61/65/66/573616566.db2.gz DTMMPRAEDNODCK-QWRGUYRKSA-N 1 1 199.294 1.034 10 30 ADEEMO C[NH2+][C@H](C=O)c1coc2ccccc12 259131632 573617109 /nfs/dbraw/zinc/61/71/09/573617109.db2.gz BPWOPNLVZMIDBO-SNVBAGLBSA-N 1 1 189.214 1.892 10 30 ADEEMO CC(C)C[N@@H+](CCC#N)CC[C@@H]1CO1 308643428 573617215 /nfs/dbraw/zinc/61/72/15/573617215.db2.gz FJXPHDRSHHNKLS-LLVKDONJSA-N 1 1 196.294 1.647 10 30 ADEEMO C=CC[NH+]1[C@@H](C)CC(=O)C[C@@H]1C 238452802 573621910 /nfs/dbraw/zinc/62/19/10/573621910.db2.gz KPRXIOSILLYHTP-IUCAKERBSA-N 1 1 167.252 1.614 10 30 ADEEMO CC[C@H](CC#N)N[C@H]1C[C@H](C)[N@@H+](C)C1 126677897 573625263 /nfs/dbraw/zinc/62/52/63/573625263.db2.gz DUHUTPZCMNOMNZ-AXFHLTTASA-N 1 1 195.310 1.361 10 30 ADEEMO CC[C@H](CC#N)[NH2+][C@H]1C[C@H](C)N(C)C1 126677897 573625267 /nfs/dbraw/zinc/62/52/67/573625267.db2.gz DUHUTPZCMNOMNZ-AXFHLTTASA-N 1 1 195.310 1.361 10 30 ADEEMO N#CC[C@@H]1CC[N@H+](C2CCOCC2)C1 107463409 573627108 /nfs/dbraw/zinc/62/71/08/573627108.db2.gz IXNAVVJJFLVHIV-SNVBAGLBSA-N 1 1 194.278 1.401 10 30 ADEEMO CC(C)[N@H+]1CC[C@@H]([C@@H](O)CS)C1 258072278 573627568 /nfs/dbraw/zinc/62/75/68/573627568.db2.gz IUROKLAELBWTOB-BDAKNGLRSA-N 1 1 189.324 1.007 10 30 ADEEMO C[NH2+][C@H](S)c1cccc(OC)c1 259534876 573628363 /nfs/dbraw/zinc/62/83/63/573628363.db2.gz UVMIULYXXCYEAN-SECBINFHSA-N 1 1 183.276 1.843 10 30 ADEEMO C[N@H+]1CC[C@H](C#N)C1(C)C 259532630 573628642 /nfs/dbraw/zinc/62/86/42/573628642.db2.gz WAAUPVSTAQILNQ-SSDOTTSWSA-N 1 1 138.214 1.240 10 30 ADEEMO CC(C)[N@H+]1CC[C@H]([C@H](O)CS)C1 258072281 573630202 /nfs/dbraw/zinc/63/02/02/573630202.db2.gz IUROKLAELBWTOB-DTWKUNHWSA-N 1 1 189.324 1.007 10 30 ADEEMO C[NH2+][C@@H](C=O)c1ccccc1OC 259143341 573631641 /nfs/dbraw/zinc/63/16/41/573631641.db2.gz CFAFARKZFIDBGO-VIFPVBQESA-N 1 1 179.219 1.155 10 30 ADEEMO CC(C)[N@H+]1CC[C@@H](/C=C\CC=O)C1 258073691 573631779 /nfs/dbraw/zinc/63/17/79/573631779.db2.gz FMPVDAXLFQHFBH-USEMIUTHSA-N 1 1 181.279 1.862 10 30 ADEEMO CC(C)[N@H+]1CC[C@@H]([C@H](O)CS)C1 258074298 573631820 /nfs/dbraw/zinc/63/18/20/573631820.db2.gz IUROKLAELBWTOB-RKDXNWHRSA-N 1 1 189.324 1.007 10 30 ADEEMO C[C@H](S)[C@H]1CC[N@@H+](C)C1 259143789 573631824 /nfs/dbraw/zinc/63/18/24/573631824.db2.gz HXUAZJJBSUGJMZ-BQBZGAKWSA-N 1 1 145.271 1.256 10 30 ADEEMO CCCNC(=[NH+]N)c1cscc1C 86816917 573634452 /nfs/dbraw/zinc/63/44/52/573634452.db2.gz BBYKTQOJIFAHQV-UHFFFAOYSA-N 1 1 197.307 1.676 10 30 ADEEMO COC(=O)C#C[C@H]1CCC[N@H+]1C(C)C 258073732 573634488 /nfs/dbraw/zinc/63/44/88/573634488.db2.gz FNAYQTSTZHNEQW-SNVBAGLBSA-N 1 1 195.262 1.036 10 30 ADEEMO C#CC[N@H+](C)C[C@@H]1C[C@H](C)O[C@@H]1C 686345385 573634723 /nfs/dbraw/zinc/63/47/23/573634723.db2.gz DJQARFQBZXJDSD-AXFHLTTASA-N 1 1 181.279 1.365 10 30 ADEEMO C[N@H+]1CCC[C@@H]2C[C@@H](C#N)C[C@@H]21 259536212 573634942 /nfs/dbraw/zinc/63/49/42/573634942.db2.gz FVHUSKFRVCHCJY-BBBLOLIVSA-N 1 1 164.252 1.630 10 30 ADEEMO C[N@H+]1CCC[C@@H]2C[C@H](C#N)C[C@@H]21 259536209 573636554 /nfs/dbraw/zinc/63/65/54/573636554.db2.gz FVHUSKFRVCHCJY-AEJSXWLSSA-N 1 1 164.252 1.630 10 30 ADEEMO CC(C)[N@H+]1CC[C@H](/C=C\CC=O)C1 258073688 573635986 /nfs/dbraw/zinc/63/59/86/573635986.db2.gz FMPVDAXLFQHFBH-MZBZXASESA-N 1 1 181.279 1.862 10 30 ADEEMO CC[N@H+]1CCCC[C@H](C=O)C1 211971069 573636054 /nfs/dbraw/zinc/63/60/54/573636054.db2.gz ZUIBPDDJJWMARA-VIFPVBQESA-N 1 1 155.241 1.307 10 30 ADEEMO C#CC[N@H+](C)C[C@@H]1C[C@@H](C)O[C@@H]1C 686345389 573636229 /nfs/dbraw/zinc/63/62/29/573636229.db2.gz DJQARFQBZXJDSD-MXWKQRLJSA-N 1 1 181.279 1.365 10 30 ADEEMO Cc1[nH]c2ccccc2c1[C@H]([NH3+])C=O 259144502 573636429 /nfs/dbraw/zinc/63/64/29/573636429.db2.gz CXTVTSYLVUEURJ-SECBINFHSA-N 1 1 188.230 1.675 10 30 ADEEMO C[N@H+]1CCC[C@@H]2C[C@H](C#N)C[C@H]21 259536215 573637217 /nfs/dbraw/zinc/63/72/17/573637217.db2.gz FVHUSKFRVCHCJY-IVZWLZJFSA-N 1 1 164.252 1.630 10 30 ADEEMO Cc1ccc([C@@H]([NH3+])C=O)cc1 259147140 573637427 /nfs/dbraw/zinc/63/74/27/573637427.db2.gz CZJGPAHJQBRACU-VIFPVBQESA-N 1 1 149.193 1.194 10 30 ADEEMO C[N@@H+](CC[C@H]1CO1)C[C@H]1CCCOC1 308651621 573637453 /nfs/dbraw/zinc/63/74/53/573637453.db2.gz KNUCZAPXMMFJDG-MNOVXSKESA-N 1 1 199.294 1.134 10 30 ADEEMO C[N@@H+](CC[C@H]1CO1)C[C@@H]1CCCOC1 308651622 573640224 /nfs/dbraw/zinc/64/02/24/573640224.db2.gz KNUCZAPXMMFJDG-QWRGUYRKSA-N 1 1 199.294 1.134 10 30 ADEEMO C#CCNCC[N@H+](CC)CC(C)(C)C 308651209 573640523 /nfs/dbraw/zinc/64/05/23/573640523.db2.gz KFEOIALLJZGLJP-UHFFFAOYSA-N 1 1 196.338 1.577 10 30 ADEEMO C#CC[NH2+]CCN(CC)CC(C)(C)C 308651209 573640530 /nfs/dbraw/zinc/64/05/30/573640530.db2.gz KFEOIALLJZGLJP-UHFFFAOYSA-N 1 1 196.338 1.577 10 30 ADEEMO C[C@@H]([C@H](C)CC#N)N1CC[NH+](C)CC1 259537231 573640636 /nfs/dbraw/zinc/64/06/36/573640636.db2.gz CGBABICSIUBWHF-MNOVXSKESA-N 1 1 195.310 1.172 10 30 ADEEMO Cc1[nH]c2ccccc2c1[C@@H]([NH3+])C=O 259144508 573640739 /nfs/dbraw/zinc/64/07/39/573640739.db2.gz CXTVTSYLVUEURJ-VIFPVBQESA-N 1 1 188.230 1.675 10 30 ADEEMO Cn1c[nH+]c2cc(NCC=O)ccc21 258827352 573640744 /nfs/dbraw/zinc/64/07/44/573640744.db2.gz GUQNPWXLDIVXFK-UHFFFAOYSA-N 1 1 189.218 1.184 10 30 ADEEMO Cc1ccc(CC[N@@H+](C)CCS)o1 258829992 573643581 /nfs/dbraw/zinc/64/35/81/573643581.db2.gz GYYSJTAGVYCING-UHFFFAOYSA-N 1 1 199.319 1.992 10 30 ADEEMO CC[C@H](C)[C@@H](C#N)N1CC[NH+](C)CC1 83804615 573643078 /nfs/dbraw/zinc/64/30/78/573643078.db2.gz PJMGEMPVNFMQOT-WDEREUQCSA-N 1 1 195.310 1.172 10 30 ADEEMO C[NH+]1CCC(C#N)(c2ccno2)CC1 259537145 573643102 /nfs/dbraw/zinc/64/31/02/573643102.db2.gz CFBCHXCPLQDEHQ-UHFFFAOYSA-N 1 1 191.234 1.162 10 30 ADEEMO COc1cc(C#N)c(O)c([C@@H](C)[NH3+])c1 238463603 573643270 /nfs/dbraw/zinc/64/32/70/573643270.db2.gz RYUFPWYLTCMTPD-ZCFIWIBFSA-N 1 1 192.218 1.292 10 30 ADEEMO CCC[C@@](C)(C#N)N1CC[NH+](C)CC1 83804609 573643331 /nfs/dbraw/zinc/64/33/31/573643331.db2.gz JMMHGQBGZJDDNL-NSHDSACASA-N 1 1 195.310 1.316 10 30 ADEEMO COC[C@@H]1CCC[N@@H+](CC[C@@H]2CO2)C1 308655255 573643407 /nfs/dbraw/zinc/64/34/07/573643407.db2.gz NEVYTUCNIWYYCY-GHMZBOCLSA-N 1 1 199.294 1.134 10 30 ADEEMO C[N@H+](CC(=O)CC#N)C1CCCC1 259149739 573647122 /nfs/dbraw/zinc/64/71/22/573647122.db2.gz FOTKZVJKJRUMNO-UHFFFAOYSA-N 1 1 180.251 1.344 10 30 ADEEMO C[N@@H+](CC(=O)CC#N)C1CCCC1 259149739 573647123 /nfs/dbraw/zinc/64/71/23/573647123.db2.gz FOTKZVJKJRUMNO-UHFFFAOYSA-N 1 1 180.251 1.344 10 30 ADEEMO C#CC[C@@H](CC)[NH2+][C@@H](C)CCN(C)C 393667637 573651446 /nfs/dbraw/zinc/65/14/46/573651446.db2.gz NTAIETVLZRUMIF-NWDGAFQWSA-N 1 1 196.338 1.718 10 30 ADEEMO C=CC[N@@H+]1C[C@@H](CCO)CC1(C)C 259543717 573651468 /nfs/dbraw/zinc/65/14/68/573651468.db2.gz WVDQARZSCYFWBW-JTQLQIEISA-N 1 1 183.295 1.655 10 30 ADEEMO C[C@]1(C=O)CC[N@@H+]1Cc1ccccc1 238466684 573651477 /nfs/dbraw/zinc/65/14/77/573651477.db2.gz NCMTVSSRWZDNQT-GFCCVEGCSA-N 1 1 189.258 1.850 10 30 ADEEMO C[C@]1(C=O)CC[N@H+]1Cc1ccccc1 238466684 573651486 /nfs/dbraw/zinc/65/14/86/573651486.db2.gz NCMTVSSRWZDNQT-GFCCVEGCSA-N 1 1 189.258 1.850 10 30 ADEEMO CCc1oc2c(c1C#N)CC[N@@H+](C)C2 259542236 573651818 /nfs/dbraw/zinc/65/18/18/573651818.db2.gz CQQSCOJORIQBRR-UHFFFAOYSA-N 1 1 190.246 1.702 10 30 ADEEMO CCc1oc2c(c1C#N)CC[N@H+](C)C2 259542236 573651824 /nfs/dbraw/zinc/65/18/24/573651824.db2.gz CQQSCOJORIQBRR-UHFFFAOYSA-N 1 1 190.246 1.702 10 30 ADEEMO CN(CS)c1ccc2[nH]c[nH+]c2c1 258842368 573652004 /nfs/dbraw/zinc/65/20/04/573652004.db2.gz CKOYJCBORPVWMX-UHFFFAOYSA-N 1 1 193.275 1.886 10 30 ADEEMO COCC[N@H+]1C[C@@H](C#N)CC1(C)C 259541988 573654842 /nfs/dbraw/zinc/65/48/42/573654842.db2.gz WRDLKCPEKIZKDF-SECBINFHSA-N 1 1 182.267 1.257 10 30 ADEEMO C#CC[C@@H]([NH3+])c1nnc([C@H](C)S)o1 238471029 573655084 /nfs/dbraw/zinc/65/50/84/573655084.db2.gz UVOWYBJGDHFDMZ-NTSWFWBYSA-N 1 1 197.263 1.084 10 30 ADEEMO C[N@H+](CCC(C)(C)C)CC(=O)CC#N 259152099 573655144 /nfs/dbraw/zinc/65/51/44/573655144.db2.gz FTDICHLRUCZIEZ-UHFFFAOYSA-N 1 1 196.294 1.837 10 30 ADEEMO C[N@@H+](CCC(C)(C)C)CC(=O)CC#N 259152099 573655150 /nfs/dbraw/zinc/65/51/50/573655150.db2.gz FTDICHLRUCZIEZ-UHFFFAOYSA-N 1 1 196.294 1.837 10 30 ADEEMO COc1ccc(C)cc1C[NH2+]CC=O 258838382 573655175 /nfs/dbraw/zinc/65/51/75/573655175.db2.gz HRGMUYAOXBCURP-UHFFFAOYSA-N 1 1 193.246 1.292 10 30 ADEEMO C=C(CC(=O)OC)[C@@H]1CCC[N@@H+]1CC 258080822 573655373 /nfs/dbraw/zinc/65/53/73/573655373.db2.gz FUHVTWZLHRCRMR-JTQLQIEISA-N 1 1 197.278 1.590 10 30 ADEEMO C[NH2+][C@H](c1ccc[nH]1)C1(C#N)CCC1 259544953 573657516 /nfs/dbraw/zinc/65/75/16/573657516.db2.gz VMNFPLIVLYXEKD-SNVBAGLBSA-N 1 1 189.262 1.969 10 30 ADEEMO Cc1[nH+]c(CC2CC2)[nH]c1CC#N 259544968 573657719 /nfs/dbraw/zinc/65/77/19/573657719.db2.gz BDRPTQXHXDHGFW-UHFFFAOYSA-N 1 1 175.235 1.737 10 30 ADEEMO CC[N@H+]1CCC[C@H](CC#CCO)C1 258080883 573657762 /nfs/dbraw/zinc/65/77/62/573657762.db2.gz FVBDMWXHDLMTLW-NSHDSACASA-N 1 1 181.279 1.104 10 30 ADEEMO C[N@@H+](CCCC#N)Cc1cc[nH]c1 258853339 573658640 /nfs/dbraw/zinc/65/86/40/573658640.db2.gz DQWDDYLZQMYMOB-UHFFFAOYSA-N 1 1 177.251 1.750 10 30 ADEEMO CC(C)[N@@H+](C)CS 258851177 573659524 /nfs/dbraw/zinc/65/95/24/573659524.db2.gz DKZGWNVWFDEBCX-UHFFFAOYSA-N 1 1 119.233 1.214 10 30 ADEEMO Cc1cc(CC[NH2+][C@H](C)CC#N)on1 308665711 573662821 /nfs/dbraw/zinc/66/28/21/573662821.db2.gz SHXRJCIEHKYOHQ-MRVPVSSYSA-N 1 1 193.250 1.417 10 30 ADEEMO Cc1ccc(CO)c([C@@H]([NH3+])CC#N)c1 238472057 573662992 /nfs/dbraw/zinc/66/29/92/573662992.db2.gz WFAIMCKACBUFDC-NSHDSACASA-N 1 1 190.246 1.401 10 30 ADEEMO C[NH2+][C@@H](c1ccc[nH]1)C1(C#N)CCC1 259544947 573663133 /nfs/dbraw/zinc/66/31/33/573663133.db2.gz VMNFPLIVLYXEKD-JTQLQIEISA-N 1 1 189.262 1.969 10 30 ADEEMO Cc1ccc(CO)c([C@H]([NH3+])CC#N)c1 238472318 573663202 /nfs/dbraw/zinc/66/32/02/573663202.db2.gz WFAIMCKACBUFDC-LLVKDONJSA-N 1 1 190.246 1.401 10 30 ADEEMO CC(C)CC[N@@H+](C)CS 258865279 573663390 /nfs/dbraw/zinc/66/33/90/573663390.db2.gz FYGWIWGFIPTYGB-UHFFFAOYSA-N 1 1 147.287 1.852 10 30 ADEEMO Cc1cc2c(cc1C)[C@H](C=O)[NH2+]CC2 75646178 573665157 /nfs/dbraw/zinc/66/51/57/573665157.db2.gz UBALXVZKUDNMAA-LBPRGKRZSA-N 1 1 189.258 1.689 10 30 ADEEMO C=CC[C@@H](C)[NH2+]CCc1n[nH]c(C)n1 308663956 573665264 /nfs/dbraw/zinc/66/52/64/573665264.db2.gz RJEGLERGTWUDRR-MRVPVSSYSA-N 1 1 194.282 1.210 10 30 ADEEMO C=CC[C@@H](C)[NH2+]CCc1nnc(C)[nH]1 308663956 573665273 /nfs/dbraw/zinc/66/52/73/573665273.db2.gz RJEGLERGTWUDRR-MRVPVSSYSA-N 1 1 194.282 1.210 10 30 ADEEMO C[C@@]1(C#N)CC[C@H]2CCC[N@@H+]21 238476424 573665467 /nfs/dbraw/zinc/66/54/67/573665467.db2.gz SLIFDAOEPBSZAV-BDAKNGLRSA-N 1 1 150.225 1.527 10 30 ADEEMO C[C@@]1(C#N)CC[C@H]2CCC[N@H+]21 238476424 573665473 /nfs/dbraw/zinc/66/54/73/573665473.db2.gz SLIFDAOEPBSZAV-BDAKNGLRSA-N 1 1 150.225 1.527 10 30 ADEEMO CCCOCC[N@H+]1CCC[C@H](C=O)C1 233233890 573665499 /nfs/dbraw/zinc/66/54/99/573665499.db2.gz ARGPYURQMTXMDN-NSHDSACASA-N 1 1 199.294 1.324 10 30 ADEEMO Cc1ccc2c(c1C)[C@H](C=O)[NH2+]CC2 75646172 573665734 /nfs/dbraw/zinc/66/57/34/573665734.db2.gz NXNSEIYLYWFUPN-NSHDSACASA-N 1 1 189.258 1.689 10 30 ADEEMO C[C@@]1(C#N)CC[C@@H]2CCC[N@@H+]21 238476407 573665788 /nfs/dbraw/zinc/66/57/88/573665788.db2.gz SLIFDAOEPBSZAV-IUCAKERBSA-N 1 1 150.225 1.527 10 30 ADEEMO C[C@@]1(C#N)CC[C@@H]2CCC[N@H+]21 238476407 573665794 /nfs/dbraw/zinc/66/57/94/573665794.db2.gz SLIFDAOEPBSZAV-IUCAKERBSA-N 1 1 150.225 1.527 10 30 ADEEMO Cc1cc2c(cc1C)[C@@H](C=O)[NH2+]CC2 75646180 573667071 /nfs/dbraw/zinc/66/70/71/573667071.db2.gz UBALXVZKUDNMAA-GFCCVEGCSA-N 1 1 189.258 1.689 10 30 ADEEMO Cc1ccc2c(c1C)[C@@H](C=O)[NH2+]CC2 75646175 573667134 /nfs/dbraw/zinc/66/71/34/573667134.db2.gz NXNSEIYLYWFUPN-LLVKDONJSA-N 1 1 189.258 1.689 10 30 ADEEMO CC(C)[N@H+]1CC[C@H](C(F)(F)C=O)C1 257846634 573667256 /nfs/dbraw/zinc/66/72/56/573667256.db2.gz NURDCZGPMQBBGS-QMMMGPOBSA-N 1 1 191.221 1.551 10 30 ADEEMO C[C@@H]1[C@@H](CC#N)CC[N@H+]1C1CC1 259546519 573667311 /nfs/dbraw/zinc/66/73/11/573667311.db2.gz BFXZZNSVJWQYHF-BDAKNGLRSA-N 1 1 164.252 1.773 10 30 ADEEMO Cc1ccc(C)c2c1CC[NH2+][C@@H]2C=O 75649127 573667377 /nfs/dbraw/zinc/66/73/77/573667377.db2.gz YAQUSEINWLFLSO-LLVKDONJSA-N 1 1 189.258 1.689 10 30 ADEEMO CCC[N@@H+](C)C[C@@H](C#N)CC 258862518 573667841 /nfs/dbraw/zinc/66/78/41/573667841.db2.gz AQBQWXPISMUAPD-SECBINFHSA-N 1 1 154.257 1.878 10 30 ADEEMO C[N@H+]1CCC[C@H](n2nccc2C#N)C1 257844482 573667951 /nfs/dbraw/zinc/66/79/51/573667951.db2.gz NHBOWOOZOROFJJ-JTQLQIEISA-N 1 1 190.250 1.021 10 30 ADEEMO Cc1ccccc1CC[N@@H+](C)CC=O 258855327 573668046 /nfs/dbraw/zinc/66/80/46/573668046.db2.gz JJWWFEWPDGDSQO-UHFFFAOYSA-N 1 1 191.274 1.668 10 30 ADEEMO Cc1ccccc1CC[N@H+](C)CC=O 258855327 573668053 /nfs/dbraw/zinc/66/80/53/573668053.db2.gz JJWWFEWPDGDSQO-UHFFFAOYSA-N 1 1 191.274 1.668 10 30 ADEEMO C=C(CO)C[C@@H]1CCC[N@H+](CC)C1 258076217 573676189 /nfs/dbraw/zinc/67/61/89/573676189.db2.gz FPBAHDKUIAKULN-NSHDSACASA-N 1 1 183.295 1.657 10 30 ADEEMO C#CC[N@H+](CC1CC1)[C@H](CN)C(C)C 130815686 573675863 /nfs/dbraw/zinc/67/58/63/573675863.db2.gz ZZFUHEHNFFQTFN-GFCCVEGCSA-N 1 1 194.322 1.315 10 30 ADEEMO C#CC[N@@H+](CC1CC1)[C@H](CN)C(C)C 130815686 573675867 /nfs/dbraw/zinc/67/58/67/573675867.db2.gz ZZFUHEHNFFQTFN-GFCCVEGCSA-N 1 1 194.322 1.315 10 30 ADEEMO CC[N@H+](CC1COC1)C[C@H](C)C#N 308414372 573676135 /nfs/dbraw/zinc/67/61/35/573676135.db2.gz MRRFGFGHLBLTKA-SECBINFHSA-N 1 1 182.267 1.114 10 30 ADEEMO Cc1cc2c(cc1F)[C@@H](C=O)[NH2+]CC2 75712489 573678548 /nfs/dbraw/zinc/67/85/48/573678548.db2.gz VWUFMRRMDZXQIU-LLVKDONJSA-N 1 1 193.221 1.520 10 30 ADEEMO C#CCC[N@@H+]1CCCC[C@H]1CN(C)C 308414516 573678628 /nfs/dbraw/zinc/67/86/28/573678628.db2.gz JLHLBZDPWCNTNL-LBPRGKRZSA-N 1 1 194.322 1.426 10 30 ADEEMO C#CCCN1CCCC[C@H]1C[NH+](C)C 308414516 573678636 /nfs/dbraw/zinc/67/86/36/573678636.db2.gz JLHLBZDPWCNTNL-LBPRGKRZSA-N 1 1 194.322 1.426 10 30 ADEEMO Cc1ccc2c(c1O)CC[NH2+][C@H]2C=O 75687197 573678739 /nfs/dbraw/zinc/67/87/39/573678739.db2.gz GJKLDPMKXBWJCN-JTQLQIEISA-N 1 1 191.230 1.086 10 30 ADEEMO COc1ccc(C[NH2+]CS)cc1C 258875636 573678776 /nfs/dbraw/zinc/67/87/76/573678776.db2.gz HEVNFCDRJDATAE-UHFFFAOYSA-N 1 1 197.303 1.981 10 30 ADEEMO Cc1cc2c(cc1F)[C@H](C=O)[NH2+]CC2 75712487 573678848 /nfs/dbraw/zinc/67/88/48/573678848.db2.gz VWUFMRRMDZXQIU-NSHDSACASA-N 1 1 193.221 1.520 10 30 ADEEMO COc1c(C)cc([C@H]([NH3+])C=O)cc1C 259549931 573679051 /nfs/dbraw/zinc/67/90/51/573679051.db2.gz XKOVOORPUMFRIA-SNVBAGLBSA-N 1 1 193.246 1.511 10 30 ADEEMO C[N@H+]1CCO[C@@H]2CC[C@@H](CC#N)C[C@H]21 259548563 573679092 /nfs/dbraw/zinc/67/90/92/573679092.db2.gz DDQWIRAETVIWKF-HBNTYKKESA-N 1 1 194.278 1.399 10 30 ADEEMO Cc1c(F)ccc2c1[C@H](C=O)[NH2+]CC2 75712482 573679109 /nfs/dbraw/zinc/67/91/09/573679109.db2.gz HFUOXKHTFBKTDZ-JTQLQIEISA-N 1 1 193.221 1.520 10 30 ADEEMO Cc1ccc2c(c1C)CC[NH2+][C@@H]2C=O 75703440 573679195 /nfs/dbraw/zinc/67/91/95/573679195.db2.gz GJKVTETWALANHQ-GFCCVEGCSA-N 1 1 189.258 1.689 10 30 ADEEMO C[N@H+]1CC[C@@H](F)[C@@H](C#N)CC1 259551646 573681851 /nfs/dbraw/zinc/68/18/51/573681851.db2.gz BVZSFWWRBWBTDW-HTQZYQBOSA-N 1 1 156.204 1.190 10 30 ADEEMO C#CCN(C)[C@@H](C)[C@@H](C)C[NH2+]CCC 130836857 573681865 /nfs/dbraw/zinc/68/18/65/573681865.db2.gz ZEIDPJHTCMRFQJ-RYUDHWBXSA-N 1 1 196.338 1.576 10 30 ADEEMO Cc1ccc(C[NH2+]C[C@@H](C)C#N)n1C 308672506 573685601 /nfs/dbraw/zinc/68/56/01/573685601.db2.gz VKLOYNSZJWWSCD-VIFPVBQESA-N 1 1 191.278 1.583 10 30 ADEEMO C[N@@H+](CCS)CCc1ccc[nH]1 258880055 573685835 /nfs/dbraw/zinc/68/58/35/573685835.db2.gz LVLWZUBKVIMCGH-UHFFFAOYSA-N 1 1 184.308 1.419 10 30 ADEEMO C=CC[NH2+][C@@H](C)c1nnc(C(C)C)[nH]1 308672489 573686069 /nfs/dbraw/zinc/68/60/69/573686069.db2.gz VJWFLGHFRPAVIY-QMMMGPOBSA-N 1 1 194.282 1.765 10 30 ADEEMO CSCC[N@H+]1CCC[C@H](C=O)C1 130851733 573687874 /nfs/dbraw/zinc/68/78/74/573687874.db2.gz HZNTVXHBBKNVDR-VIFPVBQESA-N 1 1 187.308 1.260 10 30 ADEEMO O=C[C@H]1CCC[N@@H+](CC2CCC2)C1 83841958 573687325 /nfs/dbraw/zinc/68/73/25/573687325.db2.gz IWWWIVCZTMASAG-NSHDSACASA-N 1 1 181.279 1.697 10 30 ADEEMO C=CC[C@H](C)[N@H+](C)[C@H]1CCCNC1 714996282 573690528 /nfs/dbraw/zinc/69/05/28/573690528.db2.gz PCUQVEMZPRFIHV-QWRGUYRKSA-N 1 1 182.311 1.635 10 30 ADEEMO C=CC[C@H](C)[N@@H+](C)[C@H]1CCCNC1 714996282 573690535 /nfs/dbraw/zinc/69/05/35/573690535.db2.gz PCUQVEMZPRFIHV-QWRGUYRKSA-N 1 1 182.311 1.635 10 30 ADEEMO Cc1cc(F)cc2c1CC[NH2+][C@H]2C=O 75737597 573690588 /nfs/dbraw/zinc/69/05/88/573690588.db2.gz DIFCWKUKGQCATC-NSHDSACASA-N 1 1 193.221 1.520 10 30 ADEEMO COC[C@@H](C)C[N@@H+](C)CCCCC#N 393549450 573690729 /nfs/dbraw/zinc/69/07/29/573690729.db2.gz UHKFUNXZBBZIPV-NSHDSACASA-N 1 1 198.310 1.895 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CCN[C@H](C)[C@H]1C 714996203 573690967 /nfs/dbraw/zinc/69/09/67/573690967.db2.gz OKJBLWMDBAJXQL-HBNTYKKESA-N 1 1 182.311 1.633 10 30 ADEEMO C=CC[C@H](C)N1CC[NH2+][C@H](C)[C@H]1C 714996203 573690969 /nfs/dbraw/zinc/69/09/69/573690969.db2.gz OKJBLWMDBAJXQL-HBNTYKKESA-N 1 1 182.311 1.633 10 30 ADEEMO C[N@@H+](CCC(F)(F)F)C[C@H]1CO1 83879583 573692393 /nfs/dbraw/zinc/69/23/93/573692393.db2.gz IOFXUAQVLGOBEH-LURJTMIESA-N 1 1 183.173 1.269 10 30 ADEEMO C=C(C)C[N@H+](C)Cc1cnc(N)s1 308418690 573692445 /nfs/dbraw/zinc/69/24/45/573692445.db2.gz OACJQBWBHVGQSC-UHFFFAOYSA-N 1 1 197.307 1.733 10 30 ADEEMO Cc1cc(C#N)cc([C@@H]([NH3+])CC#N)c1 238479873 573692011 /nfs/dbraw/zinc/69/20/11/573692011.db2.gz AVADWTUFMJSXCL-NSHDSACASA-N 1 1 185.230 1.780 10 30 ADEEMO C=CC[C@H](C)[N@@H+]1C[C@@H](N)C[C@@H](C)C1 714996419 573692024 /nfs/dbraw/zinc/69/20/24/573692024.db2.gz QRFAYNSFDQUGJF-VWYCJHECSA-N 1 1 182.311 1.620 10 30 ADEEMO C=CC[C@H](C)N1C[C@@H]([NH3+])C[C@@H](C)C1 714996419 573692030 /nfs/dbraw/zinc/69/20/30/573692030.db2.gz QRFAYNSFDQUGJF-VWYCJHECSA-N 1 1 182.311 1.620 10 30 ADEEMO C=CCO[C@@H](C)C[NH2+][C@@H](C)C(F)F 393550700 573692093 /nfs/dbraw/zinc/69/20/93/573692093.db2.gz QMIGCLYOPZSGNF-YUMQZZPRSA-N 1 1 193.237 1.821 10 30 ADEEMO C=CCO[C@H](C)C[NH2+][C@H](C)C(F)F 393550694 573692270 /nfs/dbraw/zinc/69/22/70/573692270.db2.gz QMIGCLYOPZSGNF-HTQZYQBOSA-N 1 1 193.237 1.821 10 30 ADEEMO C=CC[C@@H](C)[N@@H+](C)[C@H]1CCCNC1 714996279 573692980 /nfs/dbraw/zinc/69/29/80/573692980.db2.gz PCUQVEMZPRFIHV-MNOVXSKESA-N 1 1 182.311 1.635 10 30 ADEEMO C=C(C)C[N@@H+]1CC[C@@H](CCOC)C1 308419749 573693001 /nfs/dbraw/zinc/69/30/01/573693001.db2.gz OISUXRQZNGEXLE-NSHDSACASA-N 1 1 183.295 1.921 10 30 ADEEMO COc1ccc([C@H]([NH3+])S)c(OC)c1 259164483 573693715 /nfs/dbraw/zinc/69/37/15/573693715.db2.gz CAVNRYYNRQQGAN-SECBINFHSA-N 1 1 199.275 1.591 10 30 ADEEMO C=C[C@@H](CCN(C)C)[NH2+]CC 126805247 573693158 /nfs/dbraw/zinc/69/31/58/573693158.db2.gz VREGEPIHZGJJMM-VIFPVBQESA-N 1 1 156.273 1.102 10 30 ADEEMO C=CCO[C@@H](C)C[NH2+][C@H](C)C(F)F 393550696 573693171 /nfs/dbraw/zinc/69/31/71/573693171.db2.gz QMIGCLYOPZSGNF-JGVFFNPUSA-N 1 1 193.237 1.821 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CCN[C@H](C)[C@@H]1C 714996198 573693369 /nfs/dbraw/zinc/69/33/69/573693369.db2.gz OKJBLWMDBAJXQL-AXFHLTTASA-N 1 1 182.311 1.633 10 30 ADEEMO C=CC[C@H](C)N1CC[NH2+][C@H](C)[C@@H]1C 714996198 573693374 /nfs/dbraw/zinc/69/33/74/573693374.db2.gz OKJBLWMDBAJXQL-AXFHLTTASA-N 1 1 182.311 1.633 10 30 ADEEMO C=CC[C@H](C)[N@H+](C)[C@@H]1CCCNC1 714996284 573693382 /nfs/dbraw/zinc/69/33/82/573693382.db2.gz PCUQVEMZPRFIHV-WDEREUQCSA-N 1 1 182.311 1.635 10 30 ADEEMO C=CC[C@H](C)[N@@H+](C)[C@@H]1CCCNC1 714996284 573693390 /nfs/dbraw/zinc/69/33/90/573693390.db2.gz PCUQVEMZPRFIHV-WDEREUQCSA-N 1 1 182.311 1.635 10 30 ADEEMO COC[C@H](C)C[N@@H+](C)CCCCC#N 393549447 573694696 /nfs/dbraw/zinc/69/46/96/573694696.db2.gz UHKFUNXZBBZIPV-LLVKDONJSA-N 1 1 198.310 1.895 10 30 ADEEMO C[NH2+][C@@H](S)c1ccncc1 259166387 573696801 /nfs/dbraw/zinc/69/68/01/573696801.db2.gz DBLFTUXKAYMEDP-ZETCQYMHSA-N 1 1 154.238 1.229 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CCNC[C@H](C)C1 714997073 573696212 /nfs/dbraw/zinc/69/62/12/573696212.db2.gz YAAOUXMDYGTQKZ-WDEREUQCSA-N 1 1 182.311 1.492 10 30 ADEEMO C=CC[C@@H](C)N1CC[NH2+]C[C@H](C)C1 714997073 573696215 /nfs/dbraw/zinc/69/62/15/573696215.db2.gz YAAOUXMDYGTQKZ-WDEREUQCSA-N 1 1 182.311 1.492 10 30 ADEEMO CC(C)[NH+]1CC(n2nccc2C#N)C1 257851329 573696490 /nfs/dbraw/zinc/69/64/90/573696490.db2.gz PADHEWQWRKSSFJ-UHFFFAOYSA-N 1 1 190.250 1.020 10 30 ADEEMO O=C[C@H]1CCCC[N@H+]1CCC1CC1 83940013 573702530 /nfs/dbraw/zinc/70/25/30/573702530.db2.gz KBJVYEVXNPVGPD-LLVKDONJSA-N 1 1 181.279 1.840 10 30 ADEEMO CC[C@@H](N)[C@H]([NH3+])c1ccc(C#N)cc1 306690429 573702580 /nfs/dbraw/zinc/70/25/80/573702580.db2.gz PFPASHIXEOPFOV-GHMZBOCLSA-N 1 1 189.262 1.295 10 30 ADEEMO CC[N@@H+](CCO[C@@H](C)C#N)C(C)C 393552706 573702648 /nfs/dbraw/zinc/70/26/48/573702648.db2.gz DYNFZZONUPSZSG-JTQLQIEISA-N 1 1 184.283 1.645 10 30 ADEEMO CC[N@@H+](CCO[C@H](C)C#N)C(C)C 393552707 573702985 /nfs/dbraw/zinc/70/29/85/573702985.db2.gz DYNFZZONUPSZSG-SNVBAGLBSA-N 1 1 184.283 1.645 10 30 ADEEMO C=C[C@H](C)c1noc(C[NH2+]CC)n1 308688372 573706286 /nfs/dbraw/zinc/70/62/86/573706286.db2.gz CVWOBZOVEGRWDT-ZETCQYMHSA-N 1 1 181.239 1.469 10 30 ADEEMO C[C@H]1C[N@@H+](C)[C@H](C)C[C@]12O[C@@H]2C#N 238490546 573711237 /nfs/dbraw/zinc/71/12/37/573711237.db2.gz KEIZCJFJWKOEJV-JLIMGVALSA-N 1 1 180.251 1.008 10 30 ADEEMO C#CC[N@H+](CCC)[C@@H](C)[C@@H](C)C[NH2+]C 130950538 573713568 /nfs/dbraw/zinc/71/35/68/573713568.db2.gz IGGCOFQEQOYGMR-RYUDHWBXSA-N 1 1 196.338 1.576 10 30 ADEEMO Cc1[nH]ccc1[C@H]([NH3+])CC#N 238493419 573713641 /nfs/dbraw/zinc/71/36/41/573713641.db2.gz MTCSBPBLCPGLAR-MRVPVSSYSA-N 1 1 149.197 1.237 10 30 ADEEMO C[C@]([NH3+])(CC#N)c1ccccc1F 238493953 573719518 /nfs/dbraw/zinc/71/95/18/573719518.db2.gz YDNQOGICBKKYNN-JTQLQIEISA-N 1 1 178.210 1.913 10 30 ADEEMO CC#CCC[N@H+]1CCC[C@H]1C=O 238030009 573718848 /nfs/dbraw/zinc/71/88/48/573718848.db2.gz CLCFUTWDPOUGDR-JTQLQIEISA-N 1 1 165.236 1.063 10 30 ADEEMO O=CCc1cnc([C@@H]2CCCC[NH2+]2)o1 258097069 573719125 /nfs/dbraw/zinc/71/91/25/573719125.db2.gz NFZBPMSSMJAPHR-VIFPVBQESA-N 1 1 194.234 1.231 10 30 ADEEMO C[C@]([NH3+])(CC#N)c1cccc(F)c1 238493838 573719281 /nfs/dbraw/zinc/71/92/81/573719281.db2.gz BVNYBMZTEFYWOE-JTQLQIEISA-N 1 1 178.210 1.913 10 30 ADEEMO CC[C@@H](C#N)C[N@@H+](C)CC 258891431 573719282 /nfs/dbraw/zinc/71/92/82/573719282.db2.gz DCUUZZDRKUIIGL-QMMMGPOBSA-N 1 1 140.230 1.488 10 30 ADEEMO CC(C)[C@@H]1CC[N@@H+](CC=O)C1 108283379 573723551 /nfs/dbraw/zinc/72/35/51/573723551.db2.gz JZBYZTYKIQRJEW-SECBINFHSA-N 1 1 155.241 1.163 10 30 ADEEMO C#CCN(C)[C@H](C)[C@@H](C)C[NH2+]C1CC1 130882031 573723717 /nfs/dbraw/zinc/72/37/17/573723717.db2.gz SOPXWXUQYULLJH-WDEREUQCSA-N 1 1 194.322 1.328 10 30 ADEEMO CC#C[C@H]([NH3+])c1ccccn1 238047129 573723799 /nfs/dbraw/zinc/72/37/99/573723799.db2.gz AESPFOKHIWTMKU-QMMMGPOBSA-N 1 1 146.193 1.105 10 30 ADEEMO C#CCN(C)[C@@H](C)[C@@H](C)C[NH2+]C1CC1 130882446 573724174 /nfs/dbraw/zinc/72/41/74/573724174.db2.gz SOPXWXUQYULLJH-QWRGUYRKSA-N 1 1 194.322 1.328 10 30 ADEEMO CC1(C)CCCC[N@H+]1CC=O 108283399 573724888 /nfs/dbraw/zinc/72/48/88/573724888.db2.gz NGPURVCGCSCYFL-UHFFFAOYSA-N 1 1 155.241 1.450 10 30 ADEEMO C#CCN(C)Cc1ccccc1C[NH3+] 130876813 573724904 /nfs/dbraw/zinc/72/49/04/573724904.db2.gz KTABLTZRBUPKBQ-UHFFFAOYSA-N 1 1 188.274 1.210 10 30 ADEEMO C[C@H]1CC[N@H+](C[C@@H](C)C=O)C1 108283439 573724913 /nfs/dbraw/zinc/72/49/13/573724913.db2.gz RVOLIXZCFOWBHV-DTWKUNHWSA-N 1 1 155.241 1.163 10 30 ADEEMO C[C@@H](C=O)C[N@H+]1CC[C@@H](C)C1 108283435 573724962 /nfs/dbraw/zinc/72/49/62/573724962.db2.gz RVOLIXZCFOWBHV-RKDXNWHRSA-N 1 1 155.241 1.163 10 30 ADEEMO CC(C)[C@H]1CC[N@@H+](CC=O)C1 108283382 573725085 /nfs/dbraw/zinc/72/50/85/573725085.db2.gz JZBYZTYKIQRJEW-VIFPVBQESA-N 1 1 155.241 1.163 10 30 ADEEMO C#CCN(CC)[C@@H](C)[C@@H](C)C[NH2+]C 130914970 573727796 /nfs/dbraw/zinc/72/77/96/573727796.db2.gz SDUIBDCUPRNMBQ-QWRGUYRKSA-N 1 1 182.311 1.186 10 30 ADEEMO C#CCN(CC)[C@@H](C)CC[NH2+]C1CC1 130909516 573728215 /nfs/dbraw/zinc/72/82/15/573728215.db2.gz PGRUOLOCAASGKX-NSHDSACASA-N 1 1 194.322 1.472 10 30 ADEEMO C[N@H+]1CCC=C(CS)C1 258106819 573728358 /nfs/dbraw/zinc/72/83/58/573728358.db2.gz OIJUDFHTXSGFSY-UHFFFAOYSA-N 1 1 143.255 1.178 10 30 ADEEMO CO[C@@H](C=O)[C@@H]1CCC[N@H+](C(C)C)C1 257852791 573730364 /nfs/dbraw/zinc/73/03/64/573730364.db2.gz NAYNWZXKBOSXPE-MNOVXSKESA-N 1 1 199.294 1.321 10 30 ADEEMO C#CCN(CC)[C@@H](C)CC[NH2+]CCC 130911439 573730491 /nfs/dbraw/zinc/73/04/91/573730491.db2.gz LOTXFEOPFFDIQF-LBPRGKRZSA-N 1 1 196.338 1.720 10 30 ADEEMO C#CCN(CC)[C@H](C)CC[NH2+]CCC 130911211 573730683 /nfs/dbraw/zinc/73/06/83/573730683.db2.gz LOTXFEOPFFDIQF-GFCCVEGCSA-N 1 1 196.338 1.720 10 30 ADEEMO CO[C@H](C)[C@H](C)[N@@H+](C)C[C@@H](C)C#N 308426720 573730691 /nfs/dbraw/zinc/73/06/91/573730691.db2.gz ROVFVTYWSPAUMN-LPEHRKFASA-N 1 1 184.283 1.501 10 30 ADEEMO C#CCN(CC)[C@H](C)[C@@H](C)C[NH2+]C 130915188 573730822 /nfs/dbraw/zinc/73/08/22/573730822.db2.gz SDUIBDCUPRNMBQ-WDEREUQCSA-N 1 1 182.311 1.186 10 30 ADEEMO Cc1ccc([C@H]([NH3+])CC#N)cc1C#N 238487400 573731031 /nfs/dbraw/zinc/73/10/31/573731031.db2.gz XMSNEZTZUAUEDI-LLVKDONJSA-N 1 1 185.230 1.780 10 30 ADEEMO CC(C)[C@@H]1CCCC[N@H+]1CC=O 108288320 573735013 /nfs/dbraw/zinc/73/50/13/573735013.db2.gz YQDQRPUQOSGQOB-JTQLQIEISA-N 1 1 169.268 1.696 10 30 ADEEMO CC(C)(C)[C@H]1CC[N@@H+](CC=O)C1 108288318 573735035 /nfs/dbraw/zinc/73/50/35/573735035.db2.gz HCVYMVCFVRCOSK-VIFPVBQESA-N 1 1 169.268 1.553 10 30 ADEEMO CS[C@H]1CC[C@H]([N@@H+](C)CC=O)C1 687965709 573735287 /nfs/dbraw/zinc/73/52/87/573735287.db2.gz PUBXADWIXWVHCU-IUCAKERBSA-N 1 1 187.308 1.401 10 30 ADEEMO CC1(C)CCCC[N@H+]1CCC=O 108288365 573735403 /nfs/dbraw/zinc/73/54/03/573735403.db2.gz NIAUYISKHGYYNN-UHFFFAOYSA-N 1 1 169.268 1.840 10 30 ADEEMO C[C@H]1CCC[N@H+](C[C@@H](C)C=O)C1 108288465 573735676 /nfs/dbraw/zinc/73/56/76/573735676.db2.gz YMVLEZYLTSFMEV-VHSXEESVSA-N 1 1 169.268 1.553 10 30 ADEEMO CC(C)(C)[C@H]1CCC[N@H+]1CC=O 108288330 573736675 /nfs/dbraw/zinc/73/66/75/573736675.db2.gz LGXDKSHZUBEIRO-SECBINFHSA-N 1 1 169.268 1.696 10 30 ADEEMO CC(C)(C)[C@@H]1CC[N@@H+](CC=O)C1 108288316 573736130 /nfs/dbraw/zinc/73/61/30/573736130.db2.gz HCVYMVCFVRCOSK-SECBINFHSA-N 1 1 169.268 1.553 10 30 ADEEMO C[C@@H](C=O)C[N@H+]1CCCC[C@H]1C 108288414 573736367 /nfs/dbraw/zinc/73/63/67/573736367.db2.gz VSMZFLIOJONMHR-NXEZZACHSA-N 1 1 169.268 1.696 10 30 ADEEMO C[C@H]1CC[C@@H](C)C[N@@H+]1C[C@@H]1CO1 84047235 573744368 /nfs/dbraw/zinc/74/43/68/573744368.db2.gz YKTWNPRJTQJIFH-KXUCPTDWSA-N 1 1 169.268 1.506 10 30 ADEEMO CCCC[C@@H](C)[N@@H+](C)CC[C@@H](N)C#N 308695878 573738492 /nfs/dbraw/zinc/73/84/92/573738492.db2.gz SVYKDYOIPYZUBK-GHMZBOCLSA-N 1 1 197.326 1.738 10 30 ADEEMO C[C@H]([NH3+])c1cc(F)c(O)c(C#N)c1 258114790 573738758 /nfs/dbraw/zinc/73/87/58/573738758.db2.gz ZHRAJYFERGEYPT-YFKPBYRVSA-N 1 1 180.182 1.423 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCC[C@H](C(=O)OC)C1 97989535 573743137 /nfs/dbraw/zinc/74/31/37/573743137.db2.gz GXIPYSKATBYZRS-UWVGGRQHSA-N 1 1 197.278 1.446 10 30 ADEEMO C=C(CC=O)[C@@H]1CCC[N@H+](C)C1 258102473 573743180 /nfs/dbraw/zinc/74/31/80/573743180.db2.gz HDBHMEIUHMIZLF-SNVBAGLBSA-N 1 1 167.252 1.473 10 30 ADEEMO C[N@@H+](CCC[C@@H]1CO1)CCC1CC1 308426942 573742462 /nfs/dbraw/zinc/74/24/62/573742462.db2.gz XNUCMBNQMTVSRE-LLVKDONJSA-N 1 1 183.295 1.897 10 30 ADEEMO C=CCCC[N@@H+](CCO)CCC#N 308427649 573742559 /nfs/dbraw/zinc/74/25/59/573742559.db2.gz XWRDOHLWPMGBDD-UHFFFAOYSA-N 1 1 182.267 1.161 10 30 ADEEMO C=CCCC[N@H+](CCO)CCC#N 308427649 573742561 /nfs/dbraw/zinc/74/25/61/573742561.db2.gz XWRDOHLWPMGBDD-UHFFFAOYSA-N 1 1 182.267 1.161 10 30 ADEEMO Cc1ccc([C@@H](C)[NH2+]CC#CCO)o1 717547773 573742790 /nfs/dbraw/zinc/74/27/90/573742790.db2.gz CEJLQSYYPUIOAX-SNVBAGLBSA-N 1 1 193.246 1.234 10 30 ADEEMO C=C[C@H](C)[NH2+][C@@H]1CCN(CC)C[C@H]1C 393668570 573742937 /nfs/dbraw/zinc/74/29/37/573742937.db2.gz PJFUXHWKHKAGFZ-GRYCIOLGSA-N 1 1 196.338 1.881 10 30 ADEEMO C[C@H]1CC[C@H](C)[N@@H+](C[C@@H]2CO2)C1 84047239 573745325 /nfs/dbraw/zinc/74/53/25/573745325.db2.gz YKTWNPRJTQJIFH-LPEHRKFASA-N 1 1 169.268 1.506 10 30 ADEEMO C[N@@H+](CS)CC1CCOCC1 258901458 573747083 /nfs/dbraw/zinc/74/70/83/573747083.db2.gz KVNQHEOZFQRSAY-UHFFFAOYSA-N 1 1 175.297 1.232 10 30 ADEEMO C[C@H]1CC[C@@H](C)[N@@H+](C[C@@H]2CO2)C1 84047246 573747238 /nfs/dbraw/zinc/74/72/38/573747238.db2.gz YKTWNPRJTQJIFH-IVZWLZJFSA-N 1 1 169.268 1.506 10 30 ADEEMO C[C@H]1CC[C@@H](C)[N@@H+](CCC=O)C1 84049992 573747341 /nfs/dbraw/zinc/74/73/41/573747341.db2.gz SACNEODZFZFXST-VHSXEESVSA-N 1 1 169.268 1.696 10 30 ADEEMO CN[C@H]([C@H]1CC[N@@H+](C)C1)C(C)(C)C#N 259175180 573749937 /nfs/dbraw/zinc/74/99/37/573749937.db2.gz DKRWICFIDPUNTR-VHSXEESVSA-N 1 1 195.310 1.076 10 30 ADEEMO CN(CCC#N)CC[C@@H]1CC[N@@H+](C)C1 258907329 573750288 /nfs/dbraw/zinc/75/02/88/573750288.db2.gz LSNJYOVVENTCPK-LLVKDONJSA-N 1 1 195.310 1.174 10 30 ADEEMO CC[C@@H]1CO[C@H](C)C[N@H+]1CC[C@H]1CO1 308707212 573750514 /nfs/dbraw/zinc/75/05/14/573750514.db2.gz XDDYFNQFCBJXRY-MXWKQRLJSA-N 1 1 199.294 1.275 10 30 ADEEMO CC[C@H]1CCC[N@H+]1CCS 87054030 573754085 /nfs/dbraw/zinc/75/40/85/573754085.db2.gz XEOKMFVGDMHAAO-QMMMGPOBSA-N 1 1 159.298 1.791 10 30 ADEEMO SCC[N@H+]1CCc2ccccc2C1 87055075 573754132 /nfs/dbraw/zinc/75/41/32/573754132.db2.gz FEILLWWTTBJEHF-UHFFFAOYSA-N 1 1 193.315 1.975 10 30 ADEEMO C=C(CCO)[C@@H]1CCCC[N@@H+]1C 258116476 573753654 /nfs/dbraw/zinc/75/36/54/573753654.db2.gz HYZDKSXICSTZQI-JTQLQIEISA-N 1 1 169.268 1.409 10 30 ADEEMO C=C(C[C@H]1CCCC[N@H+]1C)C(=O)OC 258116533 573753669 /nfs/dbraw/zinc/75/36/69/573753669.db2.gz IACKXZRNNYFFIQ-SNVBAGLBSA-N 1 1 197.278 1.590 10 30 ADEEMO C[N@@H+](CC[C@@H]1CO1)CC1CCOCC1 308707565 573753692 /nfs/dbraw/zinc/75/36/92/573753692.db2.gz XHFOFEWQXSSYKN-LLVKDONJSA-N 1 1 199.294 1.134 10 30 ADEEMO C[C@@H]1C[C@H]1C[N@@H+](C)CCS 87053357 573753867 /nfs/dbraw/zinc/75/38/67/573753867.db2.gz PTGIDDYPZBXVAU-SFYZADRCSA-N 1 1 159.298 1.504 10 30 ADEEMO C[C@@H]1CC[C@@H](C)[N@@H+](C[C@](C)(N)C#N)C1 84052518 573753899 /nfs/dbraw/zinc/75/38/99/573753899.db2.gz UNBRGCHXSJRGJX-GMTAPVOTSA-N 1 1 195.310 1.348 10 30 ADEEMO C[N@@H+](CCCS)C1CC1 87057086 573754010 /nfs/dbraw/zinc/75/40/10/573754010.db2.gz IUEIOLDNAMMGHI-UHFFFAOYSA-N 1 1 145.271 1.401 10 30 ADEEMO C[C@H]1C[N@@H+](CCCS)CCO1 87054908 573759943 /nfs/dbraw/zinc/75/99/43/573759943.db2.gz DIZOAVOPXLBUAG-QMMMGPOBSA-N 1 1 175.297 1.027 10 30 ADEEMO CC[N@@H+](CCS)C1CC1 87057036 573760019 /nfs/dbraw/zinc/76/00/19/573760019.db2.gz NGYUNWMSAJTEKI-UHFFFAOYSA-N 1 1 145.271 1.401 10 30 ADEEMO C[N@@H+](CC1(CS)CC1)C1CC1 87057135 573760080 /nfs/dbraw/zinc/76/00/80/573760080.db2.gz UYQJLAQBLIFLQG-UHFFFAOYSA-N 1 1 171.309 1.791 10 30 ADEEMO C[C@@H](C#N)N(C)CC[C@@H]1CC[N@@H+](C)C1 258911244 573760226 /nfs/dbraw/zinc/76/02/26/573760226.db2.gz YWDIUCYGDUNXSN-QWRGUYRKSA-N 1 1 195.310 1.172 10 30 ADEEMO N#C[C@H]1C[NH2+][C@H](c2ccco2)C1 108332001 573760380 /nfs/dbraw/zinc/76/03/80/573760380.db2.gz RDHJNGLOOTVVHF-YUMQZZPRSA-N 1 1 162.192 1.454 10 30 ADEEMO C[C@H](C#N)NCC[C@H]1CCC[N@@H+](C)C1 258911416 573760474 /nfs/dbraw/zinc/76/04/74/573760474.db2.gz ZALAJXQRHIVEFN-GHMZBOCLSA-N 1 1 195.310 1.220 10 30 ADEEMO C[C@H]1COCC[N@@H+]1C[C@@H](C)CS 87058015 573760556 /nfs/dbraw/zinc/76/05/56/573760556.db2.gz CYZFLINDQJXXBD-BDAKNGLRSA-N 1 1 189.324 1.273 10 30 ADEEMO CC(C)[C@@H](C)[N@@H+](C)CCS 87058723 573760607 /nfs/dbraw/zinc/76/06/07/573760607.db2.gz UDMBWXBLFVWFDH-MRVPVSSYSA-N 1 1 161.314 1.893 10 30 ADEEMO C[C@@H]1CC[N@@H+](CCS)C1 87059511 573764349 /nfs/dbraw/zinc/76/43/49/573764349.db2.gz MQKXRTCEQOOJKP-SSDOTTSWSA-N 1 1 145.271 1.258 10 30 ADEEMO C[C@H](C1CC1)[N@@H+](C)CCS 87058295 573763669 /nfs/dbraw/zinc/76/36/69/573763669.db2.gz FPGPWJRURLEIOT-SSDOTTSWSA-N 1 1 159.298 1.647 10 30 ADEEMO CCC[N@@H+](C)C[C@H](C)CS 87057385 573763701 /nfs/dbraw/zinc/76/37/01/573763701.db2.gz BCUHUIJDABJXSQ-QMMMGPOBSA-N 1 1 161.314 1.894 10 30 ADEEMO CCC[N@@H+](C)C/C=C/CS 87057404 573763773 /nfs/dbraw/zinc/76/37/73/573763773.db2.gz WDVAYOXUJDRLST-SNAWJCMRSA-N 1 1 159.298 1.814 10 30 ADEEMO SCCC[N@H+]1CCn2ccnc2C1 87060067 573763954 /nfs/dbraw/zinc/76/39/54/573763954.db2.gz VYAFEBSJHAJMFE-UHFFFAOYSA-N 1 1 197.307 1.019 10 30 ADEEMO COCC[N@@H+](C)CCCCS 87075269 573764007 /nfs/dbraw/zinc/76/40/07/573764007.db2.gz NZEVCYOYEKQJGF-UHFFFAOYSA-N 1 1 177.313 1.275 10 30 ADEEMO SCC[N@H+]1CCO[C@H]2CCC[C@@H]21 87073054 573764079 /nfs/dbraw/zinc/76/40/79/573764079.db2.gz MNUMXOFEFOQGEC-IUCAKERBSA-N 1 1 187.308 1.170 10 30 ADEEMO C[N@@H+](CCC#N)[C@@H]1CCCCC[C@@H]1O 84082478 573764085 /nfs/dbraw/zinc/76/40/85/573764085.db2.gz CCMRBKHPXRUJMC-MNOVXSKESA-N 1 1 196.294 1.525 10 30 ADEEMO CC[C@H]1COCC[N@H+]1CCS 87058906 573764100 /nfs/dbraw/zinc/76/41/00/573764100.db2.gz UPESPDAVTWDQQV-QMMMGPOBSA-N 1 1 175.297 1.027 10 30 ADEEMO CC[C@@H]1COCC[N@H+]1CCS 87058905 573764257 /nfs/dbraw/zinc/76/42/57/573764257.db2.gz UPESPDAVTWDQQV-MRVPVSSYSA-N 1 1 175.297 1.027 10 30 ADEEMO CCCCCCCNCC[NH2+]C 100052459 573767207 /nfs/dbraw/zinc/76/72/07/573767207.db2.gz XOWFOZULJJLTKS-UHFFFAOYSA-N 1 1 172.316 1.766 10 30 ADEEMO Cc1cc([C@@H]([NH3+])CC#N)c(C)cc1O 238509022 573767567 /nfs/dbraw/zinc/76/75/67/573767567.db2.gz HSCAUDNDFHQQJR-JTQLQIEISA-N 1 1 190.246 1.923 10 30 ADEEMO N#C[C@@H]1C[NH2+][C@@H](c2ccccc2F)C1 108340613 573767826 /nfs/dbraw/zinc/76/78/26/573767826.db2.gz XAUCHEPQGBCKDY-LDYMZIIASA-N 1 1 190.221 2.000 10 30 ADEEMO COc1ccc(C[NH2+]CC=O)cc1F 258926472 573767838 /nfs/dbraw/zinc/76/78/38/573767838.db2.gz RERKKZQXSRSOCO-UHFFFAOYSA-N 1 1 197.209 1.123 10 30 ADEEMO Cc1[nH+]ccn1CCCS 87091229 573770527 /nfs/dbraw/zinc/77/05/27/573770527.db2.gz RLXKIOZGPRRNHM-UHFFFAOYSA-N 1 1 156.254 1.511 10 30 ADEEMO CC(C)c1[nH+]ccn1CCS 87092009 573770666 /nfs/dbraw/zinc/77/06/66/573770666.db2.gz DHPWGYHSBPXEPF-UHFFFAOYSA-N 1 1 170.281 1.936 10 30 ADEEMO C[N@H+](CS)CCc1ccc[nH]1 258932512 573770905 /nfs/dbraw/zinc/77/09/05/573770905.db2.gz PBYQAJXMJKMIHP-UHFFFAOYSA-N 1 1 170.281 1.376 10 30 ADEEMO C[N@@H+](CS)CCc1ccc[nH]1 258932512 573770911 /nfs/dbraw/zinc/77/09/11/573770911.db2.gz PBYQAJXMJKMIHP-UHFFFAOYSA-N 1 1 170.281 1.376 10 30 ADEEMO C=CC[C@H](CC)[NH2+][C@@H]1C[C@H](C)OC1=O 308715090 573772574 /nfs/dbraw/zinc/77/25/74/573772574.db2.gz AVRRYQIZLFHBBB-LPEHRKFASA-N 1 1 197.278 1.635 10 30 ADEEMO C=CC[C@H](CC)[NH2+][C@@H]1C[C@@H](C)OC1=O 308714754 573772675 /nfs/dbraw/zinc/77/26/75/573772675.db2.gz AVRRYQIZLFHBBB-KXUCPTDWSA-N 1 1 197.278 1.635 10 30 ADEEMO C[C@]12CCCC[C@H]1C[C@@H](C#N)[NH2+]2 238511375 573772699 /nfs/dbraw/zinc/77/26/99/573772699.db2.gz LICCSIHLYINBBG-GUBZILKMSA-N 1 1 164.252 1.821 10 30 ADEEMO Cc1[nH+]cn(CCS)c1C 87092767 573772719 /nfs/dbraw/zinc/77/27/19/573772719.db2.gz UJYJZDCNOSIVEE-UHFFFAOYSA-N 1 1 156.254 1.430 10 30 ADEEMO C=CC[N@@H+](CC)[C@@H](CC)C(=O)OC 308436376 573772846 /nfs/dbraw/zinc/77/28/46/573772846.db2.gz WTGSHZDEIRHTBE-VIFPVBQESA-N 1 1 185.267 1.446 10 30 ADEEMO C=CC[N@H+](CC)[C@@H](CC)C(=O)OC 308436376 573772850 /nfs/dbraw/zinc/77/28/50/573772850.db2.gz WTGSHZDEIRHTBE-VIFPVBQESA-N 1 1 185.267 1.446 10 30 ADEEMO CN[C@H](C#N)C[N@@H+]1CCC[C@@H]1C(C)C 84127337 573772899 /nfs/dbraw/zinc/77/28/99/573772899.db2.gz YJLLHTZTNBODPR-GHMZBOCLSA-N 1 1 195.310 1.218 10 30 ADEEMO CN[C@H](C#N)C[N@H+]1CCC[C@@H]1C(C)C 84127337 573772908 /nfs/dbraw/zinc/77/29/08/573772908.db2.gz YJLLHTZTNBODPR-GHMZBOCLSA-N 1 1 195.310 1.218 10 30 ADEEMO CCc1[nH+]ccn1CCS 87094635 573774225 /nfs/dbraw/zinc/77/42/25/573774225.db2.gz VNQJSHCZIRQGPD-UHFFFAOYSA-N 1 1 156.254 1.375 10 30 ADEEMO Cc1[nH+]cn(C/C=C/CS)c1C 87092786 573774888 /nfs/dbraw/zinc/77/48/88/573774888.db2.gz KKAZRSZLONFUHC-ONEGZZNKSA-N 1 1 182.292 1.986 10 30 ADEEMO Cc1[nH+]cn(CCCS)c1C 87092789 573776273 /nfs/dbraw/zinc/77/62/73/573776273.db2.gz HMSMBKAYTYMMJL-UHFFFAOYSA-N 1 1 170.281 1.820 10 30 ADEEMO CC(C)[N@H+]1CCC[C@H](C#CCO)C1 258118389 573777052 /nfs/dbraw/zinc/77/70/52/573777052.db2.gz IECKQGHXTIGPOK-LLVKDONJSA-N 1 1 181.279 1.103 10 30 ADEEMO CC(C)[N@H+]1CCC[C@@H](C#CCO)C1 258118390 573777062 /nfs/dbraw/zinc/77/70/62/573777062.db2.gz IECKQGHXTIGPOK-NSHDSACASA-N 1 1 181.279 1.103 10 30 ADEEMO C=C1C=CC=C(CC#N)[NH2+]1 100185592 573778353 /nfs/dbraw/zinc/77/83/53/573778353.db2.gz RFFAEBSCOIGNIS-UHFFFAOYSA-N 1 1 132.166 1.457 10 30 ADEEMO C=C[C@@H]1CCCC[N@@H+]1CC=O 238107622 573778613 /nfs/dbraw/zinc/77/86/13/573778613.db2.gz GSTANXLPIWVVPN-SECBINFHSA-N 1 1 153.225 1.226 10 30 ADEEMO C=C[C@@H]1CCCC[N@H+]1CC=O 238107622 573778619 /nfs/dbraw/zinc/77/86/19/573778619.db2.gz GSTANXLPIWVVPN-SECBINFHSA-N 1 1 153.225 1.226 10 30 ADEEMO CC(C)[C@H]1CCC[N@H+]1C[C@@H]1CO1 84125987 573778804 /nfs/dbraw/zinc/77/88/04/573778804.db2.gz TVFCCJKWGXRZEX-NXEZZACHSA-N 1 1 169.268 1.506 10 30 ADEEMO CC(C)[C@@H]1CCC[N@H+]1C[C@@H]1CO1 84125985 573778899 /nfs/dbraw/zinc/77/88/99/573778899.db2.gz TVFCCJKWGXRZEX-ZJUUUORDSA-N 1 1 169.268 1.506 10 30 ADEEMO CCCCC(N)=[NH+]O[C@H]1CCOC1 308431566 573783007 /nfs/dbraw/zinc/78/30/07/573783007.db2.gz UBYCNXHBMSPGLU-QMMMGPOBSA-N 1 1 186.255 1.254 10 30 ADEEMO CCCc1c[nH]c(CCS)[nH+]1 259187123 573786470 /nfs/dbraw/zinc/78/64/70/573786470.db2.gz WPEYGZDNFNVUJA-UHFFFAOYSA-N 1 1 170.281 1.835 10 30 ADEEMO C[N@H+]1CC[C@H]([C@@]2(C)C[C@H]2C#N)C1 258945593 573792231 /nfs/dbraw/zinc/79/22/31/573792231.db2.gz DEGGZZSWZXSBTR-LPEHRKFASA-N 1 1 164.252 1.488 10 30 ADEEMO Cc1ccn2c(CC=O)[nH+]cc2c1 258424534 573792733 /nfs/dbraw/zinc/79/27/33/573792733.db2.gz CXZWRWJOWSKYSH-UHFFFAOYSA-N 1 1 174.203 1.384 10 30 ADEEMO Cc1cc([C@H]([NH3+])CC#N)c(C)cc1N 238520359 573793586 /nfs/dbraw/zinc/79/35/86/573793586.db2.gz DKLVUQQNNSFZKR-SNVBAGLBSA-N 1 1 189.262 1.799 10 30 ADEEMO [NH3+][C@H](C=O)c1ccc2ncoc2c1 259190252 573799287 /nfs/dbraw/zinc/79/92/87/573799287.db2.gz FPBINEJITMOMSG-SSDOTTSWSA-N 1 1 176.175 1.027 10 30 ADEEMO C#CCCC[N@H+](C)C1CC(OC)C1 308442941 573799289 /nfs/dbraw/zinc/79/92/89/573799289.db2.gz ZTTUDJVEYPMTOU-UHFFFAOYSA-N 1 1 181.279 1.509 10 30 ADEEMO C#CCOCCNc1ccc(C)c[nH+]1 308746507 573799304 /nfs/dbraw/zinc/79/93/04/573799304.db2.gz RLFVTSXRMUPTLN-UHFFFAOYSA-N 1 1 190.246 1.452 10 30 ADEEMO Cc1ccc(N)cc1[C@H]([NH3+])CC#N 238514184 573799333 /nfs/dbraw/zinc/79/93/33/573799333.db2.gz NIGIANWTLOMMRO-SNVBAGLBSA-N 1 1 175.235 1.491 10 30 ADEEMO N#C[C@H]1CC[N@H+]([C@H]2CCCSC2)C1 259621506 573799429 /nfs/dbraw/zinc/79/94/29/573799429.db2.gz FGRHBTQOKFCGIX-ZJUUUORDSA-N 1 1 196.319 1.727 10 30 ADEEMO C[C@H]([NH2+][C@H](C)CC#N)c1ccn(C)c1 393668895 573799698 /nfs/dbraw/zinc/79/96/98/573799698.db2.gz BQTGGXRFKWLICI-ZJUUUORDSA-N 1 1 191.278 1.978 10 30 ADEEMO Cc1c(C#N)cccc1[C@@H]([NH3+])CC#N 238521305 573800935 /nfs/dbraw/zinc/80/09/35/573800935.db2.gz KEMVPTDWRQWZKG-NSHDSACASA-N 1 1 185.230 1.780 10 30 ADEEMO N#C[C@@H]1CC[N@H+]([C@H]2CCCSC2)C1 259621500 573801076 /nfs/dbraw/zinc/80/10/76/573801076.db2.gz FGRHBTQOKFCGIX-UWVGGRQHSA-N 1 1 196.319 1.727 10 30 ADEEMO C[C@@H](CC#N)[NH2+][C@@H](C)c1ccn(C)c1 393668892 573801444 /nfs/dbraw/zinc/80/14/44/573801444.db2.gz BQTGGXRFKWLICI-UWVGGRQHSA-N 1 1 191.278 1.978 10 30 ADEEMO Cc1cc[nH]c1[C@@H]([NH3+])CC#N 238528275 573802869 /nfs/dbraw/zinc/80/28/69/573802869.db2.gz RAZWCKAFXPKXRP-ZETCQYMHSA-N 1 1 149.197 1.237 10 30 ADEEMO C[N@@H+](CC1(C#N)COC1)C(C)(C)C 258954882 573802508 /nfs/dbraw/zinc/80/25/08/573802508.db2.gz JVXZYDYCFUUDPD-UHFFFAOYSA-N 1 1 182.267 1.257 10 30 ADEEMO CC#CC[NH2+]Cc1cn2ccccc2n1 127243352 573802619 /nfs/dbraw/zinc/80/26/19/573802619.db2.gz RBIJGQCNFKRDJV-UHFFFAOYSA-N 1 1 199.257 1.447 10 30 ADEEMO C[N@H+]1CC[C@@H](N2CCC[C@@H]2CC#N)C1 259570566 573803035 /nfs/dbraw/zinc/80/30/35/573803035.db2.gz AMJMOCCZXBKCFB-GHMZBOCLSA-N 1 1 193.294 1.069 10 30 ADEEMO SCN1CC[N@H+]2CCCC[C@@H]2C1 259192826 573803257 /nfs/dbraw/zinc/80/32/57/573803257.db2.gz MKCVZXGPDBBWLE-SECBINFHSA-N 1 1 186.324 1.044 10 30 ADEEMO CC(C)[N@H+]1CC=C(CS)C1 258135573 573803546 /nfs/dbraw/zinc/80/35/46/573803546.db2.gz QBFSYAMWQARCMB-UHFFFAOYSA-N 1 1 157.282 1.567 10 30 ADEEMO SCN1CC[N@H+]2CCCC[C@H]2C1 259192828 573805845 /nfs/dbraw/zinc/80/58/45/573805845.db2.gz MKCVZXGPDBBWLE-VIFPVBQESA-N 1 1 186.324 1.044 10 30 ADEEMO C[N@H+]1CC[C@@H](N2CCC[C@H]2CC#N)C1 259570570 573806768 /nfs/dbraw/zinc/80/67/68/573806768.db2.gz AMJMOCCZXBKCFB-WDEREUQCSA-N 1 1 193.294 1.069 10 30 ADEEMO C=CC[N@@H+]1CC[C@@H](CO)CC1(C)C 259571284 573805872 /nfs/dbraw/zinc/80/58/72/573805872.db2.gz YQWVMSLWWRARQR-SNVBAGLBSA-N 1 1 183.295 1.655 10 30 ADEEMO C=C[C@H]1[NH2+][C@H](c2ccccc2)CO1 238127983 573806066 /nfs/dbraw/zinc/80/60/66/573806066.db2.gz KTASOJVXZDVYTI-QWRGUYRKSA-N 1 1 175.231 1.860 10 30 ADEEMO COCC[N@@H+](C(C)C)[C@H](C)CC#N 131278258 573806175 /nfs/dbraw/zinc/80/61/75/573806175.db2.gz HRFBKTVZUFDQOC-SNVBAGLBSA-N 1 1 184.283 1.645 10 30 ADEEMO N#CCc1cc2c[nH+]cn2c(Cl)n1 238516195 573806228 /nfs/dbraw/zinc/80/62/28/573806228.db2.gz VXXMKPDVCICUSP-UHFFFAOYSA-N 1 1 192.609 1.449 10 30 ADEEMO C[N@H+]1CC[C@H](N2CCC[C@@H]2CC#N)C1 259570567 573806428 /nfs/dbraw/zinc/80/64/28/573806428.db2.gz AMJMOCCZXBKCFB-MNOVXSKESA-N 1 1 193.294 1.069 10 30 ADEEMO COCC[N@@H+](C[C@@H](C)C#N)C(C)C 131278520 573809612 /nfs/dbraw/zinc/80/96/12/573809612.db2.gz LGFQXMQCMXXZLU-JTQLQIEISA-N 1 1 184.283 1.503 10 30 ADEEMO CCCC[N@H+](C)[C@@H]1CCO[C@@H]1C#N 393591173 573809762 /nfs/dbraw/zinc/80/97/62/573809762.db2.gz QGKTYQMLZZFPAT-NXEZZACHSA-N 1 1 182.267 1.399 10 30 ADEEMO CCCC[N@@H+](C)[C@@H]1CCO[C@@H]1C#N 393591173 573809768 /nfs/dbraw/zinc/80/97/68/573809768.db2.gz QGKTYQMLZZFPAT-NXEZZACHSA-N 1 1 182.267 1.399 10 30 ADEEMO C=C(COCCC)[C@@H]([NH3+])C(C)(F)F 387512032 573809924 /nfs/dbraw/zinc/80/99/24/573809924.db2.gz FSZJRGFCCVZPIK-MRVPVSSYSA-N 1 1 193.237 1.952 10 30 ADEEMO COCC[N@@H+](C[C@H](C)C#N)C(C)C 131278729 573809952 /nfs/dbraw/zinc/80/99/52/573809952.db2.gz LGFQXMQCMXXZLU-SNVBAGLBSA-N 1 1 184.283 1.503 10 30 ADEEMO C[N@H+]1CC[C@H](C(C)(C)CS)C1 259198569 573811992 /nfs/dbraw/zinc/81/19/92/573811992.db2.gz KQHBNLGJQRHWCU-QMMMGPOBSA-N 1 1 173.325 1.894 10 30 ADEEMO N#C[C@@H](C[NH3+])c1cccs1 258516607 573820645 /nfs/dbraw/zinc/82/06/45/573820645.db2.gz FWGUIDWVQLMHKD-ZCFIWIBFSA-N 1 1 152.222 1.314 10 30 ADEEMO O=CC[N@@H+]1CCC[C@@H](F)CC1 258147010 573821381 /nfs/dbraw/zinc/82/13/81/573821381.db2.gz RPILCALUUJXMOG-MRVPVSSYSA-N 1 1 159.204 1.009 10 30 ADEEMO Cc1nc(C[NH3+])c(C#N)cc1C(F)F 238524232 573821046 /nfs/dbraw/zinc/82/10/46/573821046.db2.gz FSTCRUUKYRZXPA-UHFFFAOYSA-N 1 1 197.188 1.658 10 30 ADEEMO Cc1cc([C@H]([NH3+])CN)c(C)cc1C#N 238523008 573821261 /nfs/dbraw/zinc/82/12/61/573821261.db2.gz XNNXJFMBXZWRCK-LLVKDONJSA-N 1 1 189.262 1.134 10 30 ADEEMO CCO[C@@H](C)C[C@](C)([NH3+])C#N 84301012 573821335 /nfs/dbraw/zinc/82/13/35/573821335.db2.gz NOLMYPXBRZJIRZ-YUMQZZPRSA-N 1 1 156.229 1.042 10 30 ADEEMO C[C@@H]1[C@@H](CC#N)NC[C@@H]2CCCC[N@H+]21 259622604 573822435 /nfs/dbraw/zinc/82/24/35/573822435.db2.gz HIOCCRZYAWEWFC-OUAUKWLOSA-N 1 1 193.294 1.115 10 30 ADEEMO C=C(CO)[C@H]1CCCC[N@@H+]1CC 258149254 573822461 /nfs/dbraw/zinc/82/24/61/573822461.db2.gz KGNPZNHCXXHHDR-SNVBAGLBSA-N 1 1 169.268 1.409 10 30 ADEEMO C[NH+]1CC(Nc2ccccc2C#N)C1 306939494 573824362 /nfs/dbraw/zinc/82/43/62/573824362.db2.gz GWMOOUMOSCDIAA-UHFFFAOYSA-N 1 1 187.246 1.284 10 30 ADEEMO Cc1ccc([C@@H]2O[C@]2(C#N)C[NH3+])cc1 238525173 573824943 /nfs/dbraw/zinc/82/49/43/573824943.db2.gz GGCABDYONIPPCT-QWRGUYRKSA-N 1 1 188.230 1.287 10 30 ADEEMO C=CC[C@H](C)[N@@H+](C)C(C)(C)CO 715021295 573825317 /nfs/dbraw/zinc/82/53/17/573825317.db2.gz FMWWXPYORPWACM-VIFPVBQESA-N 1 1 171.284 1.654 10 30 ADEEMO Cc1ccc([C@@H]2O[C@@]2(C#N)C[NH3+])cc1 238525236 573825614 /nfs/dbraw/zinc/82/56/14/573825614.db2.gz GGCABDYONIPPCT-WDEREUQCSA-N 1 1 188.230 1.287 10 30 ADEEMO C[N@@H+](CS)CC1CCCC1 258961422 573827163 /nfs/dbraw/zinc/82/71/63/573827163.db2.gz SWSWVBZGSYBMMT-UHFFFAOYSA-N 1 1 159.298 1.996 10 30 ADEEMO C=CC[C@@H](C)[N@H+](CC=C)CCO 715022351 573827179 /nfs/dbraw/zinc/82/71/79/573827179.db2.gz HSGTTXXCQXUJGM-SNVBAGLBSA-N 1 1 169.268 1.431 10 30 ADEEMO C=C(CO)[C@@H]1CCCC[N@@H+]1CC 258149250 573827354 /nfs/dbraw/zinc/82/73/54/573827354.db2.gz KGNPZNHCXXHHDR-JTQLQIEISA-N 1 1 169.268 1.409 10 30 ADEEMO Cc1cccc(N)c1[C@H]([NH3+])CC#N 238531420 573829399 /nfs/dbraw/zinc/82/93/99/573829399.db2.gz GMFTVONCXOHYIY-SECBINFHSA-N 1 1 175.235 1.491 10 30 ADEEMO C=C(CO)[C@H]1CCC[N@H+](CC)C1 258142852 573829758 /nfs/dbraw/zinc/82/97/58/573829758.db2.gz JWLVVLXLSCKMSE-JTQLQIEISA-N 1 1 169.268 1.267 10 30 ADEEMO CC(C)(C)[N@H+]1CC[C@@H]([C@@H](F)C=O)C1 257886263 573829809 /nfs/dbraw/zinc/82/98/09/573829809.db2.gz MQTLDAXLKQOHKV-BDAKNGLRSA-N 1 1 187.258 1.644 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@@H](C)[C@H]1CO 715023909 573834613 /nfs/dbraw/zinc/83/46/13/573834613.db2.gz MCEYPHUHSGJKKO-OUAUKWLOSA-N 1 1 183.295 1.654 10 30 ADEEMO C=CC[N@@H+](C)CCc1cccc(N)c1 131416852 573834675 /nfs/dbraw/zinc/83/46/75/573834675.db2.gz GIIWXUQKQBYRNU-UHFFFAOYSA-N 1 1 190.290 1.929 10 30 ADEEMO C=C(C[C@H]1CCC[N@@H+]1CC)C(=O)OC 258151601 573838486 /nfs/dbraw/zinc/83/84/86/573838486.db2.gz KJUOLVDHLLCWRM-SNVBAGLBSA-N 1 1 197.278 1.590 10 30 ADEEMO N#Cc1cc(Cl)cn2c[nH+]cc12 238533811 573839997 /nfs/dbraw/zinc/83/99/97/573839997.db2.gz ZIFBXQDPEHKBAT-UHFFFAOYSA-N 1 1 177.594 1.859 10 30 ADEEMO C[N@H+]1CCC[C@H]([C@@H]2C[C@@]2(C)C#N)C1 258968337 573840046 /nfs/dbraw/zinc/84/00/46/573840046.db2.gz HSWBWIGQCIDBTI-DCAQKATOSA-N 1 1 178.279 1.878 10 30 ADEEMO Cc1ccc2[nH+]c(N)[nH]c2c1C#N 238535602 573840360 /nfs/dbraw/zinc/84/03/60/573840360.db2.gz COPVYGRGYJPUSW-UHFFFAOYSA-N 1 1 172.191 1.325 10 30 ADEEMO Cc1ccc2[nH]c(N)[nH+]c2c1C#N 238535602 573840366 /nfs/dbraw/zinc/84/03/66/573840366.db2.gz COPVYGRGYJPUSW-UHFFFAOYSA-N 1 1 172.191 1.325 10 30 ADEEMO Cc1[nH]c([C@H]2CC[N@H+](C)C2)cc1C#N 259209151 573840530 /nfs/dbraw/zinc/84/05/30/573840530.db2.gz NSIHHNFSIDHMNJ-VIFPVBQESA-N 1 1 189.262 1.614 10 30 ADEEMO C[N@H+]1CCC[C@H]([C@@H]2C[C@]2(C)C#N)C1 258968341 573844331 /nfs/dbraw/zinc/84/43/31/573844331.db2.gz HSWBWIGQCIDBTI-GARJFASQSA-N 1 1 178.279 1.878 10 30 ADEEMO CC1(C)CC[N@@H+](C[C@H]2CO2)C1 87252540 573844393 /nfs/dbraw/zinc/84/43/93/573844393.db2.gz BZJVJXWJDYLYLR-QMMMGPOBSA-N 1 1 155.241 1.117 10 30 ADEEMO C[C@@H]1CC[N@@H+](C)C[C@H](CC#N)C1 259574702 573849703 /nfs/dbraw/zinc/84/97/03/573849703.db2.gz JPDWIULSOZRZSN-NXEZZACHSA-N 1 1 166.268 1.878 10 30 ADEEMO C=CC[N@H+](C(C)C)[C@H](C)C(=O)OC 308453250 573849099 /nfs/dbraw/zinc/84/90/99/573849099.db2.gz FEVQFTKMDUWYND-SECBINFHSA-N 1 1 185.267 1.444 10 30 ADEEMO C=CC[N@@H+](C(C)C)[C@H](C)C(=O)OC 308453250 573849106 /nfs/dbraw/zinc/84/91/06/573849106.db2.gz FEVQFTKMDUWYND-SECBINFHSA-N 1 1 185.267 1.444 10 30 ADEEMO CC(C)[C@@H](C#N)[C@@H]([NH3+])c1cc[nH]c1 259574906 573849407 /nfs/dbraw/zinc/84/94/07/573849407.db2.gz VUOFVTUKQHWLNU-ZJUUUORDSA-N 1 1 177.251 1.810 10 30 ADEEMO CC1(C)CC[N@@H+](C[C@@H]2CO2)C1 87252538 573849517 /nfs/dbraw/zinc/84/95/17/573849517.db2.gz BZJVJXWJDYLYLR-MRVPVSSYSA-N 1 1 155.241 1.117 10 30 ADEEMO C[C@H](C/C(N)=N/O)[N@H+]1CCC(C)(C)C1 87254685 573851312 /nfs/dbraw/zinc/85/13/12/573851312.db2.gz HJCKKTRSVYJVNC-MRVPVSSYSA-N 1 1 199.298 1.243 10 30 ADEEMO C[NH2+][C@H](C=O)c1ccc(F)c(F)c1 259212155 573850695 /nfs/dbraw/zinc/85/06/95/573850695.db2.gz FUSUSIXKBYVMSS-SECBINFHSA-N 1 1 185.173 1.424 10 30 ADEEMO C[C@H](C[N@H+]1CCC(C)(C)C1)/C(N)=N/O 87254704 573850813 /nfs/dbraw/zinc/85/08/13/573850813.db2.gz IGYKFRWYKZXYLM-MRVPVSSYSA-N 1 1 199.298 1.101 10 30 ADEEMO CC(C)[C@H](C#N)[C@@H]([NH3+])c1cc[nH]c1 259574901 573850899 /nfs/dbraw/zinc/85/08/99/573850899.db2.gz VUOFVTUKQHWLNU-UWVGGRQHSA-N 1 1 177.251 1.810 10 30 ADEEMO C=CC[C@H](C)[C@@H](O)[C@H]1CC[N@@H+](C)C1 715027548 573851075 /nfs/dbraw/zinc/85/10/75/573851075.db2.gz CZMVEBLSLVICRM-GARJFASQSA-N 1 1 183.295 1.511 10 30 ADEEMO C[C@H]1CC[N@@H+](C)C[C@@H](CC#N)C1 259574704 573851170 /nfs/dbraw/zinc/85/11/70/573851170.db2.gz JPDWIULSOZRZSN-UWVGGRQHSA-N 1 1 166.268 1.878 10 30 ADEEMO C=C(CO)C[C@H]1CCC[N@H+](C)C1 258153913 573851198 /nfs/dbraw/zinc/85/11/98/573851198.db2.gz KLUAIPPGGRQZDA-SNVBAGLBSA-N 1 1 169.268 1.267 10 30 ADEEMO CO[C@@]1(C=O)CCC[N@H+](C2CC2)CC1 257887624 573852870 /nfs/dbraw/zinc/85/28/70/573852870.db2.gz WPJYZBICSVUMIC-NSHDSACASA-N 1 1 197.278 1.219 10 30 ADEEMO CC1(C)CC[N@@H+](CCC=O)C1 87256877 573852924 /nfs/dbraw/zinc/85/29/24/573852924.db2.gz LSKQDJZNHATLGN-UHFFFAOYSA-N 1 1 155.241 1.307 10 30 ADEEMO C=CC[C@H](C)[C@H](O)[C@@H]1CC[N@@H+](C)C1 715027543 573853177 /nfs/dbraw/zinc/85/31/77/573853177.db2.gz CZMVEBLSLVICRM-AXFHLTTASA-N 1 1 183.295 1.511 10 30 ADEEMO CN(CC#N)CC[C@@H]1CCC[N@@H+](C)C1 258969630 573853283 /nfs/dbraw/zinc/85/32/83/573853283.db2.gz YRGZCIDEWLFPOY-NSHDSACASA-N 1 1 195.310 1.174 10 30 ADEEMO C[C@@H](C[N@H+]1CCC(C)(C)C1)/C(N)=N/O 87254703 573853294 /nfs/dbraw/zinc/85/32/94/573853294.db2.gz IGYKFRWYKZXYLM-QMMMGPOBSA-N 1 1 199.298 1.101 10 30 ADEEMO CN(CC#N)CC[C@H]1CCC[N@@H+](C)C1 258969626 573854628 /nfs/dbraw/zinc/85/46/28/573854628.db2.gz YRGZCIDEWLFPOY-LLVKDONJSA-N 1 1 195.310 1.174 10 30 ADEEMO C=CC[C@H](C)[C@@H](O)[C@@H]1CC[N@@H+](C)C1 715027550 573854704 /nfs/dbraw/zinc/85/47/04/573854704.db2.gz CZMVEBLSLVICRM-HBNTYKKESA-N 1 1 183.295 1.511 10 30 ADEEMO C=CC[N@@H+]1CCCC[C@@H]1CC#N 259212772 573855149 /nfs/dbraw/zinc/85/51/49/573855149.db2.gz JVYGHVFYGQKWMP-SNVBAGLBSA-N 1 1 164.252 1.941 10 30 ADEEMO C=CC[N@H+]1CCCC[C@@H]1CC#N 259212772 573855153 /nfs/dbraw/zinc/85/51/53/573855153.db2.gz JVYGHVFYGQKWMP-SNVBAGLBSA-N 1 1 164.252 1.941 10 30 ADEEMO C=CC[NH+]1CC(O)(CCC)C1 84363613 573856261 /nfs/dbraw/zinc/85/62/61/573856261.db2.gz JJRLWBQMHAULIA-UHFFFAOYSA-N 1 1 155.241 1.019 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@@H](C)[C@H](O)C1 715025877 573856591 /nfs/dbraw/zinc/85/65/91/573856591.db2.gz UTFRQURRKSBENO-OUAUKWLOSA-N 1 1 183.295 1.654 10 30 ADEEMO C=CC[C@@H](C)[C@@H](O)c1c[nH+]c(C)n1C 715028468 573856743 /nfs/dbraw/zinc/85/67/43/573856743.db2.gz JLRNZZHENYBJSL-LDYMZIIASA-N 1 1 194.278 1.974 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CCC[C@H](O)CC1 715028742 573856800 /nfs/dbraw/zinc/85/68/00/573856800.db2.gz LYFQMMSKPQRSNS-QWRGUYRKSA-N 1 1 183.295 1.798 10 30 ADEEMO C=CC[C@H](C)[C@H](O)c1c[nH+]c(C)n1C 715028467 573856823 /nfs/dbraw/zinc/85/68/23/573856823.db2.gz JLRNZZHENYBJSL-KWQFWETISA-N 1 1 194.278 1.974 10 30 ADEEMO C=CC[C@@H](C)[C@H](O)Cn1cc[nH+]c1C 715028608 573857145 /nfs/dbraw/zinc/85/71/45/573857145.db2.gz ITFVHIQVTSLKIR-MWLCHTKSSA-N 1 1 194.278 1.765 10 30 ADEEMO C=CC[C@H](C)[N@H+](C)[C@H](CC)CO 715028748 573857272 /nfs/dbraw/zinc/85/72/72/573857272.db2.gz LYJIULKJLRKGBN-VHSXEESVSA-N 1 1 171.284 1.654 10 30 ADEEMO C=CC[N@@H+]1CCC(C)(C)[C@H](CCO)C1 259210957 573857471 /nfs/dbraw/zinc/85/74/71/573857471.db2.gz JRLZZBHXQOGDBN-LLVKDONJSA-N 1 1 197.322 1.903 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@H](C)[C@@H](O)C1 715025875 573858538 /nfs/dbraw/zinc/85/85/38/573858538.db2.gz UTFRQURRKSBENO-DCAQKATOSA-N 1 1 183.295 1.654 10 30 ADEEMO C=CC[N@@H+](CC)CCCC(=O)OC 308457110 573860075 /nfs/dbraw/zinc/86/00/75/573860075.db2.gz GJEVTUJEKOAVLC-UHFFFAOYSA-N 1 1 185.267 1.448 10 30 ADEEMO COc1cccc(C[NH2+]CS)c1 258974204 573858144 /nfs/dbraw/zinc/85/81/44/573858144.db2.gz VNLOSPNPVSRYDJ-UHFFFAOYSA-N 1 1 183.276 1.672 10 30 ADEEMO C=CC[N@@H+](C)C[C@@H](N)c1cccs1 131428361 573858326 /nfs/dbraw/zinc/85/83/26/573858326.db2.gz PDLCQGRZUGWTEL-SECBINFHSA-N 1 1 196.319 1.866 10 30 ADEEMO C=CC[N@H+](C)C[C@@H](N)c1cccs1 131428361 573858330 /nfs/dbraw/zinc/85/83/30/573858330.db2.gz PDLCQGRZUGWTEL-SECBINFHSA-N 1 1 196.319 1.866 10 30 ADEEMO Cc1ccc(C#N)c2[nH]c(N)[nH+]c12 238544012 573858476 /nfs/dbraw/zinc/85/84/76/573858476.db2.gz ZYSQXYNCKOUPIC-UHFFFAOYSA-N 1 1 172.191 1.325 10 30 ADEEMO Cc1ccc(C#N)c2[nH+]c(N)[nH]c12 238544012 573858479 /nfs/dbraw/zinc/85/84/79/573858479.db2.gz ZYSQXYNCKOUPIC-UHFFFAOYSA-N 1 1 172.191 1.325 10 30 ADEEMO CC[C@H](C#N)[C@@H]([NH3+])c1cccnc1 259214800 573860954 /nfs/dbraw/zinc/86/09/54/573860954.db2.gz DYWYXMXINQLNSY-PSASIEDQSA-N 1 1 175.235 1.631 10 30 ADEEMO CCCC[N@@H+](CC=O)C1CC1 43803463 573861142 /nfs/dbraw/zinc/86/11/42/573861142.db2.gz OPDKAWSDJVKVFC-UHFFFAOYSA-N 1 1 155.241 1.450 10 30 ADEEMO C=C[C@@H](C)[NH+]1CC(O)(C2CC2)C1 84376965 573861270 /nfs/dbraw/zinc/86/12/70/573861270.db2.gz XCACWEGDZSQCNZ-MRVPVSSYSA-N 1 1 167.252 1.018 10 30 ADEEMO C#CCCC[N@H+](C)[C@@H](CN)C1CC1 126734987 573861525 /nfs/dbraw/zinc/86/15/25/573861525.db2.gz KPCRGEKNCJZRIQ-NSHDSACASA-N 1 1 180.295 1.069 10 30 ADEEMO C#CCCCN(C)[C@@H](C[NH3+])C1CC1 126734987 573861528 /nfs/dbraw/zinc/86/15/28/573861528.db2.gz KPCRGEKNCJZRIQ-NSHDSACASA-N 1 1 180.295 1.069 10 30 ADEEMO Cc1ccn2c[nH+]cc2c1C#N 238540372 573864436 /nfs/dbraw/zinc/86/44/36/573864436.db2.gz CCAFRDUPHJWPOY-UHFFFAOYSA-N 1 1 157.176 1.514 10 30 ADEEMO CC[C@@H](C#N)[C@@H]([NH3+])c1cccnc1 259214810 573864901 /nfs/dbraw/zinc/86/49/01/573864901.db2.gz DYWYXMXINQLNSY-WCBMZHEXSA-N 1 1 175.235 1.631 10 30 ADEEMO N#CC1(C[NH2+]Cc2cc[nH]c2)CCC1 258975024 573864580 /nfs/dbraw/zinc/86/45/80/573864580.db2.gz UBSIUTGDKUHUIS-UHFFFAOYSA-N 1 1 189.262 1.798 10 30 ADEEMO CCC(CC)C[N@@H+](CC)CC=O 43803451 573864745 /nfs/dbraw/zinc/86/47/45/573864745.db2.gz RDNVOGITTCSUTO-UHFFFAOYSA-N 1 1 171.284 1.943 10 30 ADEEMO CC[C@H](C#N)[C@H]([NH3+])c1cccnc1 259214805 573864872 /nfs/dbraw/zinc/86/48/72/573864872.db2.gz DYWYXMXINQLNSY-SCZZXKLOSA-N 1 1 175.235 1.631 10 30 ADEEMO C=CC[N@@H+](C)CCNCC(F)(F)F 131433470 573872138 /nfs/dbraw/zinc/87/21/38/573872138.db2.gz QYMYVMBYFIKHPR-UHFFFAOYSA-N 1 1 196.216 1.256 10 30 ADEEMO N#CC[C@@H]1CCC[N@H+]2CCC[C@H]12 259575892 573871560 /nfs/dbraw/zinc/87/15/60/573871560.db2.gz DQKZFLXUZQYDRM-VHSXEESVSA-N 1 1 164.252 1.774 10 30 ADEEMO N#CC[C@H]1CCC[N@H+]2CCC[C@H]12 259575884 573872577 /nfs/dbraw/zinc/87/25/77/573872577.db2.gz DQKZFLXUZQYDRM-NXEZZACHSA-N 1 1 164.252 1.774 10 30 ADEEMO N#CC[C@H]1CCC[N@H+]2CCC[C@@H]12 259575897 573872743 /nfs/dbraw/zinc/87/27/43/573872743.db2.gz DQKZFLXUZQYDRM-ZJUUUORDSA-N 1 1 164.252 1.774 10 30 ADEEMO C#CC[N@H+](CC=C1CCC1)CCO 393566961 573874443 /nfs/dbraw/zinc/87/44/43/573874443.db2.gz UXUCTZIRPUKTGK-UHFFFAOYSA-N 1 1 179.263 1.024 10 30 ADEEMO C[N@@H+](C/C=C\CS)C1CC1 211630412 573875724 /nfs/dbraw/zinc/87/57/24/573875724.db2.gz MVUGCHFKTILZCA-IHWYPQMZSA-N 1 1 157.282 1.567 10 30 ADEEMO C=CCN(C)CCC1([NH3+])CCC1 131455229 573875382 /nfs/dbraw/zinc/87/53/82/573875382.db2.gz XBBXFKZOLZWHKG-UHFFFAOYSA-N 1 1 168.284 1.376 10 30 ADEEMO C=CC[C@H](C)[C@@]1(O)CC[N@H+](CC)C1 715036478 573875557 /nfs/dbraw/zinc/87/55/57/573875557.db2.gz ODOVPEIRBQLFHW-WDEREUQCSA-N 1 1 183.295 1.655 10 30 ADEEMO CC(C)(C)[C@H]([NH3+])c1nnc(CC#N)o1 238176728 573877404 /nfs/dbraw/zinc/87/74/04/573877404.db2.gz RUWPDMDPOJGANB-SSDOTTSWSA-N 1 1 194.238 1.182 10 30 ADEEMO C=CCN(C)C[C@]1(CC)CCC[NH2+]C1 131467188 573877647 /nfs/dbraw/zinc/87/76/47/573877647.db2.gz MAEWUNSKZZGKOK-GFCCVEGCSA-N 1 1 196.338 1.884 10 30 ADEEMO CCc1ccsc1CN/C(N)=[NH+]/O 87311415 573877674 /nfs/dbraw/zinc/87/76/74/573877674.db2.gz RPWXBKJLFOQKAK-UHFFFAOYSA-N 1 1 199.279 1.104 10 30 ADEEMO C=CCN(C)CC(C)(C)C(C)(C)[NH3+] 131468963 573879223 /nfs/dbraw/zinc/87/92/23/573879223.db2.gz MFIGKBZTTKVNAV-UHFFFAOYSA-N 1 1 184.327 1.868 10 30 ADEEMO C=C(C)C[N@H+](C)[C@H](C)CC(=O)NC 393567794 573879450 /nfs/dbraw/zinc/87/94/50/573879450.db2.gz PLLVCWISPUEMKT-SECBINFHSA-N 1 1 184.283 1.019 10 30 ADEEMO C=C(C)C[N@H+](C)[C@@H](C)CC(=O)NC 393567795 573879786 /nfs/dbraw/zinc/87/97/86/573879786.db2.gz PLLVCWISPUEMKT-VIFPVBQESA-N 1 1 184.283 1.019 10 30 ADEEMO C[N@H+]1CCC[C@H](c2cc(C#N)no2)C1 259217546 573879803 /nfs/dbraw/zinc/87/98/03/573879803.db2.gz JDBABGQBNJVJCJ-QMMMGPOBSA-N 1 1 191.234 1.355 10 30 ADEEMO N#CCCNc1ccc2[nH]c[nH+]c2c1 258981867 573880715 /nfs/dbraw/zinc/88/07/15/573880715.db2.gz WKXCPZOBAKZPRK-UHFFFAOYSA-N 1 1 186.218 1.888 10 30 ADEEMO N#CC1([NH3+])C[C@H]2CC=CC[C@@H]2C1 238553591 573880854 /nfs/dbraw/zinc/88/08/54/573880854.db2.gz RNXNYSRUQIQOQL-RKDXNWHRSA-N 1 1 162.236 1.584 10 30 ADEEMO CC(C)[N@H+]1CC[C@@H](CC#CC=O)C1 258170366 573881061 /nfs/dbraw/zinc/88/10/61/573881061.db2.gz LJZRAMMCADDFQN-LLVKDONJSA-N 1 1 179.263 1.309 10 30 ADEEMO C[N@H+]1CCC[C@H]([C@H]2C[C@H]2C#N)C1 258986716 573883261 /nfs/dbraw/zinc/88/32/61/573883261.db2.gz AJGQGBSSSPPKBB-LPEHRKFASA-N 1 1 164.252 1.488 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@@H](O)C[C@@H]1C 715044391 573883753 /nfs/dbraw/zinc/88/37/53/573883753.db2.gz WLIANCHWQUVJLQ-GARJFASQSA-N 1 1 183.295 1.796 10 30 ADEEMO C/C(=N\O)[C@@H](C)[NH2+]Cc1ccccn1 144783558 573885565 /nfs/dbraw/zinc/88/55/65/573885565.db2.gz JTQMRSOPZZINLW-AHWGFSDVSA-N 1 1 193.250 1.410 10 30 ADEEMO C=C[C@@H]([NH3+])[C@@H](N)c1ccccc1 238561225 573889450 /nfs/dbraw/zinc/88/94/50/573889450.db2.gz ITCZTYQBLQPBCJ-ZJUUUORDSA-N 1 1 162.236 1.200 10 30 ADEEMO C=CC[C@H](C)[N@@H+]1C[C@H](C)[C@@](C)(CN)C1 715051200 573893871 /nfs/dbraw/zinc/89/38/71/573893871.db2.gz BBGYQCQTMGTNDL-SRVKXCTJSA-N 1 1 196.338 1.868 10 30 ADEEMO C=CC[C@H](C)[N@H+]1C[C@H](C)[C@@](C)(CN)C1 715051200 573893876 /nfs/dbraw/zinc/89/38/76/573893876.db2.gz BBGYQCQTMGTNDL-SRVKXCTJSA-N 1 1 196.338 1.868 10 30 ADEEMO CC[C@H](C)[N@H+]1CC[C@H](C#N)C1 84426714 573893279 /nfs/dbraw/zinc/89/32/79/573893279.db2.gz GLJNVLBVLKNJKK-DTWKUNHWSA-N 1 1 152.241 1.630 10 30 ADEEMO C=CC[N@@H+](C[C@@H]1CC[NH2+][C@@H]1C)C(C)C 131619946 573893317 /nfs/dbraw/zinc/89/33/17/573893317.db2.gz BNLMZVXPNVNIAW-NEPJUHHUSA-N 1 1 196.338 1.881 10 30 ADEEMO CCC[N@@H+](C)CCS 80354160 573893440 /nfs/dbraw/zinc/89/34/40/573893440.db2.gz VELZCYOROVANRQ-UHFFFAOYSA-N 1 1 133.260 1.258 10 30 ADEEMO CC(C)[N@@H+]1CCSC[C@@H]1CC#N 259577662 573893475 /nfs/dbraw/zinc/89/34/75/573893475.db2.gz BDBBGQOVFHXVNB-VIFPVBQESA-N 1 1 184.308 1.726 10 30 ADEEMO CC(C)[N@H+]1CCSC[C@@H]1CC#N 259577662 573893479 /nfs/dbraw/zinc/89/34/79/573893479.db2.gz BDBBGQOVFHXVNB-VIFPVBQESA-N 1 1 184.308 1.726 10 30 ADEEMO CC(C)[N@H+]1CC[C@H](CC#N)C1 84426719 573893555 /nfs/dbraw/zinc/89/35/55/573893555.db2.gz IIMPKMGMNFVVHY-VIFPVBQESA-N 1 1 152.241 1.630 10 30 ADEEMO CN(CC(C)(C)C#N)[C@@H]1CC[N@@H+](C)C1 258988657 573894961 /nfs/dbraw/zinc/89/49/61/573894961.db2.gz XDHNHPJVTRKDSA-SNVBAGLBSA-N 1 1 195.310 1.172 10 30 ADEEMO COCCC(N)=[NH+]OCC1CCC1 308460886 573895173 /nfs/dbraw/zinc/89/51/73/573895173.db2.gz HLQGIVLYMTURMO-UHFFFAOYSA-N 1 1 186.255 1.112 10 30 ADEEMO C=CC[C@H](C)[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 715051198 573895190 /nfs/dbraw/zinc/89/51/90/573895190.db2.gz BBGYQCQTMGTNDL-GRYCIOLGSA-N 1 1 196.338 1.868 10 30 ADEEMO C=CC[C@H](C)[N@H+]1C[C@@H](C)[C@](C)(CN)C1 715051198 573895196 /nfs/dbraw/zinc/89/51/96/573895196.db2.gz BBGYQCQTMGTNDL-GRYCIOLGSA-N 1 1 196.338 1.868 10 30 ADEEMO C=CC[N@@H+](C[C@@H]1CC[NH2+][C@H]1C)C(C)C 131620155 573895436 /nfs/dbraw/zinc/89/54/36/573895436.db2.gz BNLMZVXPNVNIAW-RYUDHWBXSA-N 1 1 196.338 1.881 10 30 ADEEMO CC(C)=Cc1nnc([C@H]([NH3+])CS)o1 238174770 573895457 /nfs/dbraw/zinc/89/54/57/573895457.db2.gz CLEBHMPXKNYVFN-ZCFIWIBFSA-N 1 1 199.279 1.422 10 30 ADEEMO C#CC[C@@H]([NH3+])c1nnc(C=C(C)C)o1 238174692 573896755 /nfs/dbraw/zinc/89/67/55/573896755.db2.gz BOQROVCRHMTBPY-MRVPVSSYSA-N 1 1 191.234 1.516 10 30 ADEEMO C=CC[C@H](C)[N@@H+](C)C(C)(C)CN 715052027 573896130 /nfs/dbraw/zinc/89/61/30/573896130.db2.gz GQFONGCKEBYICL-VIFPVBQESA-N 1 1 170.300 1.620 10 30 ADEEMO C=CC[N@@H+](CC1([NH3+])CC1)C(C)C 131623813 573896177 /nfs/dbraw/zinc/89/61/77/573896177.db2.gz ZRYNQZVLGACOTK-UHFFFAOYSA-N 1 1 168.284 1.374 10 30 ADEEMO C=CC[N@H+](CC1(N)CC1)C(C)C 131623813 573896181 /nfs/dbraw/zinc/89/61/81/573896181.db2.gz ZRYNQZVLGACOTK-UHFFFAOYSA-N 1 1 168.284 1.374 10 30 ADEEMO C=CC[N@@H+](CC1(N)CC1)C(C)C 131623813 573896185 /nfs/dbraw/zinc/89/61/85/573896185.db2.gz ZRYNQZVLGACOTK-UHFFFAOYSA-N 1 1 168.284 1.374 10 30 ADEEMO C=CC[N@H+](C[C@H]([NH3+])CC)C(C)C 131629973 573896277 /nfs/dbraw/zinc/89/62/77/573896277.db2.gz PLMRPWPRAGYRHG-SNVBAGLBSA-N 1 1 170.300 1.620 10 30 ADEEMO C=CC[N@H+](C[C@H]([NH3+])C(C)C)C(C)C 131614998 573896404 /nfs/dbraw/zinc/89/64/04/573896404.db2.gz ZMZPZSQFDRFFPA-NSHDSACASA-N 1 1 184.327 1.866 10 30 ADEEMO CN(CC(C)(C)C#N)[C@H]1CC[N@@H+](C)C1 258988655 573896493 /nfs/dbraw/zinc/89/64/93/573896493.db2.gz XDHNHPJVTRKDSA-JTQLQIEISA-N 1 1 195.310 1.172 10 30 ADEEMO C=CC[N@H+](C[C@H](C)C[NH2+]C)C(C)C 131631647 573896558 /nfs/dbraw/zinc/89/65/58/573896558.db2.gz PKPWKZYXILYAEW-LLVKDONJSA-N 1 1 184.327 1.738 10 30 ADEEMO C=CCN(CC)C[C@H](C)C[NH2+]CC 131535834 573898018 /nfs/dbraw/zinc/89/80/18/573898018.db2.gz JYDHIMSKCKONOX-LLVKDONJSA-N 1 1 184.327 1.740 10 30 ADEEMO C=CC[C@H](C)N1CC[C@H]2C[NH2+]C[C@@H]2C1 715051464 573898307 /nfs/dbraw/zinc/89/83/07/573898307.db2.gz CIAAQJBJAXFOKS-SDDRHHMPSA-N 1 1 194.322 1.492 10 30 ADEEMO C=C[C@H](C)[C@H]([NH2+]CCC)C(=O)OC 308460963 573900254 /nfs/dbraw/zinc/90/02/54/573900254.db2.gz HMNPBXUFVMCEOD-IUCAKERBSA-N 1 1 185.267 1.350 10 30 ADEEMO C[N@H+]1CC[C@H](c2nc(C#N)cs2)C1 259230391 573900384 /nfs/dbraw/zinc/90/03/84/573900384.db2.gz JCWYYQCNZROANC-ZETCQYMHSA-N 1 1 193.275 1.434 10 30 ADEEMO C[C@H]1C[N@@H+](CCC[C@H]2CO2)CCCO1 308461008 573900414 /nfs/dbraw/zinc/90/04/14/573900414.db2.gz DFTWUXHDWRLKBR-QWRGUYRKSA-N 1 1 199.294 1.276 10 30 ADEEMO C[C@H]1C[N@@H+](CCC[C@@H]2CO2)CCCO1 308461009 573900451 /nfs/dbraw/zinc/90/04/51/573900451.db2.gz DFTWUXHDWRLKBR-WDEREUQCSA-N 1 1 199.294 1.276 10 30 ADEEMO C=CC[C@H](C)N1CC[C@H]2C[NH2+]C[C@H]2C1 715051470 573900861 /nfs/dbraw/zinc/90/08/61/573900861.db2.gz CIAAQJBJAXFOKS-SRVKXCTJSA-N 1 1 194.322 1.492 10 30 ADEEMO C[N@H+]1CC[C@@H](c2nc(C#N)cs2)C1 259230388 573900960 /nfs/dbraw/zinc/90/09/60/573900960.db2.gz JCWYYQCNZROANC-SSDOTTSWSA-N 1 1 193.275 1.434 10 30 ADEEMO CC(C)[N@@H+]1CC=C(CS)CC1 257903566 573901840 /nfs/dbraw/zinc/90/18/40/573901840.db2.gz ATPRPOLYPPTTJM-UHFFFAOYSA-N 1 1 171.309 1.957 10 30 ADEEMO C[C@]1(O)CC[N@H+]([C@@H]2CCC[C@@H]2C#N)C1 235769554 573901952 /nfs/dbraw/zinc/90/19/52/573901952.db2.gz VFHDDBSFQRFEEB-MXWKQRLJSA-N 1 1 194.278 1.135 10 30 ADEEMO C=CC[N@H+](CCC)CC1([NH3+])CCC1 131550594 573901960 /nfs/dbraw/zinc/90/19/60/573901960.db2.gz RRGDENNLAWHOMQ-UHFFFAOYSA-N 1 1 182.311 1.766 10 30 ADEEMO CC[C@@H](C/C(N)=N/O)[N@@H+](C)C1CCC1 127462004 573902631 /nfs/dbraw/zinc/90/26/31/573902631.db2.gz AIVUBLFSUSXKFT-QMMMGPOBSA-N 1 1 199.298 1.386 10 30 ADEEMO C=C[C@@H](C)[C@H]([NH2+]CCC)C(=O)OC 308460948 573902352 /nfs/dbraw/zinc/90/23/52/573902352.db2.gz HMNPBXUFVMCEOD-BDAKNGLRSA-N 1 1 185.267 1.350 10 30 ADEEMO C[NH2+][C@H](S)c1ccc[nH]1 259225264 573902435 /nfs/dbraw/zinc/90/24/35/573902435.db2.gz GGXDLXZUGZXIIQ-ZCFIWIBFSA-N 1 1 142.227 1.163 10 30 ADEEMO C[N@H+]1CCC[C@H](C(=O)CCS)C1 259226566 573904168 /nfs/dbraw/zinc/90/41/68/573904168.db2.gz RVDGBFIHLRXUDP-QMMMGPOBSA-N 1 1 187.308 1.217 10 30 ADEEMO CC[C@H](C#N)CN[C@@H]1CCC[N@H+](C)C1 258998027 573904330 /nfs/dbraw/zinc/90/43/30/573904330.db2.gz NNONKPJUVXCZHP-GHMZBOCLSA-N 1 1 195.310 1.220 10 30 ADEEMO CC[C@H](C#N)CN[C@@H]1CCC[N@@H+](C)C1 258998027 573904336 /nfs/dbraw/zinc/90/43/36/573904336.db2.gz NNONKPJUVXCZHP-GHMZBOCLSA-N 1 1 195.310 1.220 10 30 ADEEMO C=CC[N@H+](CCC)C[C@@H]1CC[NH2+]C1 131558827 573904727 /nfs/dbraw/zinc/90/47/27/573904727.db2.gz IXKFEOUXYINPDF-LLVKDONJSA-N 1 1 182.311 1.494 10 30 ADEEMO C=CCN1CC[C@H]([NH2+]C)CC1(C)C 259228958 573906898 /nfs/dbraw/zinc/90/68/98/573906898.db2.gz DHZPPXCRIAIMGG-JTQLQIEISA-N 1 1 182.311 1.635 10 30 ADEEMO C=C(C[NH2+]C)[C@@H]1CCCC[N@@H+]1CC 258178187 573906095 /nfs/dbraw/zinc/90/60/95/573906095.db2.gz LXFZYMLQWKJKBD-NSHDSACASA-N 1 1 182.311 1.636 10 30 ADEEMO C=C(C[NH2+]C)[C@@H]1CCCCN1CC 258178187 573906098 /nfs/dbraw/zinc/90/60/98/573906098.db2.gz LXFZYMLQWKJKBD-NSHDSACASA-N 1 1 182.311 1.636 10 30 ADEEMO C=C(CNC)[C@@H]1CCCC[N@H+]1CC 258178187 573906102 /nfs/dbraw/zinc/90/61/02/573906102.db2.gz LXFZYMLQWKJKBD-NSHDSACASA-N 1 1 182.311 1.636 10 30 ADEEMO C=C(CNC)[C@@H]1CCCC[N@@H+]1CC 258178187 573906108 /nfs/dbraw/zinc/90/61/08/573906108.db2.gz LXFZYMLQWKJKBD-NSHDSACASA-N 1 1 182.311 1.636 10 30 ADEEMO C[N@@H+](CC1(C#N)CC1)C1CCOCC1 259001305 573906285 /nfs/dbraw/zinc/90/62/85/573906285.db2.gz WKSQLGPCQCAPMJ-UHFFFAOYSA-N 1 1 194.278 1.401 10 30 ADEEMO C=CC[N@H+](CCC)C[C@@]1(N)CCOC1 131555900 573906354 /nfs/dbraw/zinc/90/63/54/573906354.db2.gz AXVCIVWGQLBUNX-NSHDSACASA-N 1 1 198.310 1.002 10 30 ADEEMO C=CCN(CCC)C[C@@]1([NH3+])CCOC1 131555900 573906360 /nfs/dbraw/zinc/90/63/60/573906360.db2.gz AXVCIVWGQLBUNX-NSHDSACASA-N 1 1 198.310 1.002 10 30 ADEEMO C=CC[N@@H+]1CCC[C@H](O)C1(C)C 259234227 573906631 /nfs/dbraw/zinc/90/66/31/573906631.db2.gz DOIDSUGTRWPJCS-VIFPVBQESA-N 1 1 169.268 1.408 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@@](C)(CO)C1 715057325 573908350 /nfs/dbraw/zinc/90/83/50/573908350.db2.gz GTGSJVQAKXPYFC-WDEREUQCSA-N 1 1 183.295 1.655 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@H](O)C1 715058276 573908447 /nfs/dbraw/zinc/90/84/47/573908447.db2.gz NWXFFODLSNCLAS-IUCAKERBSA-N 1 1 155.241 1.018 10 30 ADEEMO C=CCN1CC[C@@H]([NH2+]C)CC1(C)C 259228962 573908497 /nfs/dbraw/zinc/90/84/97/573908497.db2.gz DHZPPXCRIAIMGG-SNVBAGLBSA-N 1 1 182.311 1.635 10 30 ADEEMO C#CC[NH2+][C@@](C)(CN)CCC(C)(C)C 393653771 573908657 /nfs/dbraw/zinc/90/86/57/573908657.db2.gz BNKGHOKBKMYPHW-GFCCVEGCSA-N 1 1 196.338 1.753 10 30 ADEEMO C#C[C@@]1(O)CCC[N@H+]([C@@H](C)CC=C)C1 715058394 573909007 /nfs/dbraw/zinc/90/90/07/573909007.db2.gz PIFAJUNKKNKBMW-NWDGAFQWSA-N 1 1 193.290 1.411 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CC[C@@H](O)C1 715058277 573909027 /nfs/dbraw/zinc/90/90/27/573909027.db2.gz NWXFFODLSNCLAS-RKDXNWHRSA-N 1 1 155.241 1.018 10 30 ADEEMO C=CC[C@H](C)[N@H+](C)C[C@@H](C)O 715057698 573910104 /nfs/dbraw/zinc/91/01/04/573910104.db2.gz INQWAYMDLCGHKZ-DTWKUNHWSA-N 1 1 157.257 1.264 10 30 ADEEMO C=CC[C@@H](C)[N@H+](C)C[C@H](C)O 715057691 573910199 /nfs/dbraw/zinc/91/01/99/573910199.db2.gz INQWAYMDLCGHKZ-BDAKNGLRSA-N 1 1 157.257 1.264 10 30 ADEEMO C=CCN(C[C@H](C)[NH3+])C(C)(C)C 131713347 573910516 /nfs/dbraw/zinc/91/05/16/573910516.db2.gz XBWLSIHJMRIHKJ-VIFPVBQESA-N 1 1 170.300 1.620 10 30 ADEEMO C=CC[N@@H+](C[C@H](C)N)C(C)(C)C 131713347 573910523 /nfs/dbraw/zinc/91/05/23/573910523.db2.gz XBWLSIHJMRIHKJ-VIFPVBQESA-N 1 1 170.300 1.620 10 30 ADEEMO C=CC[N@H+](C[C@H](C)N)C(C)(C)C 131713347 573910526 /nfs/dbraw/zinc/91/05/26/573910526.db2.gz XBWLSIHJMRIHKJ-VIFPVBQESA-N 1 1 170.300 1.620 10 30 ADEEMO C#CCNCC[N@H+](CC=C)C(C)(C)C 131718927 573910812 /nfs/dbraw/zinc/91/08/12/573910812.db2.gz QCJMITYHHRKQDX-UHFFFAOYSA-N 1 1 194.322 1.496 10 30 ADEEMO C#CCNCC[N@@H+](CC=C)C(C)(C)C 131718927 573910815 /nfs/dbraw/zinc/91/08/15/573910815.db2.gz QCJMITYHHRKQDX-UHFFFAOYSA-N 1 1 194.322 1.496 10 30 ADEEMO C=CC[C@H](C)[N@H+](C)C[C@H](C)O 715057700 573910881 /nfs/dbraw/zinc/91/08/81/573910881.db2.gz INQWAYMDLCGHKZ-IUCAKERBSA-N 1 1 157.257 1.264 10 30 ADEEMO C=CC[C@@H](C)[N@H+](C)C[C@@H](C)O 715057701 573910940 /nfs/dbraw/zinc/91/09/40/573910940.db2.gz INQWAYMDLCGHKZ-RKDXNWHRSA-N 1 1 157.257 1.264 10 30 ADEEMO C=CC[N@@H+](CCN)C(C)(C)C 131699633 573911045 /nfs/dbraw/zinc/91/10/45/573911045.db2.gz JPVIBKHXLOWLKU-UHFFFAOYSA-N 1 1 156.273 1.232 10 30 ADEEMO C=CC[N@H+](CCN)C(C)(C)C 131699633 573911049 /nfs/dbraw/zinc/91/10/49/573911049.db2.gz JPVIBKHXLOWLKU-UHFFFAOYSA-N 1 1 156.273 1.232 10 30 ADEEMO N#CC[C@@H]1CC[N@H+]2C[C@H]3C[C@H]3[C@@H]2C1 259581250 573911093 /nfs/dbraw/zinc/91/10/93/573911093.db2.gz FFTAXVKOISKKDF-DBIOUOCHSA-N 1 1 176.263 1.630 10 30 ADEEMO CC(C)[C@H]([NH3+])c1c[nH]c(=O)c(C#N)c1 238183868 573911296 /nfs/dbraw/zinc/91/12/96/573911296.db2.gz QLWQDYDIUZFMLA-VIFPVBQESA-N 1 1 191.234 1.315 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@@H](O)C1 715058275 573912845 /nfs/dbraw/zinc/91/28/45/573912845.db2.gz NWXFFODLSNCLAS-DTWKUNHWSA-N 1 1 155.241 1.018 10 30 ADEEMO CC[C@@H](C#N)N[C@H]1CC[N@H+](C2CC2)C1 44721189 573913154 /nfs/dbraw/zinc/91/31/54/573913154.db2.gz MMZDMCHTLBRGNX-UWVGGRQHSA-N 1 1 193.294 1.115 10 30 ADEEMO C=CC[N@H+](CC1(C[NH3+])CCC1)C1CC1 131662177 573913230 /nfs/dbraw/zinc/91/32/30/573913230.db2.gz MRSRYUCQESHECU-UHFFFAOYSA-N 1 1 194.322 1.766 10 30 ADEEMO C=CCN(CC1(C[NH3+])CCC1)C1CC1 131662177 573913237 /nfs/dbraw/zinc/91/32/37/573913237.db2.gz MRSRYUCQESHECU-UHFFFAOYSA-N 1 1 194.322 1.766 10 30 ADEEMO CN1CCC[C@H](C[NH2+]CCCC#N)C1 44537244 573916534 /nfs/dbraw/zinc/91/65/34/573916534.db2.gz RPLBLJBMCGTQKT-LLVKDONJSA-N 1 1 195.310 1.222 10 30 ADEEMO C[C@@H](CC#N)NC[C@@H]1CCCC[N@H+]1C 44562432 573916590 /nfs/dbraw/zinc/91/65/90/573916590.db2.gz QSTLWUYCCPSVHK-QWRGUYRKSA-N 1 1 195.310 1.362 10 30 ADEEMO C[C@@H](CC#N)[NH2+]C[C@@H]1CCCCN1C 44562432 573916594 /nfs/dbraw/zinc/91/65/94/573916594.db2.gz QSTLWUYCCPSVHK-QWRGUYRKSA-N 1 1 195.310 1.362 10 30 ADEEMO C[C@H](CC#N)N[C@H]1CC[N@H+](C2CC2)C1 44722360 573916611 /nfs/dbraw/zinc/91/66/11/573916611.db2.gz DZPGOSCVLKMMRZ-ZJUUUORDSA-N 1 1 193.294 1.115 10 30 ADEEMO C[C@H](CC#N)[NH2+][C@H]1CCN(C2CC2)C1 44722360 573916617 /nfs/dbraw/zinc/91/66/17/573916617.db2.gz DZPGOSCVLKMMRZ-ZJUUUORDSA-N 1 1 193.294 1.115 10 30 ADEEMO CC[C@H](C#N)NC[C@H]1CCCC[N@H+]1C 44562845 573916714 /nfs/dbraw/zinc/91/67/14/573916714.db2.gz TZESIWBRIKLHKT-GHMZBOCLSA-N 1 1 195.310 1.362 10 30 ADEEMO [NH3+][C@@H](C=O)c1ccc2c(c1)CCCO2 259236269 573916914 /nfs/dbraw/zinc/91/69/14/573916914.db2.gz HNXBDARHLJANJP-JTQLQIEISA-N 1 1 191.230 1.210 10 30 ADEEMO CC[C@H](C#N)N[C@@H]1CC[N@H+](C2CC2)C1 44721186 573916954 /nfs/dbraw/zinc/91/69/54/573916954.db2.gz MMZDMCHTLBRGNX-NXEZZACHSA-N 1 1 193.294 1.115 10 30 ADEEMO C[N@@H+](CS)CCC1CCC1 259006368 573917052 /nfs/dbraw/zinc/91/70/52/573917052.db2.gz ZOJHRRPEVMHSNA-UHFFFAOYSA-N 1 1 159.298 1.996 10 30 ADEEMO C#C[C@@H]([NH2+]CCC)c1ncccc1F 131676051 573917101 /nfs/dbraw/zinc/91/71/01/573917101.db2.gz FDVAYMRYERPNLM-SNVBAGLBSA-N 1 1 192.237 1.895 10 30 ADEEMO CO[C@H](C=O)[C@@H]1CCC[N@H+](C2CC2)C1 257899336 573918602 /nfs/dbraw/zinc/91/86/02/573918602.db2.gz YLBFHRXXSUQTQH-MWLCHTKSSA-N 1 1 197.278 1.075 10 30 ADEEMO C=CC[C@H](C)[N@@H+](C)C[C@@H](O)C1CC1 715058286 573918773 /nfs/dbraw/zinc/91/87/73/573918773.db2.gz NXQJFXIEJDNRMP-GXSJLCMTSA-N 1 1 183.295 1.654 10 30 ADEEMO N#CC[C@@H]([NH3+])c1ccc2[nH]cnc2c1 259006635 573918905 /nfs/dbraw/zinc/91/89/05/573918905.db2.gz HIHCDWOGYRXLMQ-MRVPVSSYSA-N 1 1 186.218 1.476 10 30 ADEEMO N#CC[C@@H]([NH3+])c1ccc2nc[nH]c2c1 259006635 573918911 /nfs/dbraw/zinc/91/89/11/573918911.db2.gz HIHCDWOGYRXLMQ-MRVPVSSYSA-N 1 1 186.218 1.476 10 30 ADEEMO CC[C@@H](CC#N)[N@H+]1C[C@@H](O)[C@H](CC)C1 400040009 573918946 /nfs/dbraw/zinc/91/89/46/573918946.db2.gz MNKPHCSXCNBFCH-OUAUKWLOSA-N 1 1 196.294 1.381 10 30 ADEEMO C=CCOCCC[N@@H+]1C[C@H](C)[C@@H]1C 393495947 573921135 /nfs/dbraw/zinc/92/11/35/573921135.db2.gz XHKPLPQCOZVKBI-QWRGUYRKSA-N 1 1 183.295 1.919 10 30 ADEEMO N#CC[C@H]([NH3+])c1ccc2[nH]cnc2c1 259006641 573920290 /nfs/dbraw/zinc/92/02/90/573920290.db2.gz HIHCDWOGYRXLMQ-QMMMGPOBSA-N 1 1 186.218 1.476 10 30 ADEEMO N#CC[C@H]([NH3+])c1ccc2nc[nH]c2c1 259006641 573920295 /nfs/dbraw/zinc/92/02/95/573920295.db2.gz HIHCDWOGYRXLMQ-QMMMGPOBSA-N 1 1 186.218 1.476 10 30 ADEEMO C=CCN(C[C@@H]1CC[NH2+][C@H]1C)C1CC1 131670286 573920427 /nfs/dbraw/zinc/92/04/27/573920427.db2.gz DMYQSWRNEAHHNF-QWRGUYRKSA-N 1 1 194.322 1.635 10 30 ADEEMO C=CCN(C[C@H]1CC[NH2+][C@@H]1C)C1CC1 131670529 573920670 /nfs/dbraw/zinc/92/06/70/573920670.db2.gz DMYQSWRNEAHHNF-GHMZBOCLSA-N 1 1 194.322 1.635 10 30 ADEEMO C[N@H+]1CC[C@@H]2C[C@@H](C#N)C[C@@H]2C1 259582261 573920777 /nfs/dbraw/zinc/92/07/77/573920777.db2.gz KJTKEDAIQSQOAY-OPRDCNLKSA-N 1 1 164.252 1.488 10 30 ADEEMO CC[C@@H](CC#N)[N@H+]1C[C@H](O)[C@H](CC)C1 400040010 573920907 /nfs/dbraw/zinc/92/09/07/573920907.db2.gz MNKPHCSXCNBFCH-VWYCJHECSA-N 1 1 196.294 1.381 10 30 ADEEMO C=CCN(CC1(C[NH3+])CC1)C1CC1 131662624 573922074 /nfs/dbraw/zinc/92/20/74/573922074.db2.gz AIXDIKHNVHRLTD-UHFFFAOYSA-N 1 1 180.295 1.376 10 30 ADEEMO CC[C@@H]1C[N@@H+]([C@H](CC)CC#N)C[C@@H]1O 400040007 573922088 /nfs/dbraw/zinc/92/20/88/573922088.db2.gz MNKPHCSXCNBFCH-MXWKQRLJSA-N 1 1 196.294 1.381 10 30 ADEEMO CC[N@H+]1CCC[C@H]([C@@H](F)C=O)C1 257900484 573922305 /nfs/dbraw/zinc/92/23/05/573922305.db2.gz OVUKXKYMTXKGNA-IUCAKERBSA-N 1 1 173.231 1.255 10 30 ADEEMO C[N@H+]1CC[C@@H]2C[C@H](C#N)C[C@@H]2C1 259582259 573922402 /nfs/dbraw/zinc/92/24/02/573922402.db2.gz KJTKEDAIQSQOAY-IVZWLZJFSA-N 1 1 164.252 1.488 10 30 ADEEMO F[C@H]1CC[N@H+](C/C=C\CS)C1 689897823 573922757 /nfs/dbraw/zinc/92/27/57/573922757.db2.gz ADAOPNZYPJWQEB-JQSQLHRZSA-N 1 1 175.272 1.516 10 30 ADEEMO F[C@H]1CC[N@@H+](C/C=C\CS)C1 689897823 573922764 /nfs/dbraw/zinc/92/27/64/573922764.db2.gz ADAOPNZYPJWQEB-JQSQLHRZSA-N 1 1 175.272 1.516 10 30 ADEEMO C[N@H+]1CC[C@@H](CC2(C#N)CC2)C1 259008517 573923598 /nfs/dbraw/zinc/92/35/98/573923598.db2.gz BYJFTLYJRQYRCO-VIFPVBQESA-N 1 1 164.252 1.632 10 30 ADEEMO CCCC[N@@H+](CCO)C[C@H](C)C#N 42207042 573923662 /nfs/dbraw/zinc/92/36/62/573923662.db2.gz ZAIOPLBJBFOINK-SNVBAGLBSA-N 1 1 184.283 1.240 10 30 ADEEMO C#C[C@H]([NH2+]CCC)c1ncccc1F 131675823 573923723 /nfs/dbraw/zinc/92/37/23/573923723.db2.gz FDVAYMRYERPNLM-JTQLQIEISA-N 1 1 192.237 1.895 10 30 ADEEMO CC[N@H+]1CCC[C@@H]([C@H](F)C=O)C1 257900486 573924026 /nfs/dbraw/zinc/92/40/26/573924026.db2.gz OVUKXKYMTXKGNA-RKDXNWHRSA-N 1 1 173.231 1.255 10 30 ADEEMO Cc1[nH+]cn(C/C=C\CS)c1C 211601148 573930623 /nfs/dbraw/zinc/93/06/23/573930623.db2.gz KKAZRSZLONFUHC-ARJAWSKDSA-N 1 1 182.292 1.986 10 30 ADEEMO CN(C)CCC[NH2+]CCCCC#N 42222126 573930629 /nfs/dbraw/zinc/93/06/29/573930629.db2.gz RMPXWCVPESZMDI-UHFFFAOYSA-N 1 1 183.299 1.222 10 30 ADEEMO C=CC[C@@H](C)[N@H+](CCN)C(C)C 715067475 573930172 /nfs/dbraw/zinc/93/01/72/573930172.db2.gz ASQMNZABQAWVDV-SNVBAGLBSA-N 1 1 170.300 1.620 10 30 ADEEMO C[N@H+]1CC[C@H]([C@H]2C[C@]2(C)C#N)C1 259015206 573930276 /nfs/dbraw/zinc/93/02/76/573930276.db2.gz OUZUADUHAZYXLT-IVZWLZJFSA-N 1 1 164.252 1.488 10 30 ADEEMO C[N@H+]1CC[C@H]([C@H]2C[C@@]2(C)C#N)C1 259015202 573930533 /nfs/dbraw/zinc/93/05/33/573930533.db2.gz OUZUADUHAZYXLT-AEJSXWLSSA-N 1 1 164.252 1.488 10 30 ADEEMO C#CC[N@H+](CCOC)[C@H](C)CC 42250952 573930548 /nfs/dbraw/zinc/93/05/48/573930548.db2.gz USUFXQHBGFSUOR-SNVBAGLBSA-N 1 1 169.268 1.367 10 30 ADEEMO C=CC[C@@H]([NH3+])c1nc(C(C)C)no1 127741347 573931942 /nfs/dbraw/zinc/93/19/42/573931942.db2.gz LVHDRTGMYHMRJL-SSDOTTSWSA-N 1 1 181.239 1.769 10 30 ADEEMO C[N@H+]1CC[C@H]([C@@H]2C[C@]2(C)C#N)C1 259015208 573931945 /nfs/dbraw/zinc/93/19/45/573931945.db2.gz OUZUADUHAZYXLT-LPEHRKFASA-N 1 1 164.252 1.488 10 30 ADEEMO OCC[N@@H+](CCC[C@@H]1CO1)C1CCC1 308465522 573931967 /nfs/dbraw/zinc/93/19/67/573931967.db2.gz GCHYNYSEDFVCDL-LLVKDONJSA-N 1 1 199.294 1.012 10 30 ADEEMO C[N@@H+](CC[C@@](C)(N)C#N)C1CCC1 127737472 573932098 /nfs/dbraw/zinc/93/20/98/573932098.db2.gz PSDOMXXJAPEHOE-SNVBAGLBSA-N 1 1 181.283 1.102 10 30 ADEEMO C[N@H+](C[C@@](N)(C#N)C1CC1)C1CCC1 127748431 573932119 /nfs/dbraw/zinc/93/21/19/573932119.db2.gz XRPIRHZCCQMHTH-NSHDSACASA-N 1 1 193.294 1.102 10 30 ADEEMO C[N@@H+](C[C@@](N)(C#N)C1CC1)C1CCC1 127748431 573932127 /nfs/dbraw/zinc/93/21/27/573932127.db2.gz XRPIRHZCCQMHTH-NSHDSACASA-N 1 1 193.294 1.102 10 30 ADEEMO N#CC[C@H]1CCC[N@H+]1[C@H]1CCCOC1 259586272 573932266 /nfs/dbraw/zinc/93/22/66/573932266.db2.gz BXJJVRQOAIBLSO-MNOVXSKESA-N 1 1 194.278 1.543 10 30 ADEEMO CN[C@@](C)(C#N)CC[N@@H+](C)C1CCC1 127733045 573932306 /nfs/dbraw/zinc/93/23/06/573932306.db2.gz OTWXADJFEFKRMA-LLVKDONJSA-N 1 1 195.310 1.362 10 30 ADEEMO CC[N@H+]1C[C@@H](C#N)CC1(C)C 259585235 573932321 /nfs/dbraw/zinc/93/23/21/573932321.db2.gz ZQJDKMHTYPZPNH-MRVPVSSYSA-N 1 1 152.241 1.630 10 30 ADEEMO CCN[C@@H](C#N)CC[N@@H+](C)C1CCC1 127741522 573932567 /nfs/dbraw/zinc/93/25/67/573932567.db2.gz YIDYGDXEEDTWPK-SNVBAGLBSA-N 1 1 195.310 1.362 10 30 ADEEMO C[C@@H](C[C@@](C)(N)C#N)[N@@H+](C)C1CCC1 127735490 573932595 /nfs/dbraw/zinc/93/25/95/573932595.db2.gz AWLMESDKBDUBGY-GXSJLCMTSA-N 1 1 195.310 1.490 10 30 ADEEMO N#CC[C@@H]1CCC[N@H+]1[C@@H]1CCCOC1 259586276 573933764 /nfs/dbraw/zinc/93/37/64/573933764.db2.gz BXJJVRQOAIBLSO-WDEREUQCSA-N 1 1 194.278 1.543 10 30 ADEEMO C[N@H+]1CCC[C@@H](C[C@H](F)C=O)C1 257905144 573933079 /nfs/dbraw/zinc/93/30/79/573933079.db2.gz POQHZQDSFFQOQY-IUCAKERBSA-N 1 1 173.231 1.255 10 30 ADEEMO C[N@H+]1CCC[C@H](C[C@@H](F)C=O)C1 257905146 573933394 /nfs/dbraw/zinc/93/33/94/573933394.db2.gz POQHZQDSFFQOQY-RKDXNWHRSA-N 1 1 173.231 1.255 10 30 ADEEMO CC[N@H+]1CCC[C@H]([C@H](CC=O)OC)C1 257904562 573933651 /nfs/dbraw/zinc/93/36/51/573933651.db2.gz WGNUBUNAZGHTIY-QWRGUYRKSA-N 1 1 199.294 1.322 10 30 ADEEMO CN[C@](C)(C#N)CC[N@@H+](C)C1CCC1 127733265 573933653 /nfs/dbraw/zinc/93/36/53/573933653.db2.gz OTWXADJFEFKRMA-NSHDSACASA-N 1 1 195.310 1.362 10 30 ADEEMO CCC[N@@H+](CC[C@H](N)C#N)CC(C)C 308465922 573936529 /nfs/dbraw/zinc/93/65/29/573936529.db2.gz HEEHDMLACYXRHB-NSHDSACASA-N 1 1 197.326 1.595 10 30 ADEEMO CCO[C@H](C=O)[C@H]1CCC[N@@H+](CC)C1 257905491 573936647 /nfs/dbraw/zinc/93/66/47/573936647.db2.gz WKIVFZYTOLGLKN-WDEREUQCSA-N 1 1 199.294 1.322 10 30 ADEEMO CCC[N@@H+](CC[C@@H](N)C#N)CC(C)C 308465919 573936759 /nfs/dbraw/zinc/93/67/59/573936759.db2.gz HEEHDMLACYXRHB-LLVKDONJSA-N 1 1 197.326 1.595 10 30 ADEEMO C=CCN1CCC[NH2+]C[C@@H](C)C1 259245887 573938324 /nfs/dbraw/zinc/93/83/24/573938324.db2.gz DZUPAOSJBZVRTF-SNVBAGLBSA-N 1 1 168.284 1.104 10 30 ADEEMO Cc1cccc([C@H]([NH3+])C=O)c1 259244230 573938344 /nfs/dbraw/zinc/93/83/44/573938344.db2.gz HXFHIBBXSUMYLG-SECBINFHSA-N 1 1 149.193 1.194 10 30 ADEEMO C=CC[C@H]([NH3+])c1nc(C2CCC2)no1 127768057 573938484 /nfs/dbraw/zinc/93/84/84/573938484.db2.gz YTZCSXOHDXLTHF-QMMMGPOBSA-N 1 1 193.250 1.913 10 30 ADEEMO C=CCN1CCC[NH2+]C[C@H](C)C1 259245883 573939720 /nfs/dbraw/zinc/93/97/20/573939720.db2.gz DZUPAOSJBZVRTF-JTQLQIEISA-N 1 1 168.284 1.104 10 30 ADEEMO C#CC[NH2+]Cc1cnoc1C(C)C 585364460 573940056 /nfs/dbraw/zinc/94/00/56/573940056.db2.gz NWMFMRRCMJWDIU-UHFFFAOYSA-N 1 1 178.235 1.521 10 30 ADEEMO C[N@H+]1CCC[C@H](c2c[nH]c(C#N)n2)C1 259023884 573942043 /nfs/dbraw/zinc/94/20/43/573942043.db2.gz FOQHZRZPWJTBAH-QMMMGPOBSA-N 1 1 190.250 1.091 10 30 ADEEMO N#CCC[N@H+]1C[C@H]2CC[C@@H]1C2 42350162 573942240 /nfs/dbraw/zinc/94/22/40/573942240.db2.gz FNFZNAOQYGXLRD-DTWKUNHWSA-N 1 1 150.225 1.384 10 30 ADEEMO Cc1ccc([C@@H]([NH3+])C=O)c(C)c1 259246723 573942493 /nfs/dbraw/zinc/94/24/93/573942493.db2.gz HZNOJHIUEOWQJT-JTQLQIEISA-N 1 1 163.220 1.502 10 30 ADEEMO COC[C@@H](C)[N@@H+](C)CCCC#N 42338090 573942648 /nfs/dbraw/zinc/94/26/48/573942648.db2.gz OGXSIBYRGMFIKH-SECBINFHSA-N 1 1 170.256 1.257 10 30 ADEEMO C#C[C@H](C)NC(C[NH3+])(C1CC1)C1CC1 308469763 573943628 /nfs/dbraw/zinc/94/36/28/573943628.db2.gz IXKHUXRTWZPOEY-VIFPVBQESA-N 1 1 192.306 1.115 10 30 ADEEMO C[C@@H]1OCC[C@H]1[N@@H+](C)CCC[C@H]1CO1 308470661 573943208 /nfs/dbraw/zinc/94/32/08/573943208.db2.gz HUBHWLGSVHMAKC-GARJFASQSA-N 1 1 199.294 1.275 10 30 ADEEMO C[C@@H]1OCC[C@@H]1[N@@H+](C)CCC[C@H]1CO1 308470659 573943407 /nfs/dbraw/zinc/94/34/07/573943407.db2.gz HUBHWLGSVHMAKC-DCAQKATOSA-N 1 1 199.294 1.275 10 30 ADEEMO C[C@@H]1OCC[C@@H]1[N@@H+](C)CCC[C@@H]1CO1 308470658 573945137 /nfs/dbraw/zinc/94/51/37/573945137.db2.gz HUBHWLGSVHMAKC-AXFHLTTASA-N 1 1 199.294 1.275 10 30 ADEEMO C#C[C@@H](C)NC(C[NH3+])(C1CC1)C1CC1 308469762 573945174 /nfs/dbraw/zinc/94/51/74/573945174.db2.gz IXKHUXRTWZPOEY-SECBINFHSA-N 1 1 192.306 1.115 10 30 ADEEMO C=C(CCO)[C@@H]1CCCC[N@@H+]1CC 258185174 573944765 /nfs/dbraw/zinc/94/47/65/573944765.db2.gz MFZAJDMYPYPGCE-NSHDSACASA-N 1 1 183.295 1.799 10 30 ADEEMO C[C@@H]1OCC[C@H]1[N@@H+](C)CCC[C@@H]1CO1 308470662 573944801 /nfs/dbraw/zinc/94/48/01/573944801.db2.gz HUBHWLGSVHMAKC-HBNTYKKESA-N 1 1 199.294 1.275 10 30 ADEEMO C=C(CCO)[C@H]1CCCC[N@@H+]1CC 258185172 573944847 /nfs/dbraw/zinc/94/48/47/573944847.db2.gz MFZAJDMYPYPGCE-LLVKDONJSA-N 1 1 183.295 1.799 10 30 ADEEMO CCc1[nH+]ccn1[C@@H](C)C/C(N)=N\O 42419881 573944966 /nfs/dbraw/zinc/94/49/66/573944966.db2.gz HTCUVVHMMJOUQX-ZETCQYMHSA-N 1 1 196.254 1.143 10 30 ADEEMO CCO[C@@H]1CCC[N@@H+]([C@@H](C)CC#N)C1 42422332 573945024 /nfs/dbraw/zinc/94/50/24/573945024.db2.gz JHASXDOPTZUFNE-WDEREUQCSA-N 1 1 196.294 1.789 10 30 ADEEMO CCO[C@@H]1CCC[N@H+]([C@@H](C)CC#N)C1 42422332 573945030 /nfs/dbraw/zinc/94/50/30/573945030.db2.gz JHASXDOPTZUFNE-WDEREUQCSA-N 1 1 196.294 1.789 10 30 ADEEMO CC(C)(C#N)[C@@H]([NH3+])c1ccncc1 259247464 573945475 /nfs/dbraw/zinc/94/54/75/573945475.db2.gz GFZKHKOHVPVOEV-VIFPVBQESA-N 1 1 175.235 1.631 10 30 ADEEMO Cc1cc(C(=O)C[NH3+])cc(C#N)c1C 258187053 573945665 /nfs/dbraw/zinc/94/56/65/573945665.db2.gz XCYBTMIQOLEMHV-UHFFFAOYSA-N 1 1 188.230 1.317 10 30 ADEEMO C#CCc1nc2ccc(N)cc2[nH]1 118609563 573945949 /nfs/dbraw/zinc/94/59/49/573945949.db2.gz MKZVYEJZMHKWKA-UHFFFAOYSA-N 1 1 171.203 1.321 10 30 ADEEMO C[N@@H+](Cc1ccccc1F)C[C@@H]1CO1 42436783 573947391 /nfs/dbraw/zinc/94/73/91/573947391.db2.gz YPRUJATXXLBWCB-SNVBAGLBSA-N 1 1 195.237 1.656 10 30 ADEEMO C[N@H+](Cc1ccccc1F)C[C@@H]1CO1 42436783 573947396 /nfs/dbraw/zinc/94/73/96/573947396.db2.gz YPRUJATXXLBWCB-SNVBAGLBSA-N 1 1 195.237 1.656 10 30 ADEEMO CC(C)(C#N)[C@H]([NH3+])c1ccncc1 259247460 573947045 /nfs/dbraw/zinc/94/70/45/573947045.db2.gz GFZKHKOHVPVOEV-SECBINFHSA-N 1 1 175.235 1.631 10 30 ADEEMO CC(C)[N@H+]1CC[C@@H](CN[C@@H](C)C#N)C1 45134739 573951195 /nfs/dbraw/zinc/95/11/95/573951195.db2.gz KAWXHAWZSZKZPO-QWRGUYRKSA-N 1 1 195.310 1.218 10 30 ADEEMO CC(C)[N@H+]1CC[C@H](CNCCC#N)C1 45135122 573951201 /nfs/dbraw/zinc/95/12/01/573951201.db2.gz SXIZXPQMHRPEIE-LLVKDONJSA-N 1 1 195.310 1.220 10 30 ADEEMO C[N@@H+]1Cc2ccc(CCC=O)cc2C1 258187005 573951581 /nfs/dbraw/zinc/95/15/81/573951581.db2.gz XBXFBYDUNPFZRM-UHFFFAOYSA-N 1 1 189.258 1.764 10 30 ADEEMO C[N@H+]1Cc2ccc(CCC=O)cc2C1 258187005 573951583 /nfs/dbraw/zinc/95/15/83/573951583.db2.gz XBXFBYDUNPFZRM-UHFFFAOYSA-N 1 1 189.258 1.764 10 30 ADEEMO CC(C)[N@H+]1CC[C@@H](CNCCC#N)C1 45135123 573953286 /nfs/dbraw/zinc/95/32/86/573953286.db2.gz SXIZXPQMHRPEIE-NSHDSACASA-N 1 1 195.310 1.220 10 30 ADEEMO C#CCn1c[nH+]c2cc(N)ccc21 118609554 573953386 /nfs/dbraw/zinc/95/33/86/573953386.db2.gz MDAHDOBCSRAQCF-UHFFFAOYSA-N 1 1 171.203 1.252 10 30 ADEEMO Cc1[nH+]ccn1CCN(C)[C@H](C)C#N 45144591 573954514 /nfs/dbraw/zinc/95/45/14/573954514.db2.gz AQRRARQSDXLJGF-SECBINFHSA-N 1 1 192.266 1.035 10 30 ADEEMO C[C@]([NH3+])(C#N)CCOCC(F)(F)F 45209256 573954762 /nfs/dbraw/zinc/95/47/62/573954762.db2.gz QBSYKTWLYNZCCD-ZCFIWIBFSA-N 1 1 196.172 1.196 10 30 ADEEMO CC[C@H](C)OCC[C@](C)([NH3+])C#N 45214028 573954791 /nfs/dbraw/zinc/95/47/91/573954791.db2.gz HQECARXDBCFJQW-IUCAKERBSA-N 1 1 170.256 1.433 10 30 ADEEMO N#C[C@@]1([NH3+])CCC[C@H](C2CC2)C1 81642394 573954799 /nfs/dbraw/zinc/95/47/99/573954799.db2.gz UPAIPYXLIHIZFD-VHSXEESVSA-N 1 1 164.252 1.808 10 30 ADEEMO C=C(C)CCO[NH+]=C(N)CCOC 308471841 573957157 /nfs/dbraw/zinc/95/71/57/573957157.db2.gz KSAXEDNTPKEDNH-UHFFFAOYSA-N 1 1 186.255 1.278 10 30 ADEEMO C[N@H+]1CCC[C@H]([C@@H](F)C#N)C1 259249892 573957223 /nfs/dbraw/zinc/95/72/23/573957223.db2.gz LBYXYPYBLWGOQV-YUMQZZPRSA-N 1 1 156.204 1.190 10 30 ADEEMO CCC[N@@H+](CCO)[C@@H]1CCC[C@@H]1C#N 42452722 573957291 /nfs/dbraw/zinc/95/72/91/573957291.db2.gz MQLCQSPBDVNOCH-GHMZBOCLSA-N 1 1 196.294 1.383 10 30 ADEEMO C=CC[C@@H]([NH3+])C(=O)O[C@@H](C)C(C)C 127876774 573957499 /nfs/dbraw/zinc/95/74/99/573957499.db2.gz QOVJBPFWVAOHSS-DTWKUNHWSA-N 1 1 185.267 1.478 10 30 ADEEMO CC(C)COCC[C@@](C)([NH3+])C#N 45208243 573957577 /nfs/dbraw/zinc/95/75/77/573957577.db2.gz PPRFCGHZKXMYGT-SECBINFHSA-N 1 1 170.256 1.290 10 30 ADEEMO C[C@@]([NH3+])(C#N)CCOCC(F)(F)F 45209258 573957627 /nfs/dbraw/zinc/95/76/27/573957627.db2.gz QBSYKTWLYNZCCD-LURJTMIESA-N 1 1 196.172 1.196 10 30 ADEEMO CC(C)COCC[C@](C)([NH3+])C#N 45208242 573957643 /nfs/dbraw/zinc/95/76/43/573957643.db2.gz PPRFCGHZKXMYGT-VIFPVBQESA-N 1 1 170.256 1.290 10 30 ADEEMO CCCCCOCC[C@](C)([NH3+])C#N 45213587 573957708 /nfs/dbraw/zinc/95/77/08/573957708.db2.gz AOTUAVIWYAURGY-JTQLQIEISA-N 1 1 184.283 1.824 10 30 ADEEMO C=CC[C@H]([NH3+])C(=O)O[C@H](C)C(C)C 127877037 573957824 /nfs/dbraw/zinc/95/78/24/573957824.db2.gz QOVJBPFWVAOHSS-BDAKNGLRSA-N 1 1 185.267 1.478 10 30 ADEEMO CC[C@H](C)OCC[C@@](C)([NH3+])C#N 45214034 573957859 /nfs/dbraw/zinc/95/78/59/573957859.db2.gz HQECARXDBCFJQW-DTWKUNHWSA-N 1 1 170.256 1.433 10 30 ADEEMO C[N@H+]1CCC[C@H]([C@H](F)C#N)C1 259249886 573957894 /nfs/dbraw/zinc/95/78/94/573957894.db2.gz LBYXYPYBLWGOQV-JGVFFNPUSA-N 1 1 156.204 1.190 10 30 ADEEMO CC(C)CCOCC[C@](C)([NH3+])C#N 45208150 573957944 /nfs/dbraw/zinc/95/79/44/573957944.db2.gz OXSYCLJRXDHGMY-JTQLQIEISA-N 1 1 184.283 1.680 10 30 ADEEMO CCC[N@@H+](CC[C@@](C)(N)C#N)C(C)C 45180435 573959483 /nfs/dbraw/zinc/95/94/83/573959483.db2.gz TXFYOIUQYTXSBC-LLVKDONJSA-N 1 1 197.326 1.738 10 30 ADEEMO C[C@@]([NH3+])(C#N)CCOCC1CC1 45208822 573958613 /nfs/dbraw/zinc/95/86/13/573958613.db2.gz QZKKGERAOITTNQ-VIFPVBQESA-N 1 1 168.240 1.044 10 30 ADEEMO N#C[C@@H](C1CCC1)[NH+]1CCCC1 87585770 573958709 /nfs/dbraw/zinc/95/87/09/573958709.db2.gz ROYDWBMXENODPR-JTQLQIEISA-N 1 1 164.252 1.774 10 30 ADEEMO C[N@H+](CC1CCCCC1)C[C@@H]1CO1 42492926 573958728 /nfs/dbraw/zinc/95/87/28/573958728.db2.gz YYBVKFYEKMNFIX-LLVKDONJSA-N 1 1 183.295 1.897 10 30 ADEEMO CC(C)CCOCC[C@@](C)([NH3+])C#N 45208151 573958806 /nfs/dbraw/zinc/95/88/06/573958806.db2.gz OXSYCLJRXDHGMY-SNVBAGLBSA-N 1 1 184.283 1.680 10 30 ADEEMO C=CC[C@@H]([NH3+])C(=O)OCCCCC 127850526 573958815 /nfs/dbraw/zinc/95/88/15/573958815.db2.gz LAVZWRFPNKYUEE-SECBINFHSA-N 1 1 185.267 1.623 10 30 ADEEMO CCCC[N@@H+](CCO)[C@H](CC)CC#N 42492997 573958853 /nfs/dbraw/zinc/95/88/53/573958853.db2.gz INLKRXHCDRUKQL-LLVKDONJSA-N 1 1 198.310 1.773 10 30 ADEEMO C[C@]([NH3+])(C#N)CCOCC1CC1 45208820 573958886 /nfs/dbraw/zinc/95/88/86/573958886.db2.gz QZKKGERAOITTNQ-SECBINFHSA-N 1 1 168.240 1.044 10 30 ADEEMO C#CC[C@@H]([NH3+])C(=O)OCCC(C)(C)C 127875131 573959049 /nfs/dbraw/zinc/95/90/49/573959049.db2.gz BVGIUDSEXKZJDQ-SECBINFHSA-N 1 1 197.278 1.316 10 30 ADEEMO N#C[C@@H]1C[N@@H+](C2CCCC2)CCS1 259587929 573959219 /nfs/dbraw/zinc/95/92/19/573959219.db2.gz BZXUOGMTOKKBPV-SNVBAGLBSA-N 1 1 196.319 1.870 10 30 ADEEMO N#C[C@@H]1C[N@H+](C2CCCC2)CCS1 259587929 573959226 /nfs/dbraw/zinc/95/92/26/573959226.db2.gz BZXUOGMTOKKBPV-SNVBAGLBSA-N 1 1 196.319 1.870 10 30 ADEEMO CC[N@@H+](CC[C@@](C)(C#N)NC)C1CC1 45180505 573962264 /nfs/dbraw/zinc/96/22/64/573962264.db2.gz NAIVIKGNFROAMC-NSHDSACASA-N 1 1 195.310 1.362 10 30 ADEEMO CC(C)CC[N@H+](C)C[C@](C)(N)C#N 45177882 573962288 /nfs/dbraw/zinc/96/22/88/573962288.db2.gz IHZIQYDBZOULGW-SNVBAGLBSA-N 1 1 183.299 1.205 10 30 ADEEMO CC(C)CC[N@@H+](C)C[C@](C)(N)C#N 45177882 573962291 /nfs/dbraw/zinc/96/22/91/573962291.db2.gz IHZIQYDBZOULGW-SNVBAGLBSA-N 1 1 183.299 1.205 10 30 ADEEMO CC[C@@H](C)[N@H+](CC)C[C@@](C)(C#N)NC 45175961 573962431 /nfs/dbraw/zinc/96/24/31/573962431.db2.gz KFJVULIFOHRWCH-GHMZBOCLSA-N 1 1 197.326 1.608 10 30 ADEEMO CC[C@@H](C)[N@@H+](CC)C[C@@](C)(C#N)NC 45175961 573962436 /nfs/dbraw/zinc/96/24/36/573962436.db2.gz KFJVULIFOHRWCH-GHMZBOCLSA-N 1 1 197.326 1.608 10 30 ADEEMO C#CCn1cc(C)[nH+]c1CC 715092147 573962586 /nfs/dbraw/zinc/96/25/86/573962586.db2.gz RUEBSTFBMVKHII-UHFFFAOYSA-N 1 1 148.209 1.387 10 30 ADEEMO C[NH2+][C@H](CC#N)c1ccc[nH]1 259250953 573962589 /nfs/dbraw/zinc/96/25/89/573962589.db2.gz HFVWJZKLGNWDKL-SSDOTTSWSA-N 1 1 149.197 1.189 10 30 ADEEMO CC(C)OCCC[C@](C)([NH3+])C#N 45325926 573962623 /nfs/dbraw/zinc/96/26/23/573962623.db2.gz WREIMCNHCKZSEO-VIFPVBQESA-N 1 1 170.256 1.433 10 30 ADEEMO CCCC[N@H+](C[C@@](C)(N)C#N)C1CC1 45177091 573962698 /nfs/dbraw/zinc/96/26/98/573962698.db2.gz BNILUWQQVIDQOW-NSHDSACASA-N 1 1 195.310 1.492 10 30 ADEEMO CCCC[N@@H+](C[C@@](C)(N)C#N)C1CC1 45177091 573962703 /nfs/dbraw/zinc/96/27/03/573962703.db2.gz BNILUWQQVIDQOW-NSHDSACASA-N 1 1 195.310 1.492 10 30 ADEEMO CCC[N@@H+](CC1CC1)C[C@@](C)(N)C#N 45177150 573962724 /nfs/dbraw/zinc/96/27/24/573962724.db2.gz JVRUICHLYXJKLS-NSHDSACASA-N 1 1 195.310 1.349 10 30 ADEEMO CCCCC[N@H+](C)C[C@](C)(N)C#N 45176076 573962807 /nfs/dbraw/zinc/96/28/07/573962807.db2.gz QVZBLFAQSJWNLK-SNVBAGLBSA-N 1 1 183.299 1.349 10 30 ADEEMO CCCCC[N@@H+](C)C[C@](C)(N)C#N 45176076 573962811 /nfs/dbraw/zinc/96/28/11/573962811.db2.gz QVZBLFAQSJWNLK-SNVBAGLBSA-N 1 1 183.299 1.349 10 30 ADEEMO CCCC[N@H+](CC)C[C@](C)(N)C#N 45174863 573962918 /nfs/dbraw/zinc/96/29/18/573962918.db2.gz KVGBZPNJWXIWHJ-SNVBAGLBSA-N 1 1 183.299 1.349 10 30 ADEEMO CCCC[N@@H+](CC)C[C@](C)(N)C#N 45174863 573962924 /nfs/dbraw/zinc/96/29/24/573962924.db2.gz KVGBZPNJWXIWHJ-SNVBAGLBSA-N 1 1 183.299 1.349 10 30 ADEEMO CC(C)C[N@H+](C[C@](C)(N)C#N)C1CC1 45177242 573962933 /nfs/dbraw/zinc/96/29/33/573962933.db2.gz BBUKAFSSPZPLOQ-LLVKDONJSA-N 1 1 195.310 1.348 10 30 ADEEMO CC(C)C[N@@H+](C[C@](C)(N)C#N)C1CC1 45177242 573962937 /nfs/dbraw/zinc/96/29/37/573962937.db2.gz BBUKAFSSPZPLOQ-LLVKDONJSA-N 1 1 195.310 1.348 10 30 ADEEMO CN[C@](C)(C#N)CCn1cc[nH+]c1C 45183705 573962949 /nfs/dbraw/zinc/96/29/49/573962949.db2.gz KIYMRRZLZYTZNF-JTQLQIEISA-N 1 1 192.266 1.083 10 30 ADEEMO CC[C@H]1CCC[N@@H+]1C[C@@](C)(C#N)NC 45174569 573963024 /nfs/dbraw/zinc/96/30/24/573963024.db2.gz RYQCCXHZQINPLP-WDEREUQCSA-N 1 1 195.310 1.362 10 30 ADEEMO CC[C@H]1CCC[N@H+]1C[C@@](C)(C#N)NC 45174569 573963029 /nfs/dbraw/zinc/96/30/29/573963029.db2.gz RYQCCXHZQINPLP-WDEREUQCSA-N 1 1 195.310 1.362 10 30 ADEEMO CC(C)[N@@H+](CCCO)[C@@H](C)CC#N 42504413 573963149 /nfs/dbraw/zinc/96/31/49/573963149.db2.gz DQRRXPZFRFBMDX-JTQLQIEISA-N 1 1 184.283 1.381 10 30 ADEEMO CCC(C)(C)OCC[C@](C)([NH3+])C#N 45207812 573963181 /nfs/dbraw/zinc/96/31/81/573963181.db2.gz QYYCSQOIRCHIAR-JTQLQIEISA-N 1 1 184.283 1.823 10 30 ADEEMO COC[C@H](C)[N@H+](C)[C@@H](C)CC#N 42518233 573967400 /nfs/dbraw/zinc/96/74/00/573967400.db2.gz ATUQSNKDBMAPQE-IUCAKERBSA-N 1 1 170.256 1.255 10 30 ADEEMO COC[C@H](C)[N@@H+](C)[C@@H](C)CC#N 42518233 573967403 /nfs/dbraw/zinc/96/74/03/573967403.db2.gz ATUQSNKDBMAPQE-IUCAKERBSA-N 1 1 170.256 1.255 10 30 ADEEMO CCCC[NH+](CCCC)C[C@@H](N)C#N 45308422 573967417 /nfs/dbraw/zinc/96/74/17/573967417.db2.gz CVAOPNLCWDRLHJ-NSHDSACASA-N 1 1 197.326 1.739 10 30 ADEEMO CC[C@@H](C)OCCC[C@@](C)([NH3+])C#N 45330861 573967456 /nfs/dbraw/zinc/96/74/56/573967456.db2.gz GOFRXTXMWOATSQ-NXEZZACHSA-N 1 1 184.283 1.823 10 30 ADEEMO C[N@H+]1CCC[C@@H](C/C=C\CC=O)C1 258191410 573967461 /nfs/dbraw/zinc/96/74/61/573967461.db2.gz MSTWSSCCCGMXHX-OTDNITJGSA-N 1 1 181.279 1.864 10 30 ADEEMO CCC[N@@H+](CC1CC1)C[C@H](C#N)NC 45315580 573967555 /nfs/dbraw/zinc/96/75/55/573967555.db2.gz ZTCCJQGXNAMIKP-NSHDSACASA-N 1 1 195.310 1.220 10 30 ADEEMO CCC[N@H+](CC1CC1)C[C@H](C#N)NC 45315580 573967559 /nfs/dbraw/zinc/96/75/59/573967559.db2.gz ZTCCJQGXNAMIKP-NSHDSACASA-N 1 1 195.310 1.220 10 30 ADEEMO CCCCC[N@H+](C[C@H](N)C#N)C(C)C 45317194 573967582 /nfs/dbraw/zinc/96/75/82/573967582.db2.gz LXGZHHZZOLJPNF-LLVKDONJSA-N 1 1 197.326 1.738 10 30 ADEEMO CC(C)[N@@H+](CCCO)[C@H](C)CC#N 42504416 573967585 /nfs/dbraw/zinc/96/75/85/573967585.db2.gz DQRRXPZFRFBMDX-SNVBAGLBSA-N 1 1 184.283 1.381 10 30 ADEEMO CCCCC[N@@H+](C[C@H](N)C#N)C(C)C 45317194 573967586 /nfs/dbraw/zinc/96/75/86/573967586.db2.gz LXGZHHZZOLJPNF-LLVKDONJSA-N 1 1 197.326 1.738 10 30 ADEEMO CC[C@@H](CC#N)[N@H+](CCOC)C1CC1 42518249 573967608 /nfs/dbraw/zinc/96/76/08/573967608.db2.gz KCFJNLWUFMXDNZ-JTQLQIEISA-N 1 1 196.294 1.789 10 30 ADEEMO CC[C@@H](CC#N)[N@@H+](CCOC)C1CC1 42518249 573967611 /nfs/dbraw/zinc/96/76/11/573967611.db2.gz KCFJNLWUFMXDNZ-JTQLQIEISA-N 1 1 196.294 1.789 10 30 ADEEMO CCC(CC)C[N@H+](CC)C[C@@H](N)C#N 45316380 573967659 /nfs/dbraw/zinc/96/76/59/573967659.db2.gz GAQWLDMBMWHOIP-NSHDSACASA-N 1 1 197.326 1.595 10 30 ADEEMO CCC(CC)C[N@@H+](CC)C[C@@H](N)C#N 45316380 573967666 /nfs/dbraw/zinc/96/76/66/573967666.db2.gz GAQWLDMBMWHOIP-NSHDSACASA-N 1 1 197.326 1.595 10 30 ADEEMO CCC(CC)[N@@H+](CCO)C[C@@H](C)C#N 42505344 573967809 /nfs/dbraw/zinc/96/78/09/573967809.db2.gz KBOIXPOLBSFQPT-JTQLQIEISA-N 1 1 198.310 1.629 10 30 ADEEMO CC[N@H+]1CCCC[C@H]1C#CC=O 258192868 573967921 /nfs/dbraw/zinc/96/79/21/573967921.db2.gz MTUAZPOATPOWMJ-JTQLQIEISA-N 1 1 165.236 1.063 10 30 ADEEMO C=C(CO)[C@@H]1CCC[N@@H+]1C(C)C 258193116 573967950 /nfs/dbraw/zinc/96/79/50/573967950.db2.gz MVCQDLKGJUQDGU-JTQLQIEISA-N 1 1 169.268 1.408 10 30 ADEEMO CC[C@@H](C)OCCC[C@](C)([NH3+])C#N 45330856 573967969 /nfs/dbraw/zinc/96/79/69/573967969.db2.gz GOFRXTXMWOATSQ-ZJUUUORDSA-N 1 1 184.283 1.823 10 30 ADEEMO C=CC[C@H]([NH3+])c1nc(CC2CC2)no1 127805068 573968004 /nfs/dbraw/zinc/96/80/04/573968004.db2.gz VNVAACMTISYZHZ-QMMMGPOBSA-N 1 1 193.250 1.598 10 30 ADEEMO CC[C@H](O)C[N@@H+](CCC#N)C(C)C 42529956 573968015 /nfs/dbraw/zinc/96/80/15/573968015.db2.gz MGHPAVHBFKTSLN-JTQLQIEISA-N 1 1 184.283 1.381 10 30 ADEEMO COCC[N@@H+](C1CC1)[C@H](C)CC#N 42518267 573968032 /nfs/dbraw/zinc/96/80/32/573968032.db2.gz WONSTPJJHBDKBQ-SECBINFHSA-N 1 1 182.267 1.399 10 30 ADEEMO COCC[N@H+](C1CC1)[C@H](C)CC#N 42518267 573968036 /nfs/dbraw/zinc/96/80/36/573968036.db2.gz WONSTPJJHBDKBQ-SECBINFHSA-N 1 1 182.267 1.399 10 30 ADEEMO C=C[C@H]([NH2+]CC)c1cscn1 87595238 573968039 /nfs/dbraw/zinc/96/80/39/573968039.db2.gz ARHWUUYGMMWRMT-ZETCQYMHSA-N 1 1 168.265 1.980 10 30 ADEEMO C=C(CO)[C@H]1CCC[N@@H+]1C(C)C 258193122 573969806 /nfs/dbraw/zinc/96/98/06/573969806.db2.gz MVCQDLKGJUQDGU-SNVBAGLBSA-N 1 1 169.268 1.408 10 30 ADEEMO Cc1[nH]c2c([nH+]1)CCC[C@@H]2C#N 259590045 573970041 /nfs/dbraw/zinc/97/00/41/573970041.db2.gz BVQLPBCEABXVCH-SSDOTTSWSA-N 1 1 161.208 1.662 10 30 ADEEMO CC[N@@H+](C[C@@H](N)C#N)C1CCCCC1 45306091 573970078 /nfs/dbraw/zinc/97/00/78/573970078.db2.gz GWYVAHJEFPUBFP-JTQLQIEISA-N 1 1 195.310 1.492 10 30 ADEEMO C=CC[C@@H]([NH3+])C(=O)O[C@H](C)CC(C)C 127822800 573972133 /nfs/dbraw/zinc/97/21/33/573972133.db2.gz WTHMWVIEBRSTSA-NXEZZACHSA-N 1 1 199.294 1.868 10 30 ADEEMO C#CC[C@@H]([NH3+])C(=O)O[C@H](C)CC(C)C 127823726 573972362 /nfs/dbraw/zinc/97/23/62/573972362.db2.gz ORNNITMXWIHAJJ-NXEZZACHSA-N 1 1 197.278 1.315 10 30 ADEEMO C[N@@H+](CC1CCCCC1)C[C@@H](N)C#N 45320142 573972435 /nfs/dbraw/zinc/97/24/35/573972435.db2.gz VUPGOYHAXQGIRK-NSHDSACASA-N 1 1 195.310 1.349 10 30 ADEEMO C[N@H+](CC1CCCCC1)C[C@@H](N)C#N 45320142 573972441 /nfs/dbraw/zinc/97/24/41/573972441.db2.gz VUPGOYHAXQGIRK-NSHDSACASA-N 1 1 195.310 1.349 10 30 ADEEMO C=CC[C@@H]([NH3+])C(=O)OCCCC 127815039 573972562 /nfs/dbraw/zinc/97/25/62/573972562.db2.gz DEZCSXOKETWYQN-MRVPVSSYSA-N 1 1 171.240 1.233 10 30 ADEEMO C#C[C@@H](O)C(C)(C)C1=[NH+]CC(C)(C)C1 238229028 573972789 /nfs/dbraw/zinc/97/27/89/573972789.db2.gz DIRQQYIFWODSDP-SNVBAGLBSA-N 1 1 193.290 1.878 10 30 ADEEMO CCCC[N@@H+](C[C@H](N)C#N)[C@@H](C)CC 45320791 573972810 /nfs/dbraw/zinc/97/28/10/573972810.db2.gz IQMVVECMXHRZOV-WDEREUQCSA-N 1 1 197.326 1.738 10 30 ADEEMO C[C@@]([NH3+])(C#N)CCCCn1ccnc1 45321409 573972861 /nfs/dbraw/zinc/97/28/61/573972861.db2.gz BSDXTAASKVQGGB-JTQLQIEISA-N 1 1 192.266 1.294 10 30 ADEEMO C=CC[C@H]([NH3+])C(=O)O[C@@H](C)CC(C)C 127823480 573972878 /nfs/dbraw/zinc/97/28/78/573972878.db2.gz WTHMWVIEBRSTSA-UWVGGRQHSA-N 1 1 199.294 1.868 10 30 ADEEMO CCC[C@H]1C[C@H](C=O)[N@@H+](C)C1 238229776 573972902 /nfs/dbraw/zinc/97/29/02/573972902.db2.gz CGERCLMZASQRAV-DTWKUNHWSA-N 1 1 155.241 1.306 10 30 ADEEMO C1CCC2(C1)CC[N@H+](C[C@H]1CO1)C2 104391938 573974818 /nfs/dbraw/zinc/97/48/18/573974818.db2.gz CBKIIVMUEXROIL-JTQLQIEISA-N 1 1 181.279 1.651 10 30 ADEEMO C=CC[C@H]([NH3+])C(=O)O[C@@H](C)CC 127817035 573975042 /nfs/dbraw/zinc/97/50/42/573975042.db2.gz YKQHLLOMJIZFOZ-YUMQZZPRSA-N 1 1 171.240 1.232 10 30 ADEEMO CC(C)C[N@@H+](C[C@@H](N)C#N)C(C)C 45319332 573975127 /nfs/dbraw/zinc/97/51/27/573975127.db2.gz MRSZMGWXHRSCPL-JTQLQIEISA-N 1 1 183.299 1.204 10 30 ADEEMO C[C@]([NH3+])(C#N)CCCCn1ccnc1 45321405 573975198 /nfs/dbraw/zinc/97/51/98/573975198.db2.gz BSDXTAASKVQGGB-SNVBAGLBSA-N 1 1 192.266 1.294 10 30 ADEEMO C[N@@H+](CC1CCCCC1)C[C@H](N)C#N 45320139 573975261 /nfs/dbraw/zinc/97/52/61/573975261.db2.gz VUPGOYHAXQGIRK-LLVKDONJSA-N 1 1 195.310 1.349 10 30 ADEEMO C=CC[C@H]([NH3+])C(=O)OC1CCCCC1 127820070 573975264 /nfs/dbraw/zinc/97/52/64/573975264.db2.gz GDFAYDRQGGGNHS-JTQLQIEISA-N 1 1 197.278 1.766 10 30 ADEEMO C[N@H+](CC1CCCCC1)C[C@H](N)C#N 45320139 573975265 /nfs/dbraw/zinc/97/52/65/573975265.db2.gz VUPGOYHAXQGIRK-LLVKDONJSA-N 1 1 195.310 1.349 10 30 ADEEMO Cc1[nH+]ccn1CCC[C@@](C)(N)C#N 45321630 573975293 /nfs/dbraw/zinc/97/52/93/573975293.db2.gz FMCZMNFDKFBAQV-SNVBAGLBSA-N 1 1 192.266 1.213 10 30 ADEEMO C=CC[C@@H]([NH3+])C(=O)O[C@H](C)CC 127816398 573975383 /nfs/dbraw/zinc/97/53/83/573975383.db2.gz YKQHLLOMJIZFOZ-HTQZYQBOSA-N 1 1 171.240 1.232 10 30 ADEEMO C[C@]([NH3+])(C#N)CCCCn1cccn1 45321862 573975432 /nfs/dbraw/zinc/97/54/32/573975432.db2.gz WEPVNTCNWVJUDA-SNVBAGLBSA-N 1 1 192.266 1.294 10 30 ADEEMO C[C@@]([NH3+])(C#N)CCCCn1cccn1 45321866 573975949 /nfs/dbraw/zinc/97/59/49/573975949.db2.gz WEPVNTCNWVJUDA-JTQLQIEISA-N 1 1 192.266 1.294 10 30 ADEEMO CC(C)(C)OCCC[C@](C)([NH3+])C#N 45324425 573976246 /nfs/dbraw/zinc/97/62/46/573976246.db2.gz SCAFKCMVZBWAIG-JTQLQIEISA-N 1 1 184.283 1.823 10 30 ADEEMO Cc1[nH+]ccn1C[C@@H](C#N)NC(C)C 45321609 573976295 /nfs/dbraw/zinc/97/62/95/573976295.db2.gz WDCNXPLCHLZFEE-SNVBAGLBSA-N 1 1 192.266 1.082 10 30 ADEEMO Cc1[nH+]ccn1CCC[C@](C)(N)C#N 45321626 573976319 /nfs/dbraw/zinc/97/63/19/573976319.db2.gz FMCZMNFDKFBAQV-JTQLQIEISA-N 1 1 192.266 1.213 10 30 ADEEMO C=CC[C@H]([NH3+])C(=O)OCC(C)C 127832280 573980162 /nfs/dbraw/zinc/98/01/62/573980162.db2.gz RODDBYZRYZZHOR-QMMMGPOBSA-N 1 1 171.240 1.089 10 30 ADEEMO CC(C)C[C@@H](C)[N@@H+](C)C[C@@H]1CO1 42582186 573983872 /nfs/dbraw/zinc/98/38/72/573983872.db2.gz HFKSZNIRNZTLCV-NXEZZACHSA-N 1 1 171.284 1.752 10 30 ADEEMO CC(C)C[N@@H+](C[C@H]1CO1)C(C)C 42582201 573983889 /nfs/dbraw/zinc/98/38/89/573983889.db2.gz JCHARHAUCHRYKN-JTQLQIEISA-N 1 1 171.284 1.752 10 30 ADEEMO N#CC[C@@H]([NH3+])c1ccnc(F)c1 104451843 573983998 /nfs/dbraw/zinc/98/39/98/573983998.db2.gz KFDILNBSTUOXDH-SSDOTTSWSA-N 1 1 165.171 1.134 10 30 ADEEMO C[C@H]1CC[N@@H+](C)C[C@@H](C#N)C1 259589596 573983397 /nfs/dbraw/zinc/98/33/97/573983397.db2.gz LDKMTGBMXUIQIU-DTWKUNHWSA-N 1 1 152.241 1.488 10 30 ADEEMO CC(C)[N@@H+](CC1CC1)C[C@H]1CO1 42582208 573983849 /nfs/dbraw/zinc/98/38/49/573983849.db2.gz IEYUISYJUQRWLH-JTQLQIEISA-N 1 1 169.268 1.506 10 30 ADEEMO CC[C@@H](C)[N@@H+](CCOC)C[C@@H]1CO1 42582192 573986110 /nfs/dbraw/zinc/98/61/10/573986110.db2.gz OSZOWQKEAZCIET-NXEZZACHSA-N 1 1 187.283 1.132 10 30 ADEEMO CCC[N@H+]1CC[C@H]2O[C@@]2(C)C1 238226414 573987647 /nfs/dbraw/zinc/98/76/47/573987647.db2.gz DQPOEWBDJNCDDC-BDAKNGLRSA-N 1 1 155.241 1.260 10 30 ADEEMO CC[N@H+]1CCC[C@@](C)(C=O)C1 238233240 573992606 /nfs/dbraw/zinc/99/26/06/573992606.db2.gz AZRVALKVKDBEOY-SECBINFHSA-N 1 1 155.241 1.307 10 30 ADEEMO C#CCNC[C@H](C)[N@@H+](C)C1CCC1 127942279 573993422 /nfs/dbraw/zinc/99/34/22/573993422.db2.gz OSIUEXUAFNIGOO-JTQLQIEISA-N 1 1 180.295 1.082 10 30 ADEEMO C#CC[NH2+]C[C@H](C)N(C)C1CCC1 127942279 573993425 /nfs/dbraw/zinc/99/34/25/573993425.db2.gz OSIUEXUAFNIGOO-JTQLQIEISA-N 1 1 180.295 1.082 10 30 ADEEMO N#CC[C@@H]([NH3+])c1cc(N)ccc1Cl 104474838 573994591 /nfs/dbraw/zinc/99/45/91/573994591.db2.gz MTIJQEIXGZVNSW-SECBINFHSA-N 1 1 195.653 1.836 10 30 ADEEMO C#CCNC[C@@H](C)[N@@H+](C)C1CCC1 127942501 573997793 /nfs/dbraw/zinc/99/77/93/573997793.db2.gz OSIUEXUAFNIGOO-SNVBAGLBSA-N 1 1 180.295 1.082 10 30 ADEEMO C#CC[NH2+]C[C@@H](C)N(C)C1CCC1 127942501 573997796 /nfs/dbraw/zinc/99/77/96/573997796.db2.gz OSIUEXUAFNIGOO-SNVBAGLBSA-N 1 1 180.295 1.082 10 30 ADEEMO CC[NH+](CC)C1CCC(=O)C1=O 238235658 574000782 /nfs/dbraw/zinc/00/07/82/574000782.db2.gz LECXQKCHAAHXQI-UHFFFAOYSA-N 1 1 169.224 1.461 10 30 ADEEMO C#Cc1cc(CC)c(N)[nH+]c1C 209770399 574002769 /nfs/dbraw/zinc/00/27/69/574002769.db2.gz DQZJGCHPQNBAMJ-UHFFFAOYSA-N 1 1 160.220 1.516 10 30 ADEEMO Cc1cc([C@@H]([NH3+])CC#N)cnc1Cl 104484644 574004095 /nfs/dbraw/zinc/00/40/95/574004095.db2.gz HMQYJSUKRPBPPE-QMMMGPOBSA-N 1 1 195.653 1.957 10 30 ADEEMO CC(=O)[C@H]([NH3+])c1ccccc1CC#N 104488231 574004284 /nfs/dbraw/zinc/00/42/84/574004284.db2.gz SNFKVEHAKFCGIB-NSHDSACASA-N 1 1 188.230 1.341 10 30 ADEEMO COc1ccc(C)c([C@H]([NH3+])CC#N)c1 104485454 574004372 /nfs/dbraw/zinc/00/43/72/574004372.db2.gz WFOOYRONGPPKKY-LLVKDONJSA-N 1 1 190.246 1.917 10 30 ADEEMO CCc1ccc(O)cc1[C@H]([NH3+])CC#N 104488442 574005213 /nfs/dbraw/zinc/00/52/13/574005213.db2.gz PGETZWINMHIFGQ-LLVKDONJSA-N 1 1 190.246 1.868 10 30 ADEEMO CCc1c(O)cccc1[C@H]([NH3+])CC#N 104485462 574006913 /nfs/dbraw/zinc/00/69/13/574006913.db2.gz KROQYZKLAKXGEH-SNVBAGLBSA-N 1 1 190.246 1.868 10 30 ADEEMO CCc1cc(O)ccc1[C@H]([NH3+])CC#N 104487113 574006991 /nfs/dbraw/zinc/00/69/91/574006991.db2.gz WRSNICWJVADLAP-LLVKDONJSA-N 1 1 190.246 1.868 10 30 ADEEMO CC[N@H+]1CCC=C(CC=O)C1 258199856 574007364 /nfs/dbraw/zinc/00/73/64/574007364.db2.gz UMJRMFOSZPYASX-UHFFFAOYSA-N 1 1 153.225 1.227 10 30 ADEEMO N#CCc1cc([C@H]([NH3+])CC#N)cs1 104491946 574009241 /nfs/dbraw/zinc/00/92/41/574009241.db2.gz UVMBWKGUTHCMSH-SECBINFHSA-N 1 1 191.259 1.728 10 30 ADEEMO CN(C)c1cccc([C@@H]([NH3+])CC#N)c1 104494512 574009401 /nfs/dbraw/zinc/00/94/01/574009401.db2.gz DDSVDEPHQFIIAT-NSHDSACASA-N 1 1 189.262 1.666 10 30 ADEEMO COc1cc(C)c([C@H]([NH3+])CC#N)cn1 104490275 574009747 /nfs/dbraw/zinc/00/97/47/574009747.db2.gz FZZLNDGPAIXHBB-SECBINFHSA-N 1 1 191.234 1.312 10 30 ADEEMO CN(C)c1cccc([C@H]([NH3+])CC#N)c1 104494506 574011506 /nfs/dbraw/zinc/01/15/06/574011506.db2.gz DDSVDEPHQFIIAT-LLVKDONJSA-N 1 1 189.262 1.666 10 30 ADEEMO Cc1cc(C)c([C@H]([NH3+])C=O)c(C)c1 259271485 574010869 /nfs/dbraw/zinc/01/08/69/574010869.db2.gz IXYXPRMEVZROTQ-SNVBAGLBSA-N 1 1 177.247 1.811 10 30 ADEEMO Cc1cc(C)c(N)c([C@@H]([NH3+])CC#N)c1 104494522 574011204 /nfs/dbraw/zinc/01/12/04/574011204.db2.gz ZTBIILNAUUSUFK-JTQLQIEISA-N 1 1 189.262 1.799 10 30 ADEEMO COc1ccc([C@H]([NH3+])CC#N)c(C)n1 104490187 574011409 /nfs/dbraw/zinc/01/14/09/574011409.db2.gz HXMBZAYHFFPXET-SECBINFHSA-N 1 1 191.234 1.312 10 30 ADEEMO C[N@@H+](CCOCCS)C1CCC1 128047549 574011648 /nfs/dbraw/zinc/01/16/48/574011648.db2.gz JHHZSFYHMIYEOV-UHFFFAOYSA-N 1 1 189.324 1.417 10 30 ADEEMO N#CC[C@@H]([NH3+])c1ccc(=O)[nH]c1Cl 104496349 574011921 /nfs/dbraw/zinc/01/19/21/574011921.db2.gz GCXBPEMNBQLSQF-ZCFIWIBFSA-N 1 1 197.625 1.354 10 30 ADEEMO N#CC[C@@H]([NH3+])c1cc(F)cc(C#N)c1 104499337 574011986 /nfs/dbraw/zinc/01/19/86/574011986.db2.gz NBQPWGFQFZFALR-SNVBAGLBSA-N 1 1 189.193 1.611 10 30 ADEEMO N#CC[C@@H]1C[NH2+]Cc2occc21 259593140 574012024 /nfs/dbraw/zinc/01/20/24/574012024.db2.gz LNYVGXQQYCRDSS-SSDOTTSWSA-N 1 1 162.192 1.380 10 30 ADEEMO CC#CC(C)(C)[N@@H+](CC)CCO 238252554 574013442 /nfs/dbraw/zinc/01/34/42/574013442.db2.gz BFPSQGVBVFMVBD-UHFFFAOYSA-N 1 1 169.268 1.103 10 30 ADEEMO N#CC[C@H]([NH3+])c1cc(F)cc(C#N)c1 104499343 574014507 /nfs/dbraw/zinc/01/45/07/574014507.db2.gz NBQPWGFQFZFALR-JTQLQIEISA-N 1 1 189.193 1.611 10 30 ADEEMO N#CC[C@H]1C[NH2+]Cc2occc21 259593148 574014816 /nfs/dbraw/zinc/01/48/16/574014816.db2.gz LNYVGXQQYCRDSS-ZETCQYMHSA-N 1 1 162.192 1.380 10 30 ADEEMO N#CC[C@@H]([NH3+])c1ccc(C#N)c(F)c1 104498260 574015036 /nfs/dbraw/zinc/01/50/36/574015036.db2.gz LMVYEPWDSYTZEC-SNVBAGLBSA-N 1 1 189.193 1.611 10 30 ADEEMO CN(C)CC[C@H]1[NH2+]CCC[C@@H]1CC#N 259593167 574015073 /nfs/dbraw/zinc/01/50/73/574015073.db2.gz FQRRWWIVGPVVKJ-GHMZBOCLSA-N 1 1 195.310 1.220 10 30 ADEEMO C[NH+](C)CC[C@H]1NCCC[C@@H]1CC#N 259593167 574015075 /nfs/dbraw/zinc/01/50/75/574015075.db2.gz FQRRWWIVGPVVKJ-GHMZBOCLSA-N 1 1 195.310 1.220 10 30 ADEEMO COc1ccc(C)c([C@@H]([NH3+])CC#N)c1 104501574 574016329 /nfs/dbraw/zinc/01/63/29/574016329.db2.gz WFOOYRONGPPKKY-NSHDSACASA-N 1 1 190.246 1.917 10 30 ADEEMO N#CC[C@@H]([NH3+])c1cc(F)c(N)c(F)c1 104499637 574016348 /nfs/dbraw/zinc/01/63/48/574016348.db2.gz RMXPOWBIZOZADQ-MRVPVSSYSA-N 1 1 197.188 1.460 10 30 ADEEMO N#CCc1cccc([C@H]([NH3+])CC#N)c1 104502227 574016462 /nfs/dbraw/zinc/01/64/62/574016462.db2.gz PVEQFQIOXCGVKI-LLVKDONJSA-N 1 1 185.230 1.666 10 30 ADEEMO N#CCc1cccc([C@@H]([NH3+])CC#N)c1 104502231 574016561 /nfs/dbraw/zinc/01/65/61/574016561.db2.gz PVEQFQIOXCGVKI-NSHDSACASA-N 1 1 185.230 1.666 10 30 ADEEMO CCc1c(O)cccc1[C@@H]([NH3+])CC#N 104501587 574016791 /nfs/dbraw/zinc/01/67/91/574016791.db2.gz KROQYZKLAKXGEH-JTQLQIEISA-N 1 1 190.246 1.868 10 30 ADEEMO N#CCc1ccccc1[C@@H]([NH3+])CC#N 104502222 574016966 /nfs/dbraw/zinc/01/69/66/574016966.db2.gz VIMWJJUWJGNOJY-NSHDSACASA-N 1 1 185.230 1.666 10 30 ADEEMO Cc1cc([C@H]([NH3+])CC#N)ccc1C#N 104501164 574017716 /nfs/dbraw/zinc/01/77/16/574017716.db2.gz WJKRRGLMOZGUND-LLVKDONJSA-N 1 1 185.230 1.780 10 30 ADEEMO C#Cc1cccc([C@H]([NH3+])CC#N)c1 104507838 574018432 /nfs/dbraw/zinc/01/84/32/574018432.db2.gz PRNBVLPUMALONM-LLVKDONJSA-N 1 1 170.215 1.581 10 30 ADEEMO N#CC1CC[NH+](CCF)CC1 87689906 574018159 /nfs/dbraw/zinc/01/81/59/574018159.db2.gz ADBBHLHFROVCMX-UHFFFAOYSA-N 1 1 156.204 1.191 10 30 ADEEMO Cc1cc(N)ccc1[C@H]([NH3+])CC#N 104505895 574018287 /nfs/dbraw/zinc/01/82/87/574018287.db2.gz DCSIVDDFXIKCHA-SNVBAGLBSA-N 1 1 175.235 1.491 10 30 ADEEMO CCc1ccc(O)cc1[C@@H]([NH3+])CC#N 104504553 574019882 /nfs/dbraw/zinc/01/98/82/574019882.db2.gz PGETZWINMHIFGQ-NSHDSACASA-N 1 1 190.246 1.868 10 30 ADEEMO Cc1c(N)ccc([C@H]([NH3+])CC#N)c1F 104508503 574020032 /nfs/dbraw/zinc/02/00/32/574020032.db2.gz KMRQWHKRQCRDHX-SECBINFHSA-N 1 1 193.225 1.630 10 30 ADEEMO COCC[N@H+]1CCC[C@H](C#N)C1(C)C 259274674 574020069 /nfs/dbraw/zinc/02/00/69/574020069.db2.gz GEXOCEOJZQQNDQ-SNVBAGLBSA-N 1 1 196.294 1.647 10 30 ADEEMO N#CC[C@H]([NH3+])c1cnc2[nH]ccc2c1 104504318 574020350 /nfs/dbraw/zinc/02/03/50/574020350.db2.gz BOJLYCFLAXIPGA-VIFPVBQESA-N 1 1 186.218 1.476 10 30 ADEEMO Cc1cc(N)c(F)cc1[C@H]([NH3+])CC#N 104515000 574021360 /nfs/dbraw/zinc/02/13/60/574021360.db2.gz GLCHGBOACYRCMN-SECBINFHSA-N 1 1 193.225 1.630 10 30 ADEEMO C[NH2+][C@@H](CC#N)c1cccc(OC)c1 259278850 574021606 /nfs/dbraw/zinc/02/16/06/574021606.db2.gz IEPCHQZSFNJYNH-NSHDSACASA-N 1 1 190.246 1.869 10 30 ADEEMO C[N@H+](CC(=O)CC#N)C(C)(C)C 259277675 574021833 /nfs/dbraw/zinc/02/18/33/574021833.db2.gz RMHHPNZLSAUHHP-UHFFFAOYSA-N 1 1 168.240 1.199 10 30 ADEEMO C[N@@H+](CC(=O)CC#N)C(C)(C)C 259277675 574021835 /nfs/dbraw/zinc/02/18/35/574021835.db2.gz RMHHPNZLSAUHHP-UHFFFAOYSA-N 1 1 168.240 1.199 10 30 ADEEMO C[NH2+][C@H](CC#N)c1cccc(OC)c1 259278848 574021938 /nfs/dbraw/zinc/02/19/38/574021938.db2.gz IEPCHQZSFNJYNH-LLVKDONJSA-N 1 1 190.246 1.869 10 30 ADEEMO C[NH2+][C@@H](C=O)c1ccc(Cl)s1 259278876 574022253 /nfs/dbraw/zinc/02/22/53/574022253.db2.gz IEUSQZNKLZUCBH-YFKPBYRVSA-N 1 1 189.667 1.861 10 30 ADEEMO N#CC[C@@H]([NH3+])c1ccc(N)cc1 104515777 574022805 /nfs/dbraw/zinc/02/28/05/574022805.db2.gz LHZYIVXOINTNPP-SECBINFHSA-N 1 1 161.208 1.182 10 30 ADEEMO Cc1cc([C@H]([NH3+])CC#N)c(F)cc1N 104515773 574022837 /nfs/dbraw/zinc/02/28/37/574022837.db2.gz NFWXJWBHYJTFOR-SECBINFHSA-N 1 1 193.225 1.630 10 30 ADEEMO Cc1cc([C@H]([NH3+])CC#N)cnc1F 104521816 574024942 /nfs/dbraw/zinc/02/49/42/574024942.db2.gz AGDUJWYVNIVZAS-MRVPVSSYSA-N 1 1 179.198 1.443 10 30 ADEEMO C=CC[N@@H+](CC(C)(C)C[NH3+])C(C)C 131817068 574024976 /nfs/dbraw/zinc/02/49/76/574024976.db2.gz YEGXKHQQPIMOPE-UHFFFAOYSA-N 1 1 184.327 1.868 10 30 ADEEMO C=CC[N@H+](CC(C)(C)CN)C(C)C 131817068 574024979 /nfs/dbraw/zinc/02/49/79/574024979.db2.gz YEGXKHQQPIMOPE-UHFFFAOYSA-N 1 1 184.327 1.868 10 30 ADEEMO C=CC[N@@H+](CC(C)(C)CN)C(C)C 131817068 574024981 /nfs/dbraw/zinc/02/49/81/574024981.db2.gz YEGXKHQQPIMOPE-UHFFFAOYSA-N 1 1 184.327 1.868 10 30 ADEEMO C=CCN(CC(C)(C)C[NH3+])C(C)C 131817068 574024984 /nfs/dbraw/zinc/02/49/84/574024984.db2.gz YEGXKHQQPIMOPE-UHFFFAOYSA-N 1 1 184.327 1.868 10 30 ADEEMO COc1cncc([C@H]([NH3+])CC#N)c1 104521686 574025017 /nfs/dbraw/zinc/02/50/17/574025017.db2.gz POAOCJBEXJPAMP-SECBINFHSA-N 1 1 177.207 1.004 10 30 ADEEMO CC(C)[C@H](CN(C)C)[NH2+][C@@H](C)CC#N 49205161 574025282 /nfs/dbraw/zinc/02/52/82/574025282.db2.gz LPJFULKZWYLFQY-QWRGUYRKSA-N 1 1 197.326 1.464 10 30 ADEEMO Cc1cc(=O)[nH]cc1[C@H]([NH3+])CC#N 104523648 574025309 /nfs/dbraw/zinc/02/53/09/574025309.db2.gz HZZKPTWVKIZJTC-MRVPVSSYSA-N 1 1 177.207 1.009 10 30 ADEEMO CN(C)c1ccccc1[C@H]([NH3+])CC#N 104521660 574025391 /nfs/dbraw/zinc/02/53/91/574025391.db2.gz UAKOFWSKWAPUCK-SNVBAGLBSA-N 1 1 189.262 1.666 10 30 ADEEMO CC(C)[C@H](CN(C)C)[NH2+]C[C@@H](C)C#N 49204799 574025465 /nfs/dbraw/zinc/02/54/65/574025465.db2.gz DWFNUAFALJZEQA-QWRGUYRKSA-N 1 1 197.326 1.322 10 30 ADEEMO C=CC[N@H+]1CC[C@@H](N)C12CC(C)C2 642839409 574025472 /nfs/dbraw/zinc/02/54/72/574025472.db2.gz LGGPRTBIESBNBF-HSOILSAZSA-N 1 1 180.295 1.374 10 30 ADEEMO C=CC[N@@H+]1CC[C@@H](N)C12CC(C)C2 642839409 574025475 /nfs/dbraw/zinc/02/54/75/574025475.db2.gz LGGPRTBIESBNBF-HSOILSAZSA-N 1 1 180.295 1.374 10 30 ADEEMO Cc1cnccc1[C@H]([NH3+])CC#N 104520626 574025528 /nfs/dbraw/zinc/02/55/28/574025528.db2.gz YMYPIVRWUARCSC-SECBINFHSA-N 1 1 161.208 1.304 10 30 ADEEMO N#CC[C@@H]([NH3+])c1ccc(F)nc1 104518425 574025568 /nfs/dbraw/zinc/02/55/68/574025568.db2.gz XCHQESSSNGZUDP-SSDOTTSWSA-N 1 1 165.171 1.134 10 30 ADEEMO C[N@H+]1C[C@H](C#N)CCC1(C)C 259280423 574027697 /nfs/dbraw/zinc/02/76/97/574027697.db2.gz GKRPUGIPUHYHQB-QMMMGPOBSA-N 1 1 152.241 1.630 10 30 ADEEMO C[C@H](C[NH+]1CCCC1)NCCCC#N 49180272 574027705 /nfs/dbraw/zinc/02/77/05/574027705.db2.gz AXVUOONXTUQEJV-LLVKDONJSA-N 1 1 195.310 1.364 10 30 ADEEMO C[N@H+]1C[C@@H](C#N)CCC1(C)C 259280420 574027827 /nfs/dbraw/zinc/02/78/27/574027827.db2.gz GKRPUGIPUHYHQB-MRVPVSSYSA-N 1 1 152.241 1.630 10 30 ADEEMO C[C@@H](C[NH+]1CCCC1)NCCCC#N 49180270 574028003 /nfs/dbraw/zinc/02/80/03/574028003.db2.gz AXVUOONXTUQEJV-NSHDSACASA-N 1 1 195.310 1.364 10 30 ADEEMO CC1(C)CC[C@]([NH3+])(C#N)C1 87772636 574028318 /nfs/dbraw/zinc/02/83/18/574028318.db2.gz YAJCBQVLWCEMOE-MRVPVSSYSA-N 1 1 138.214 1.418 10 30 ADEEMO C[NH2+][C@@H](S)c1cc[nH]c1 259286358 574031580 /nfs/dbraw/zinc/03/15/80/574031580.db2.gz IMQKPSNWIVACNJ-LURJTMIESA-N 1 1 142.227 1.163 10 30 ADEEMO CN(CC#N)[C@H]1CC[N@H+](C(C)(C)C)C1 259291359 574036838 /nfs/dbraw/zinc/03/68/38/574036838.db2.gz KYYAUEGLHKMNSQ-JTQLQIEISA-N 1 1 195.310 1.315 10 30 ADEEMO C[N@H+]1CC[C@@H](CC(C)(C)C#N)C1 259291259 574036950 /nfs/dbraw/zinc/03/69/50/574036950.db2.gz ZYLSREDYSDIWMD-VIFPVBQESA-N 1 1 166.268 1.878 10 30 ADEEMO COc1ccc(F)cc1[C@H]([NH3+])S 259294642 574041957 /nfs/dbraw/zinc/04/19/57/574041957.db2.gz HWFJPTQGYUTYGW-MRVPVSSYSA-N 1 1 187.239 1.721 10 30 ADEEMO COc1ccc(F)cc1[C@@H]([NH3+])S 259294648 574042192 /nfs/dbraw/zinc/04/21/92/574042192.db2.gz HWFJPTQGYUTYGW-QMMMGPOBSA-N 1 1 187.239 1.721 10 30 ADEEMO C[C@H](CCN(C)C)[NH2+]CCCC#N 49557700 574043643 /nfs/dbraw/zinc/04/36/43/574043643.db2.gz DBQFVJCNIKXBCH-SNVBAGLBSA-N 1 1 183.299 1.220 10 30 ADEEMO C=CCCCNC(=O)[C@H]1CC[N@H+]1CC 1156734831 760703910 /nfs/dbraw/zinc/70/39/10/760703910.db2.gz JJZDGKTWNGIPHF-SNVBAGLBSA-N 1 1 196.294 1.163 10 30 ADEEMO C=CCCCNC(=O)[C@H]1CC[N@@H+]1CC 1156734831 760703923 /nfs/dbraw/zinc/70/39/23/760703923.db2.gz JJZDGKTWNGIPHF-SNVBAGLBSA-N 1 1 196.294 1.163 10 30 ADEEMO C=CCCCNC(=O)[C@@H]1CC[N@H+]1CC 1156734830 760705823 /nfs/dbraw/zinc/70/58/23/760705823.db2.gz JJZDGKTWNGIPHF-JTQLQIEISA-N 1 1 196.294 1.163 10 30 ADEEMO C=CCCCNC(=O)[C@@H]1CC[N@@H+]1CC 1156734830 760705846 /nfs/dbraw/zinc/70/58/46/760705846.db2.gz JJZDGKTWNGIPHF-JTQLQIEISA-N 1 1 196.294 1.163 10 30 ADEEMO C#CCNc1nc(NCCC)cc[nH+]1 1163357856 760836365 /nfs/dbraw/zinc/83/63/65/760836365.db2.gz XRTQCWAUZIUXKB-UHFFFAOYSA-N 1 1 190.250 1.344 10 30 ADEEMO C#CCNc1cccn2cc[nH+]c12 1163361884 760836756 /nfs/dbraw/zinc/83/67/56/760836756.db2.gz GEIUKDPOFKIUPZ-UHFFFAOYSA-N 1 1 171.203 1.379 10 30 ADEEMO C#CCNc1cccc(CC)[nH+]1 1163367866 760837396 /nfs/dbraw/zinc/83/73/96/760837396.db2.gz HTVMDZWTKCGTOV-UHFFFAOYSA-N 1 1 160.220 1.689 10 30 ADEEMO C=C(C)CNc1nc(NC)cc[nH+]1 1163374012 760837784 /nfs/dbraw/zinc/83/77/84/760837784.db2.gz FEPJBGQDOUDVPW-UHFFFAOYSA-N 1 1 178.239 1.506 10 30 ADEEMO C#CC[N@@H+](CC)Cc1cc(C#N)ccn1 1167576209 760864588 /nfs/dbraw/zinc/86/45/88/760864588.db2.gz LSKYSIDPFMLVTA-UHFFFAOYSA-N 1 1 199.257 1.408 10 30 ADEEMO C#CC[N@H+](CC)Cc1cc(C#N)ccn1 1167576209 760864589 /nfs/dbraw/zinc/86/45/89/760864589.db2.gz LSKYSIDPFMLVTA-UHFFFAOYSA-N 1 1 199.257 1.408 10 30 ADEEMO N#C[C@@H]1CCC[N@@H+]1[C@H]1C[C@@H]2C[C@@H]2C1 1167932747 760884812 /nfs/dbraw/zinc/88/48/12/760884812.db2.gz ZKBJUMNIUZKGCE-VLEAKVRGSA-N 1 1 176.263 1.773 10 30 ADEEMO N#C[C@@H]1CCC[N@H+]1[C@H]1C[C@@H]2C[C@@H]2C1 1167932747 760884814 /nfs/dbraw/zinc/88/48/14/760884814.db2.gz ZKBJUMNIUZKGCE-VLEAKVRGSA-N 1 1 176.263 1.773 10 30 ADEEMO N#C[C@@H]1CCC[N@@H+]1[C@@H]1C[C@@H]2C[C@@H]2C1 1167932748 760885466 /nfs/dbraw/zinc/88/54/66/760885466.db2.gz ZKBJUMNIUZKGCE-ZRUFSTJUSA-N 1 1 176.263 1.773 10 30 ADEEMO N#C[C@@H]1CCC[N@H+]1[C@@H]1C[C@@H]2C[C@@H]2C1 1167932748 760885467 /nfs/dbraw/zinc/88/54/67/760885467.db2.gz ZKBJUMNIUZKGCE-ZRUFSTJUSA-N 1 1 176.263 1.773 10 30 ADEEMO CCC#C[C@H](C)[N@H+](C)Cc1cn[nH]c1 1167960260 760887016 /nfs/dbraw/zinc/88/70/16/760887016.db2.gz TVBWAYFWKBFSHR-JTQLQIEISA-N 1 1 191.278 1.643 10 30 ADEEMO CCC#C[C@H](C)[N@@H+](C)Cc1cn[nH]c1 1167960260 760887017 /nfs/dbraw/zinc/88/70/17/760887017.db2.gz TVBWAYFWKBFSHR-JTQLQIEISA-N 1 1 191.278 1.643 10 30 ADEEMO CCC#C[C@@H](C)[N@H+](C)Cc1cn[nH]c1 1167960265 760887508 /nfs/dbraw/zinc/88/75/08/760887508.db2.gz TVBWAYFWKBFSHR-SNVBAGLBSA-N 1 1 191.278 1.643 10 30 ADEEMO CCC#C[C@@H](C)[N@@H+](C)Cc1cn[nH]c1 1167960265 760887509 /nfs/dbraw/zinc/88/75/09/760887509.db2.gz TVBWAYFWKBFSHR-SNVBAGLBSA-N 1 1 191.278 1.643 10 30 ADEEMO C#CC[N@@H+](CC1CC1)CC(C)(C)O 1168235303 760897102 /nfs/dbraw/zinc/89/71/02/760897102.db2.gz SQUIWLXTQAEBPB-UHFFFAOYSA-N 1 1 181.279 1.103 10 30 ADEEMO C#C[C@H](C)N[C@H]1C[C@@H]2CC[C@H](C1)[N@H+]2C 1169100747 760942488 /nfs/dbraw/zinc/94/24/88/760942488.db2.gz MHWIODQVZXACBC-FIQHERPVSA-N 1 1 192.306 1.223 10 30 ADEEMO C#C[C@H](C)[NH2+][C@H]1C[C@@H]2CC[C@H](C1)N2C 1169100747 760942586 /nfs/dbraw/zinc/94/25/86/760942586.db2.gz MHWIODQVZXACBC-FIQHERPVSA-N 1 1 192.306 1.223 10 30 ADEEMO C#C[C@H](C)N[C@@H]1C[C@@H]2CC[C@H](C1)[N@H+]2C 1169100750 760945611 /nfs/dbraw/zinc/94/56/11/760945611.db2.gz MHWIODQVZXACBC-YFKTTZPYSA-N 1 1 192.306 1.223 10 30 ADEEMO C#C[C@H](C)[NH2+][C@@H]1C[C@@H]2CC[C@H](C1)N2C 1169100750 760945690 /nfs/dbraw/zinc/94/56/90/760945690.db2.gz MHWIODQVZXACBC-YFKTTZPYSA-N 1 1 192.306 1.223 10 30 ADEEMO C#C[C@@H](C)N[C@@H]1C[C@@H]2CC[C@H](C1)[N@H+]2C 1169100749 760947027 /nfs/dbraw/zinc/94/70/27/760947027.db2.gz MHWIODQVZXACBC-WISYIIOYSA-N 1 1 192.306 1.223 10 30 ADEEMO C#C[C@@H](C)[NH2+][C@@H]1C[C@@H]2CC[C@H](C1)N2C 1169100749 760947096 /nfs/dbraw/zinc/94/70/96/760947096.db2.gz MHWIODQVZXACBC-WISYIIOYSA-N 1 1 192.306 1.223 10 30 ADEEMO C#C[C@@H](C)N[C@H]1C[C@@H]2CC[C@H](C1)[N@H+]2C 1169100748 760960952 /nfs/dbraw/zinc/96/09/52/760960952.db2.gz MHWIODQVZXACBC-KKOKHZNYSA-N 1 1 192.306 1.223 10 30 ADEEMO C#C[C@@H](C)[NH2+][C@H]1C[C@@H]2CC[C@H](C1)N2C 1169100748 760961044 /nfs/dbraw/zinc/96/10/44/760961044.db2.gz MHWIODQVZXACBC-KKOKHZNYSA-N 1 1 192.306 1.223 10 30 ADEEMO C=CCC[N@H+](C)CC#CC 1169351820 760968098 /nfs/dbraw/zinc/96/80/98/760968098.db2.gz COEPSIODXRYQBW-UHFFFAOYSA-N 1 1 137.226 1.518 10 30 ADEEMO C#CCOCC[N@@H+]1CC[C@@H](CC)[C@H]1C 1169493992 760969620 /nfs/dbraw/zinc/96/96/20/760969620.db2.gz ATZVATSZHXDNKD-VXGBXAGGSA-N 1 1 195.306 1.757 10 30 ADEEMO C#CCOCC[N@@H+]1CC[C@H](CC)[C@@H]1C 1169493991 760973149 /nfs/dbraw/zinc/97/31/49/760973149.db2.gz ATZVATSZHXDNKD-RYUDHWBXSA-N 1 1 195.306 1.757 10 30 ADEEMO C#CCOCC[N@@H+]1CC[C@@H](CC)[C@@H]1C 1169493990 760978804 /nfs/dbraw/zinc/97/88/04/760978804.db2.gz ATZVATSZHXDNKD-NWDGAFQWSA-N 1 1 195.306 1.757 10 30 ADEEMO C#CCOCC[N@@H+]1CC[C@H](CC)[C@H]1C 1169493989 760980250 /nfs/dbraw/zinc/98/02/50/760980250.db2.gz ATZVATSZHXDNKD-NEPJUHHUSA-N 1 1 195.306 1.757 10 30 ADEEMO C#CC[N@H+](C)[C@H](C)[C@@H](C)CC 1169964081 760997576 /nfs/dbraw/zinc/99/75/76/760997576.db2.gz VDZSEQCBZLIMAP-VHSXEESVSA-N 1 1 153.269 1.986 10 30 ADEEMO C#CC[N@H+](C)[C@@H](C)[C@H](C)CC 1169964082 761000324 /nfs/dbraw/zinc/00/03/24/761000324.db2.gz VDZSEQCBZLIMAP-ZJUUUORDSA-N 1 1 153.269 1.986 10 30 ADEEMO C#CC[N@H+](C)[C@@H](C)[C@@H](C)CC 1169964080 761001738 /nfs/dbraw/zinc/00/17/38/761001738.db2.gz VDZSEQCBZLIMAP-UWVGGRQHSA-N 1 1 153.269 1.986 10 30 ADEEMO C=C[C@@H](CO)Nc1cccc(CC)[nH+]1 1169784843 761001967 /nfs/dbraw/zinc/00/19/67/761001967.db2.gz WCQNHGZVYMBFLB-JTQLQIEISA-N 1 1 192.262 1.603 10 30 ADEEMO C=CCN(C)CC[N@H+](CC)CC1CC1 1169832347 761002283 /nfs/dbraw/zinc/00/22/83/761002283.db2.gz FYRVGGNGOBHFJI-UHFFFAOYSA-N 1 1 196.338 1.836 10 30 ADEEMO C#CC[N@H+](C)[C@H](C)[C@H](C)CC 1169964079 761004319 /nfs/dbraw/zinc/00/43/19/761004319.db2.gz VDZSEQCBZLIMAP-NXEZZACHSA-N 1 1 153.269 1.986 10 30 ADEEMO CC[C@H]1C[C@@H]([N@@H+](C)CCC#N)CCO1 1170204826 761038977 /nfs/dbraw/zinc/03/89/77/761038977.db2.gz SHTBSTCIIJUTOF-QWRGUYRKSA-N 1 1 196.294 1.789 10 30 ADEEMO CC[C@H]1C[C@H]([N@@H+](C)CCC#N)CCO1 1170204825 761040559 /nfs/dbraw/zinc/04/05/59/761040559.db2.gz SHTBSTCIIJUTOF-MNOVXSKESA-N 1 1 196.294 1.789 10 30 ADEEMO CC[C@@H]1C[C@@H]([N@@H+](C)CCC#N)CCO1 1170204828 761040974 /nfs/dbraw/zinc/04/09/74/761040974.db2.gz SHTBSTCIIJUTOF-WDEREUQCSA-N 1 1 196.294 1.789 10 30 ADEEMO CC[C@@H]1C[C@H]([N@@H+](C)CCC#N)CCO1 1170204823 761043465 /nfs/dbraw/zinc/04/34/65/761043465.db2.gz SHTBSTCIIJUTOF-GHMZBOCLSA-N 1 1 196.294 1.789 10 30 ADEEMO C=C(C)C[N@@H+]1CC[C@H](O)[C@@H]1C 1170323147 761045477 /nfs/dbraw/zinc/04/54/77/761045477.db2.gz ACXAHPFKYINCTQ-IUCAKERBSA-N 1 1 155.241 1.018 10 30 ADEEMO C#CC[N@H+](C)[C@@H]1CCO[C@H](CC)C1 1170225742 761046387 /nfs/dbraw/zinc/04/63/87/761046387.db2.gz BRWMVAQPXBUVLB-GHMZBOCLSA-N 1 1 181.279 1.509 10 30 ADEEMO C#CC[N@H+](C)[C@H]1CCO[C@H](CC)C1 1170225745 761047822 /nfs/dbraw/zinc/04/78/22/761047822.db2.gz BRWMVAQPXBUVLB-WDEREUQCSA-N 1 1 181.279 1.509 10 30 ADEEMO C=CCCCNc1nc(NC)cc[nH+]1 1170296458 761049439 /nfs/dbraw/zinc/04/94/39/761049439.db2.gz JXKJTQOGIHFMRO-UHFFFAOYSA-N 1 1 192.266 1.896 10 30 ADEEMO C#CC[N@H+](C)[C@H]1CCO[C@@H](CC)C1 1170225744 761049537 /nfs/dbraw/zinc/04/95/37/761049537.db2.gz BRWMVAQPXBUVLB-QWRGUYRKSA-N 1 1 181.279 1.509 10 30 ADEEMO C#CC[N@H+](C)[C@@H]1CCO[C@@H](CC)C1 1170225743 761050511 /nfs/dbraw/zinc/05/05/11/761050511.db2.gz BRWMVAQPXBUVLB-MNOVXSKESA-N 1 1 181.279 1.509 10 30 ADEEMO CC#CC[N@H+]1C[C@H]2CC[C@@H](O)C[C@H]2C1 1171937050 761085043 /nfs/dbraw/zinc/08/50/43/761085043.db2.gz JPACPQFCHBFSKG-GRYCIOLGSA-N 1 1 193.290 1.103 10 30 ADEEMO CC1(C)C[C@@H]([N@@H+]2CC[C@@H](C#N)C2)CO1 1172287754 761099361 /nfs/dbraw/zinc/09/93/61/761099361.db2.gz BVRQTAFZMNCUGA-VHSXEESVSA-N 1 1 194.278 1.399 10 30 ADEEMO CC1(C)C[C@@H]([N@H+]2CC[C@@H](C#N)C2)CO1 1172287754 761099375 /nfs/dbraw/zinc/09/93/75/761099375.db2.gz BVRQTAFZMNCUGA-VHSXEESVSA-N 1 1 194.278 1.399 10 30 ADEEMO CC1(C)C[C@@H]([N@@H+]2CC[C@H](C#N)C2)CO1 1172287747 761099716 /nfs/dbraw/zinc/09/97/16/761099716.db2.gz BVRQTAFZMNCUGA-NXEZZACHSA-N 1 1 194.278 1.399 10 30 ADEEMO CC1(C)C[C@@H]([N@H+]2CC[C@H](C#N)C2)CO1 1172287747 761099726 /nfs/dbraw/zinc/09/97/26/761099726.db2.gz BVRQTAFZMNCUGA-NXEZZACHSA-N 1 1 194.278 1.399 10 30 ADEEMO C#CC[NH+](CC#C)[C@H]1COC(C)(C)C1 1172291788 761099896 /nfs/dbraw/zinc/09/98/96/761099896.db2.gz JDWJZYUZOZFMKR-LLVKDONJSA-N 1 1 191.274 1.122 10 30 ADEEMO CC1(C)C[C@H]([N@@H+]2CC[C@@H](C#N)C2)CO1 1172287750 761101521 /nfs/dbraw/zinc/10/15/21/761101521.db2.gz BVRQTAFZMNCUGA-UWVGGRQHSA-N 1 1 194.278 1.399 10 30 ADEEMO CC1(C)C[C@H]([N@H+]2CC[C@@H](C#N)C2)CO1 1172287750 761101537 /nfs/dbraw/zinc/10/15/37/761101537.db2.gz BVRQTAFZMNCUGA-UWVGGRQHSA-N 1 1 194.278 1.399 10 30 ADEEMO CC1(C)C[C@H]([N@@H+]2CC[C@H](C#N)C2)CO1 1172287757 761102262 /nfs/dbraw/zinc/10/22/62/761102262.db2.gz BVRQTAFZMNCUGA-ZJUUUORDSA-N 1 1 194.278 1.399 10 30 ADEEMO CC1(C)C[C@H]([N@H+]2CC[C@H](C#N)C2)CO1 1172287757 761102283 /nfs/dbraw/zinc/10/22/83/761102283.db2.gz BVRQTAFZMNCUGA-ZJUUUORDSA-N 1 1 194.278 1.399 10 30 ADEEMO C#CC[NH+](CC#C)[C@@H]1COC(C)(C)C1 1172291789 761104412 /nfs/dbraw/zinc/10/44/12/761104412.db2.gz JDWJZYUZOZFMKR-NSHDSACASA-N 1 1 191.274 1.122 10 30 ADEEMO C=CCCC[N@H+]1CCn2nccc2C1 1174863514 761398433 /nfs/dbraw/zinc/39/84/33/761398433.db2.gz PTWSNSKKGVUPHC-UHFFFAOYSA-N 1 1 191.278 1.665 10 30 ADEEMO C=C(C)CC[N@H+]1C[C@H]2COC(=O)[C@H]2C1 1175111902 761401337 /nfs/dbraw/zinc/40/13/37/761401337.db2.gz LPRVJMHJSXQPMW-UWVGGRQHSA-N 1 1 195.262 1.057 10 30 ADEEMO N#Cc1ccnc(C[N@@H+]2C[C@H]3C[C@H]3C2)c1 1176061177 761427197 /nfs/dbraw/zinc/42/71/97/761427197.db2.gz HFPBMPPBSAXMCY-PHIMTYICSA-N 1 1 199.257 1.405 10 30 ADEEMO C=CC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](O)[C@H]2C1 1176105623 761431942 /nfs/dbraw/zinc/43/19/42/761431942.db2.gz NKPFFZHNLLBHQE-WHOHXGKFSA-N 1 1 195.306 1.654 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](O)[C@H]2C1 1176105631 761435215 /nfs/dbraw/zinc/43/52/15/761435215.db2.gz NKPFFZHNLLBHQE-WISYIIOYSA-N 1 1 195.306 1.654 10 30 ADEEMO C#CCOCC[N@@H+]1CCC[C@H]1CCC 1176782780 761438827 /nfs/dbraw/zinc/43/88/27/761438827.db2.gz NTRLUDYYKKHSSN-GFCCVEGCSA-N 1 1 195.306 1.901 10 30 ADEEMO C#CC1(O)C[NH+]([C@@H](C)CC(C)C)C1 1176793818 761439698 /nfs/dbraw/zinc/43/96/98/761439698.db2.gz VZFWXWJQXBUOPN-JTQLQIEISA-N 1 1 181.279 1.101 10 30 ADEEMO C#CC1(O)C[NH+]([C@H](C)CC(C)C)C1 1176793819 761442963 /nfs/dbraw/zinc/44/29/63/761442963.db2.gz VZFWXWJQXBUOPN-SNVBAGLBSA-N 1 1 181.279 1.101 10 30 ADEEMO C#CCOCC[N@@H+]1CCC[C@@H]1CCC 1176782782 761445396 /nfs/dbraw/zinc/44/53/96/761445396.db2.gz NTRLUDYYKKHSSN-LBPRGKRZSA-N 1 1 195.306 1.901 10 30 ADEEMO C#C[C@@H]1CCCC[N@@H+]1CC 1176832804 761447057 /nfs/dbraw/zinc/44/70/57/761447057.db2.gz JDGNJVIYLNEJBP-SECBINFHSA-N 1 1 137.226 1.494 10 30 ADEEMO C#C[C@H]1CCCC[N@@H+]1CC 1176832805 761452338 /nfs/dbraw/zinc/45/23/38/761452338.db2.gz JDGNJVIYLNEJBP-VIFPVBQESA-N 1 1 137.226 1.494 10 30 ADEEMO C=CC[N@@H+](C)Cc1cncn1CCC 1181055156 761493297 /nfs/dbraw/zinc/49/32/97/761493297.db2.gz KBKSQAGJXAOATG-UHFFFAOYSA-N 1 1 193.294 1.911 10 30 ADEEMO C=CC[N@H+](C)Cc1cncn1CCC 1181055156 761493300 /nfs/dbraw/zinc/49/33/00/761493300.db2.gz KBKSQAGJXAOATG-UHFFFAOYSA-N 1 1 193.294 1.911 10 30 ADEEMO C#C[C@H](C)[NH2+]Cc1ccn(CC)n1 1181647537 761521786 /nfs/dbraw/zinc/52/17/86/761521786.db2.gz VRUIEXIGCLEGAW-VIFPVBQESA-N 1 1 177.251 1.014 10 30 ADEEMO C#C[C@@H](C)[NH2+]Cc1ccn(CC)n1 1181647535 761524112 /nfs/dbraw/zinc/52/41/12/761524112.db2.gz VRUIEXIGCLEGAW-SECBINFHSA-N 1 1 177.251 1.014 10 30 ADEEMO C#CC[N@H+](C)C[C@H]1CCO[C@@H](CC)C1 1184116412 761552209 /nfs/dbraw/zinc/55/22/09/761552209.db2.gz XOOOAYQXJTXSTH-RYUDHWBXSA-N 1 1 195.306 1.757 10 30 ADEEMO C#CC[N@H+](C)CC1(C(C)C)CC1 1184115592 761552482 /nfs/dbraw/zinc/55/24/82/761552482.db2.gz KBUWNYBVNJYELW-UHFFFAOYSA-N 1 1 165.280 1.988 10 30 ADEEMO C#CC1(O)C[NH+](CC2(C(C)C)CC2)C1 1184175855 761552740 /nfs/dbraw/zinc/55/27/40/761552740.db2.gz AOCRVGQAUWIJIS-UHFFFAOYSA-N 1 1 193.290 1.103 10 30 ADEEMO C#CC[N@H+](C)C[C@H]1CCO[C@H](CC)C1 1184116411 761554082 /nfs/dbraw/zinc/55/40/82/761554082.db2.gz XOOOAYQXJTXSTH-NWDGAFQWSA-N 1 1 195.306 1.757 10 30 ADEEMO CC#CC[N@@H+](C)C[C@]1(C)CCCCO1 1184115362 761556653 /nfs/dbraw/zinc/55/66/53/761556653.db2.gz FBSOONZJFBCSPO-LBPRGKRZSA-N 1 1 195.306 1.901 10 30 ADEEMO C#CC[N@H+](C)CC1(OC)CCCC1 1184115628 761556770 /nfs/dbraw/zinc/55/67/70/761556770.db2.gz LITZLHNLPKNVNR-UHFFFAOYSA-N 1 1 181.279 1.511 10 30 ADEEMO C#CC[N@H+](C)C[C@@H]1CCO[C@H](CC)C1 1184116413 761557288 /nfs/dbraw/zinc/55/72/88/761557288.db2.gz XOOOAYQXJTXSTH-VXGBXAGGSA-N 1 1 195.306 1.757 10 30 ADEEMO CC#CC[N@@H+](C)C[C@@]1(C)CCCCO1 1184115361 761558671 /nfs/dbraw/zinc/55/86/71/761558671.db2.gz FBSOONZJFBCSPO-GFCCVEGCSA-N 1 1 195.306 1.901 10 30 ADEEMO C#CC[N@H+](C)C[C@@H]1CCO[C@@H](CC)C1 1184116410 761558977 /nfs/dbraw/zinc/55/89/77/761558977.db2.gz XOOOAYQXJTXSTH-NEPJUHHUSA-N 1 1 195.306 1.757 10 30 ADEEMO C=CCC[N@H+](C)CC1CC1 1190399685 761593164 /nfs/dbraw/zinc/59/31/64/761593164.db2.gz OXOUVGXJAZAREE-UHFFFAOYSA-N 1 1 139.242 1.904 10 30 ADEEMO N#Cc1ccnc(C[N@H+]2CC=CCC2)c1 1192546734 761613094 /nfs/dbraw/zinc/61/30/94/761613094.db2.gz NSJLMIUPYXNLOP-UHFFFAOYSA-N 1 1 199.257 1.715 10 30 ADEEMO N#Cc1ccnc(C[N@@H+]2CC=CCC2)c1 1192546734 761613107 /nfs/dbraw/zinc/61/31/07/761613107.db2.gz NSJLMIUPYXNLOP-UHFFFAOYSA-N 1 1 199.257 1.715 10 30 ADEEMO N#Cc1ccnc(C[N@H+]2CC[C@@H]3C[C@@H]32)c1 1192990876 761617844 /nfs/dbraw/zinc/61/78/44/761617844.db2.gz URFCOXUBMUESKV-PWSUYJOCSA-N 1 1 199.257 1.547 10 30 ADEEMO N#Cc1ccnc(C[N@H+]2CC[C@H]3C[C@H]32)c1 1192990874 761620293 /nfs/dbraw/zinc/62/02/93/761620293.db2.gz URFCOXUBMUESKV-CMPLNLGQSA-N 1 1 199.257 1.547 10 30 ADEEMO C=CC[N@H+](C)CC12COC(C)(C1)C2 1193604348 761628786 /nfs/dbraw/zinc/62/87/86/761628786.db2.gz GJHRPLKLLKUURQ-UHFFFAOYSA-N 1 1 181.279 1.673 10 30 ADEEMO C#CCC[N@H+](CC)CCN(C)CC=C 1193920443 761652807 /nfs/dbraw/zinc/65/28/07/761652807.db2.gz NHLAHTHWIPKNDA-UHFFFAOYSA-N 1 1 194.322 1.449 10 30 ADEEMO C=CC[C@H](C)[N@H+]1C[C@H]2CCN(C)[C@H]2C1 1194519643 761673379 /nfs/dbraw/zinc/67/33/79/761673379.db2.gz QFTUBHNFNWYJFJ-TUAOUCFPSA-N 1 1 194.322 1.587 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1C[C@H]2CCN(C)[C@H]2C1 1194519644 761673766 /nfs/dbraw/zinc/67/37/66/761673766.db2.gz QFTUBHNFNWYJFJ-UTUOFQBUSA-N 1 1 194.322 1.587 10 30 ADEEMO C=C(CC)C[N@H+]1C[C@H]2COC(=O)[C@H]2C1 1196674099 761703963 /nfs/dbraw/zinc/70/39/63/761703963.db2.gz BRQODGOFHSWKHZ-UWVGGRQHSA-N 1 1 195.262 1.057 10 30 ADEEMO C=CCC[C@H]1CCC[N@@H+]1C[C@@H](C)O 1198414490 761710484 /nfs/dbraw/zinc/71/04/84/761710484.db2.gz UCELNEPDRGQICE-MNOVXSKESA-N 1 1 183.295 1.798 10 30 ADEEMO C=CCC[C@@H]1CCC[N@@H+]1C[C@@H](C)O 1198414489 761711040 /nfs/dbraw/zinc/71/10/40/761711040.db2.gz UCELNEPDRGQICE-GHMZBOCLSA-N 1 1 183.295 1.798 10 30 ADEEMO C=CCC[C@@H]1CCC[N@@H+]1CC(=O)OC 1198405797 761711760 /nfs/dbraw/zinc/71/17/60/761711760.db2.gz ATDHEBUHCSOZAA-SNVBAGLBSA-N 1 1 197.278 1.590 10 30 ADEEMO C=CCC[C@H]1CCC[N@@H+]1CC(=O)OC 1198405787 761712822 /nfs/dbraw/zinc/71/28/22/761712822.db2.gz ATDHEBUHCSOZAA-JTQLQIEISA-N 1 1 197.278 1.590 10 30 ADEEMO C#CC1(O)C[NH+](CCC(C)(C)C)C1 1198448776 761713195 /nfs/dbraw/zinc/71/31/95/761713195.db2.gz BORCAROQQCGEJQ-UHFFFAOYSA-N 1 1 181.279 1.103 10 30 ADEEMO C=CCC[N@H+]1CC[C@]2(CCOC2=O)C1 1198810650 761723606 /nfs/dbraw/zinc/72/36/06/761723606.db2.gz OVQVVOXLCVDPPD-NSHDSACASA-N 1 1 195.262 1.202 10 30 ADEEMO C=CCC[N@H+]1CC[C@@]2(CCOC2=O)C1 1198810649 761723837 /nfs/dbraw/zinc/72/38/37/761723837.db2.gz OVQVVOXLCVDPPD-LLVKDONJSA-N 1 1 195.262 1.202 10 30 ADEEMO C#CCC[N@H+]1CCCC[C@]12CCOC2 1198769081 761724810 /nfs/dbraw/zinc/72/48/10/761724810.db2.gz JGFPVDUZUMDUIV-GFCCVEGCSA-N 1 1 193.290 1.655 10 30 ADEEMO C#CCC[N@H+]1CCCC[C@@]12CCOC2 1198769082 761725891 /nfs/dbraw/zinc/72/58/91/761725891.db2.gz JGFPVDUZUMDUIV-LBPRGKRZSA-N 1 1 193.290 1.655 10 30 ADEEMO C#C[C@H]1CCC[N@H+](CC)C1 1201583043 761786322 /nfs/dbraw/zinc/78/63/22/761786322.db2.gz QPKWHGWYMNUZSR-VIFPVBQESA-N 1 1 137.226 1.352 10 30 ADEEMO C#C[C@@H]1CCC[N@H+](CC)C1 1201583038 761790498 /nfs/dbraw/zinc/79/04/98/761790498.db2.gz QPKWHGWYMNUZSR-SECBINFHSA-N 1 1 137.226 1.352 10 30 ADEEMO C=CC[N@H+](C)CC1CC1 1201942769 761812440 /nfs/dbraw/zinc/81/24/40/761812440.db2.gz QMFMNRXKJZXUQC-UHFFFAOYSA-N 1 1 125.215 1.514 10 30 ADEEMO C=CCCCCN1CC[C@@](C)([NH3+])C1 1204762679 761866214 /nfs/dbraw/zinc/86/62/14/761866214.db2.gz AQWAKIPZJDJBKP-LLVKDONJSA-N 1 1 182.311 1.766 10 30 ADEEMO C=CCCCCN1CC[C@](C)([NH3+])C1 1204762681 761866801 /nfs/dbraw/zinc/86/68/01/761866801.db2.gz AQWAKIPZJDJBKP-NSHDSACASA-N 1 1 182.311 1.766 10 30 ADEEMO C#CCO[C@H]1CC[N@H+](C(C)C)C1 1205012377 761882768 /nfs/dbraw/zinc/88/27/68/761882768.db2.gz NOXQHTVGWFAOKD-JTQLQIEISA-N 1 1 167.252 1.119 10 30 ADEEMO C#CCO[C@H]1CCC[N@H+](CC)C1 1205012572 761883245 /nfs/dbraw/zinc/88/32/45/761883245.db2.gz QVKKGILZNHOSQR-JTQLQIEISA-N 1 1 167.252 1.121 10 30 ADEEMO C#CCO[C@H]1CCC[N@H+](C(C)C)C1 1205012331 761883319 /nfs/dbraw/zinc/88/33/19/761883319.db2.gz MCBSRTAYUTTZJT-NSHDSACASA-N 1 1 181.279 1.509 10 30 ADEEMO C#CCO[C@@H]1CC[N@H+](C(C)C)C1 1205012378 761884024 /nfs/dbraw/zinc/88/40/24/761884024.db2.gz NOXQHTVGWFAOKD-SNVBAGLBSA-N 1 1 167.252 1.119 10 30 ADEEMO C#CCO[C@@H]1CCC[N@H+](CC)C1 1205012573 761884125 /nfs/dbraw/zinc/88/41/25/761884125.db2.gz QVKKGILZNHOSQR-SNVBAGLBSA-N 1 1 167.252 1.121 10 30 ADEEMO C#CCO[C@@H]1CCC[N@H+](C(C)C)C1 1205012330 761884136 /nfs/dbraw/zinc/88/41/36/761884136.db2.gz MCBSRTAYUTTZJT-LLVKDONJSA-N 1 1 181.279 1.509 10 30 ADEEMO C=CCCCC[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 1205130505 761900991 /nfs/dbraw/zinc/90/09/91/761900991.db2.gz GVLQGNVSQLMXMJ-NWDGAFQWSA-N 1 1 196.338 1.869 10 30 ADEEMO C=CCCCC[N@H+]1CC[C@@H](N)[C@H]1C 1205171626 761905686 /nfs/dbraw/zinc/90/56/86/761905686.db2.gz URVFVWPKIVDJNS-GHMZBOCLSA-N 1 1 182.311 1.764 10 30 ADEEMO C=CCCCC[N@@H+]1CC[C@@H](N)[C@H]1C 1205171626 761905692 /nfs/dbraw/zinc/90/56/92/761905692.db2.gz URVFVWPKIVDJNS-GHMZBOCLSA-N 1 1 182.311 1.764 10 30 ADEEMO C=CCCCCN1CC[C@@H]([NH3+])[C@H]1C 1205171626 761905698 /nfs/dbraw/zinc/90/56/98/761905698.db2.gz URVFVWPKIVDJNS-GHMZBOCLSA-N 1 1 182.311 1.764 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)C[C@]1(C)CCCCO1 1205568718 761968286 /nfs/dbraw/zinc/96/82/86/761968286.db2.gz MZDRDHZYXQEOCH-RYUDHWBXSA-N 1 1 195.306 1.899 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)C[C@]1(C)CCCCO1 1205568716 761970519 /nfs/dbraw/zinc/97/05/19/761970519.db2.gz MZDRDHZYXQEOCH-NEPJUHHUSA-N 1 1 195.306 1.899 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)C[C@@]1(C)CCCCO1 1205568719 761972724 /nfs/dbraw/zinc/97/27/24/761972724.db2.gz MZDRDHZYXQEOCH-VXGBXAGGSA-N 1 1 195.306 1.899 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)C[C@@]1(C)CCCCO1 1205568717 761973828 /nfs/dbraw/zinc/97/38/28/761973828.db2.gz MZDRDHZYXQEOCH-NWDGAFQWSA-N 1 1 195.306 1.899 10 30 ADEEMO C[N@H+]1CCC[C@H](OCCC#N)C1 1205609607 761975620 /nfs/dbraw/zinc/97/56/20/761975620.db2.gz AGCACGACZXPOSA-VIFPVBQESA-N 1 1 168.240 1.011 10 30 ADEEMO C[N@H+]1CCC[C@@H](OCCC#N)C1 1205609577 761975728 /nfs/dbraw/zinc/97/57/28/761975728.db2.gz AGCACGACZXPOSA-SECBINFHSA-N 1 1 168.240 1.011 10 30 ADEEMO C=CCCCCN1CC(C)(C[NH3+])C1 1206712243 762096950 /nfs/dbraw/zinc/09/69/50/762096950.db2.gz YKTBEJUKZQHEBN-UHFFFAOYSA-N 1 1 182.311 1.623 10 30 ADEEMO C#CC[N@H+](C)Cc1ccc(O)c(F)c1 1207711435 762161513 /nfs/dbraw/zinc/16/15/13/762161513.db2.gz GBRPHWQPYUIARX-UHFFFAOYSA-N 1 1 193.221 1.596 10 30 ADEEMO C#CC[N@@H+](C)Cc1cnc(F)c(C)c1 1207711498 762166368 /nfs/dbraw/zinc/16/63/68/762166368.db2.gz IUXHNNDXGPMNRE-UHFFFAOYSA-N 1 1 192.237 1.594 10 30 ADEEMO C#CC[N@H+](C)Cc1cnc(F)c(C)c1 1207711498 762166369 /nfs/dbraw/zinc/16/63/69/762166369.db2.gz IUXHNNDXGPMNRE-UHFFFAOYSA-N 1 1 192.237 1.594 10 30 ADEEMO C=CC[N@@H+](C)CCC1CC1 1208685059 762249706 /nfs/dbraw/zinc/24/97/06/762249706.db2.gz QNMYRFKLPBDFPM-UHFFFAOYSA-N 1 1 139.242 1.904 10 30 ADEEMO C#CC[N@H+](C)C[C@@H]1CCC=CO1 1208881565 762271510 /nfs/dbraw/zinc/27/15/10/762271510.db2.gz XTADAUGAWDVQQQ-JTQLQIEISA-N 1 1 165.236 1.244 10 30 ADEEMO C#CC[N@H+](C)C[C@H]1CCC=CO1 1208881583 762274768 /nfs/dbraw/zinc/27/47/68/762274768.db2.gz XTADAUGAWDVQQQ-SNVBAGLBSA-N 1 1 165.236 1.244 10 30 ADEEMO C=CCCC[N@H+]1CC[C@@]12CCOC2 1209163751 762283656 /nfs/dbraw/zinc/28/36/56/762283656.db2.gz KBIQJXWQAVNXNT-NSHDSACASA-N 1 1 181.279 1.817 10 30 ADEEMO C#CC[N@@H+](C)CCCc1cccnc1 1209179910 762283858 /nfs/dbraw/zinc/28/38/58/762283858.db2.gz HFAYKRSQDLXAPJ-UHFFFAOYSA-N 1 1 188.274 1.579 10 30 ADEEMO C=CCCC[N@H+](C)C1(C)COC1 1209161863 762284210 /nfs/dbraw/zinc/28/42/10/762284210.db2.gz FWPJQRWAMGZGRP-UHFFFAOYSA-N 1 1 169.268 1.673 10 30 ADEEMO C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C 1209163761 762284446 /nfs/dbraw/zinc/28/44/46/762284446.db2.gz KNZFEKPJCCEUFA-QWRGUYRKSA-N 1 1 180.295 1.341 10 30 ADEEMO C=CCCC[N@H+]1C[C@@H]2C[C@H](C1)O2 1209163132 762285238 /nfs/dbraw/zinc/28/52/38/762285238.db2.gz VFFIZHJBFHKTIE-AOOOYVTPSA-N 1 1 167.252 1.426 10 30 ADEEMO C=CCCC[N@H+]1CC[C@]12CCOC2 1209163749 762285273 /nfs/dbraw/zinc/28/52/73/762285273.db2.gz KBIQJXWQAVNXNT-LLVKDONJSA-N 1 1 181.279 1.817 10 30 ADEEMO C=CCCCC[N@H+]1CCC12COC2 1209205380 762288215 /nfs/dbraw/zinc/28/82/15/762288215.db2.gz XCWXNMVLDDJZBG-UHFFFAOYSA-N 1 1 181.279 1.817 10 30 ADEEMO C=CCCCC[NH+]1CC(N(C)C)C1 1209201527 762288579 /nfs/dbraw/zinc/28/85/79/762288579.db2.gz NUJRSACWABEQNV-UHFFFAOYSA-N 1 1 182.311 1.589 10 30 ADEEMO C=CCCCC[NH+]1CC(C)(N(C)C)C1 1209204973 762289026 /nfs/dbraw/zinc/28/90/26/762289026.db2.gz NDOVSVDAKOBBKR-UHFFFAOYSA-N 1 1 196.338 1.979 10 30 ADEEMO C=CCCCC[N@H+]1C[C@H](F)[C@H](O)C1 1209201851 762289048 /nfs/dbraw/zinc/28/90/48/762289048.db2.gz VMFFDAGUNLYLJC-VHSXEESVSA-N 1 1 187.258 1.357 10 30 ADEEMO C=CCCCC[N@@H+]1CC[C@@H](C(N)=O)C1 1209204482 762289223 /nfs/dbraw/zinc/28/92/23/762289223.db2.gz FIPPHCMLWSKBSU-SNVBAGLBSA-N 1 1 196.294 1.150 10 30 ADEEMO C=CCCCC[N@H+]1C[C@@H]2C[C@H](C1)O2 1209205578 762289274 /nfs/dbraw/zinc/28/92/74/762289274.db2.gz ZQUOVFNUTWRRRB-PHIMTYICSA-N 1 1 181.279 1.816 10 30 ADEEMO C=CCCCC[N@H+](CC)C1CN(C)C1 1209207051 762289707 /nfs/dbraw/zinc/28/97/07/762289707.db2.gz JJJZSCRHTOOGLK-UHFFFAOYSA-N 1 1 196.338 1.979 10 30 ADEEMO C=CCCCC[N@H+]1CCO[C@@H]2C[C@@H]21 1209207349 762290430 /nfs/dbraw/zinc/29/04/30/762290430.db2.gz USRRSUWYNFTUEU-WDEREUQCSA-N 1 1 181.279 1.816 10 30 ADEEMO C=CCCCC[N@H+]1CC(=O)NC[C@H]1C 1209207320 762290942 /nfs/dbraw/zinc/29/09/42/762290942.db2.gz SPSDHFUIZNNWKV-SNVBAGLBSA-N 1 1 196.294 1.163 10 30 ADEEMO C=CCCCC[N@@H+]1CC(=O)NC[C@H]1C 1209207320 762290957 /nfs/dbraw/zinc/29/09/57/762290957.db2.gz SPSDHFUIZNNWKV-SNVBAGLBSA-N 1 1 196.294 1.163 10 30 ADEEMO C=CCCCC[N@H+]1CCO[C@H]2C[C@H]21 1209207347 762292184 /nfs/dbraw/zinc/29/21/84/762292184.db2.gz USRRSUWYNFTUEU-MNOVXSKESA-N 1 1 181.279 1.816 10 30 ADEEMO C#CCCC[N@H+]1CC[C@@H]2CCO[C@H]2C1 1209262681 762300013 /nfs/dbraw/zinc/30/00/13/762300013.db2.gz ZFCVZTVMIWZLLB-NEPJUHHUSA-N 1 1 193.290 1.511 10 30 ADEEMO C#CCCC[N@H+](C)CCC1OCCO1 1209266260 762300310 /nfs/dbraw/zinc/30/03/10/762300310.db2.gz IDCHSIWAPWDOKV-UHFFFAOYSA-N 1 1 197.278 1.095 10 30 ADEEMO C#CCCC[N@H+](C)C1(C)COC1 1209266135 762300379 /nfs/dbraw/zinc/30/03/79/762300379.db2.gz HDRBDKHKBCNZMX-UHFFFAOYSA-N 1 1 167.252 1.121 10 30 ADEEMO C#CC[N@H+](C)Cc1ccccc1NC 1232673287 764545612 /nfs/dbraw/zinc/54/56/12/764545612.db2.gz XTVRTEZXMWPUEU-UHFFFAOYSA-N 1 1 188.274 1.793 10 30 ADEEMO CCC[N@@H+](C)Cc1cc(C#N)ccn1 1232474708 764550195 /nfs/dbraw/zinc/55/01/95/764550195.db2.gz IINFDPAFENRMJO-UHFFFAOYSA-N 1 1 189.262 1.795 10 30 ADEEMO C=CC[N@@H+](C)Cc1cc(C#N)ccn1 1232479787 764552052 /nfs/dbraw/zinc/55/20/52/764552052.db2.gz YDZYUSOPPRWOKX-UHFFFAOYSA-N 1 1 187.246 1.571 10 30 ADEEMO C=CC[N@H+](C)Cc1cc(C#N)ccn1 1232479787 764552057 /nfs/dbraw/zinc/55/20/57/764552057.db2.gz YDZYUSOPPRWOKX-UHFFFAOYSA-N 1 1 187.246 1.571 10 30 ADEEMO C[C@@H]1CC[N@@H+]1Cc1cccc(C#N)n1 1232921725 764553948 /nfs/dbraw/zinc/55/39/48/764553948.db2.gz FYAXEMJYEWYVHC-SECBINFHSA-N 1 1 187.246 1.547 10 30 ADEEMO C[C@@H]1CC[N@H+]1Cc1cccc(C#N)n1 1232921725 764553959 /nfs/dbraw/zinc/55/39/59/764553959.db2.gz FYAXEMJYEWYVHC-SECBINFHSA-N 1 1 187.246 1.547 10 30 ADEEMO C[C@H]1CC[N@@H+]1Cc1cccc(C#N)n1 1232921726 764555370 /nfs/dbraw/zinc/55/53/70/764555370.db2.gz FYAXEMJYEWYVHC-VIFPVBQESA-N 1 1 187.246 1.547 10 30 ADEEMO C[C@H]1CC[N@H+]1Cc1cccc(C#N)n1 1232921726 764555376 /nfs/dbraw/zinc/55/53/76/764555376.db2.gz FYAXEMJYEWYVHC-VIFPVBQESA-N 1 1 187.246 1.547 10 30 ADEEMO C#CC[N@@H+](C)Cc1cccc(C#N)n1 1232924660 764555687 /nfs/dbraw/zinc/55/56/87/764555687.db2.gz RMMHRSWICQVTSH-UHFFFAOYSA-N 1 1 185.230 1.018 10 30 ADEEMO C#CC[N@H+](C)Cc1cccc(C#N)n1 1232924660 764555696 /nfs/dbraw/zinc/55/56/96/764555696.db2.gz RMMHRSWICQVTSH-UHFFFAOYSA-N 1 1 185.230 1.018 10 30 ADEEMO C#CC[N@@H+](C)Cc1ccc(C#N)s1 1232844906 764555876 /nfs/dbraw/zinc/55/58/76/764555876.db2.gz BPEXLVHFXFTXIP-UHFFFAOYSA-N 1 1 190.271 1.685 10 30 ADEEMO C#CC[N@H+](C)Cc1ccc(C#N)s1 1232844906 764555883 /nfs/dbraw/zinc/55/58/83/764555883.db2.gz BPEXLVHFXFTXIP-UHFFFAOYSA-N 1 1 190.271 1.685 10 30 ADEEMO N#Cc1cccc(C[NH+]2CC=CC2)n1 1232921980 764557517 /nfs/dbraw/zinc/55/75/17/764557517.db2.gz KXSKACRWPSCHBW-UHFFFAOYSA-N 1 1 185.230 1.325 10 30 ADEEMO C=CC[N@@H+](C)Cc1[nH]c(C)nc1C 1234636198 764580366 /nfs/dbraw/zinc/58/03/66/764580366.db2.gz UOURNMXGRHLPHN-UHFFFAOYSA-N 1 1 179.267 1.644 10 30 ADEEMO C=CC[N@H+](C)Cc1[nH]c(C)nc1C 1234636198 764580376 /nfs/dbraw/zinc/58/03/76/764580376.db2.gz UOURNMXGRHLPHN-UHFFFAOYSA-N 1 1 179.267 1.644 10 30 ADEEMO C#CCN(C)Cc1[nH]c(C)[nH+]c1C 1234635173 764581199 /nfs/dbraw/zinc/58/11/99/764581199.db2.gz MAURGNIYSAQMER-UHFFFAOYSA-N 1 1 177.251 1.092 10 30 ADEEMO C=CC[N@@H+](C)Cc1c(C)ncn1C 1235551756 764602092 /nfs/dbraw/zinc/60/20/92/764602092.db2.gz FCHVQNZDPGWMMF-UHFFFAOYSA-N 1 1 179.267 1.346 10 30 ADEEMO C=CC[N@H+](C)Cc1c(C)ncn1C 1235551756 764602095 /nfs/dbraw/zinc/60/20/95/764602095.db2.gz FCHVQNZDPGWMMF-UHFFFAOYSA-N 1 1 179.267 1.346 10 30 ADEEMO C#CC[N@@H+](C)Cc1ccc(F)nc1C 1235815243 764606589 /nfs/dbraw/zinc/60/65/89/764606589.db2.gz RXZXXDIIOSGUSZ-UHFFFAOYSA-N 1 1 192.237 1.594 10 30 ADEEMO C#CC[N@H+](C)Cc1ccc(F)nc1C 1235815243 764606594 /nfs/dbraw/zinc/60/65/94/764606594.db2.gz RXZXXDIIOSGUSZ-UHFFFAOYSA-N 1 1 192.237 1.594 10 30 ADEEMO C=CCCCC[N@H+]1C[C@@H]2CC[C@@]2(N)C1 1235978908 764616035 /nfs/dbraw/zinc/61/60/35/764616035.db2.gz LXUVDTYZMRVAHF-NWDGAFQWSA-N 1 1 194.322 1.766 10 30 ADEEMO C=CCCCC[N@@H+]1C[C@@H]2CC[C@@]2(N)C1 1235978908 764616039 /nfs/dbraw/zinc/61/60/39/764616039.db2.gz LXUVDTYZMRVAHF-NWDGAFQWSA-N 1 1 194.322 1.766 10 30 ADEEMO C=CCCCCN1C[C@@H]2CC[C@@]2([NH3+])C1 1235978908 764616043 /nfs/dbraw/zinc/61/60/43/764616043.db2.gz LXUVDTYZMRVAHF-NWDGAFQWSA-N 1 1 194.322 1.766 10 30 ADEEMO C=CCCCC[N@H+]1C[C@H]2CC[C@]2(N)C1 1235978907 764617842 /nfs/dbraw/zinc/61/78/42/764617842.db2.gz LXUVDTYZMRVAHF-NEPJUHHUSA-N 1 1 194.322 1.766 10 30 ADEEMO C=CCCCC[N@@H+]1C[C@H]2CC[C@]2(N)C1 1235978907 764617852 /nfs/dbraw/zinc/61/78/52/764617852.db2.gz LXUVDTYZMRVAHF-NEPJUHHUSA-N 1 1 194.322 1.766 10 30 ADEEMO C=CCCCCN1C[C@H]2CC[C@]2([NH3+])C1 1235978907 764617862 /nfs/dbraw/zinc/61/78/62/764617862.db2.gz LXUVDTYZMRVAHF-NEPJUHHUSA-N 1 1 194.322 1.766 10 30 ADEEMO C=CCCCC[N@H+]1C[C@H]2CC[C@@]2(N)C1 1235978910 764620279 /nfs/dbraw/zinc/62/02/79/764620279.db2.gz LXUVDTYZMRVAHF-VXGBXAGGSA-N 1 1 194.322 1.766 10 30 ADEEMO C=CCCCC[N@@H+]1C[C@H]2CC[C@@]2(N)C1 1235978910 764620286 /nfs/dbraw/zinc/62/02/86/764620286.db2.gz LXUVDTYZMRVAHF-VXGBXAGGSA-N 1 1 194.322 1.766 10 30 ADEEMO C=CCCCCN1C[C@H]2CC[C@@]2([NH3+])C1 1235978910 764620290 /nfs/dbraw/zinc/62/02/90/764620290.db2.gz LXUVDTYZMRVAHF-VXGBXAGGSA-N 1 1 194.322 1.766 10 30 ADEEMO C=CCCCC[N@H+]1C[C@@H]2CC[C@]2(N)C1 1235978909 764620531 /nfs/dbraw/zinc/62/05/31/764620531.db2.gz LXUVDTYZMRVAHF-RYUDHWBXSA-N 1 1 194.322 1.766 10 30 ADEEMO C=CCCCC[N@@H+]1C[C@@H]2CC[C@]2(N)C1 1235978909 764620535 /nfs/dbraw/zinc/62/05/35/764620535.db2.gz LXUVDTYZMRVAHF-RYUDHWBXSA-N 1 1 194.322 1.766 10 30 ADEEMO C=CCCCCN1C[C@@H]2CC[C@]2([NH3+])C1 1235978909 764620538 /nfs/dbraw/zinc/62/05/38/764620538.db2.gz LXUVDTYZMRVAHF-RYUDHWBXSA-N 1 1 194.322 1.766 10 30 ADEEMO C=CCCCC[N@H+]1C[C@H]2C[C@@]2(N)C1 1236013466 764624058 /nfs/dbraw/zinc/62/40/58/764624058.db2.gz BHGLLGCMMFIKLC-GHMZBOCLSA-N 1 1 180.295 1.376 10 30 ADEEMO C=CCCCC[N@@H+]1C[C@H]2C[C@@]2(N)C1 1236013466 764624061 /nfs/dbraw/zinc/62/40/61/764624061.db2.gz BHGLLGCMMFIKLC-GHMZBOCLSA-N 1 1 180.295 1.376 10 30 ADEEMO C=CCCCC[N@H+]1C[C@@H]2C[C@]2(N)C1 1236013468 764624386 /nfs/dbraw/zinc/62/43/86/764624386.db2.gz BHGLLGCMMFIKLC-QWRGUYRKSA-N 1 1 180.295 1.376 10 30 ADEEMO C=CCCCC[N@@H+]1C[C@@H]2C[C@]2(N)C1 1236013468 764624394 /nfs/dbraw/zinc/62/43/94/764624394.db2.gz BHGLLGCMMFIKLC-QWRGUYRKSA-N 1 1 180.295 1.376 10 30 ADEEMO C=CC[N@@H+](CCN)C1CCCCC1 1236432642 764658190 /nfs/dbraw/zinc/65/81/90/764658190.db2.gz CDMGHYPOPAMFHG-UHFFFAOYSA-N 1 1 182.311 1.766 10 30 ADEEMO C=CC[N@H+](CCN)C1CCCCC1 1236432642 764658195 /nfs/dbraw/zinc/65/81/95/764658195.db2.gz CDMGHYPOPAMFHG-UHFFFAOYSA-N 1 1 182.311 1.766 10 30 ADEEMO C=CC[N@@H+](C)Cc1cncnc1C 1238167367 764721952 /nfs/dbraw/zinc/72/19/52/764721952.db2.gz JMCTUUMXDRMJMO-UHFFFAOYSA-N 1 1 177.251 1.403 10 30 ADEEMO C=CC[N@H+](C)Cc1cncnc1C 1238167367 764721964 /nfs/dbraw/zinc/72/19/64/764721964.db2.gz JMCTUUMXDRMJMO-UHFFFAOYSA-N 1 1 177.251 1.403 10 30 ADEEMO C=CCN(C)[C@@H]1CC[NH2+][C@@H](C)C1 1246840256 765322482 /nfs/dbraw/zinc/32/24/82/765322482.db2.gz VHXDIVGEBDCMTA-VHSXEESVSA-N 1 1 168.284 1.245 10 30 ADEEMO C=CCN(C)[C@H]1CC[NH2+][C@@H](C)C1 1246840255 765323854 /nfs/dbraw/zinc/32/38/54/765323854.db2.gz VHXDIVGEBDCMTA-UWVGGRQHSA-N 1 1 168.284 1.245 10 30 ADEEMO C=CCN(C)[C@H]1CC[NH2+][C@H](C)C1 1246840257 765326289 /nfs/dbraw/zinc/32/62/89/765326289.db2.gz VHXDIVGEBDCMTA-ZJUUUORDSA-N 1 1 168.284 1.245 10 30 ADEEMO C=CCN(C)[C@@H]1CC[NH2+][C@H](C)C1 1246840254 765327798 /nfs/dbraw/zinc/32/77/98/765327798.db2.gz VHXDIVGEBDCMTA-NXEZZACHSA-N 1 1 168.284 1.245 10 30 ADEEMO C=C[C@H](O)C[N@H+](CC)CCCC 1253567880 767225398 /nfs/dbraw/zinc/22/53/98/767225398.db2.gz VXHSPGXUOGIQIB-JTQLQIEISA-N 1 1 171.284 1.655 10 30 ADEEMO C=C[C@@H](O)C[N@H+](C)CC(C)C 1253566502 767221676 /nfs/dbraw/zinc/22/16/76/767221676.db2.gz BQCWUWGUMWLSOM-SECBINFHSA-N 1 1 157.257 1.121 10 30 ADEEMO C=C[C@@H](O)C[N@H+](CC)CCC 1253566476 767221816 /nfs/dbraw/zinc/22/18/16/767221816.db2.gz AVDNJOIWNIOWFM-SECBINFHSA-N 1 1 157.257 1.265 10 30 ADEEMO C=C[C@@H](O)C[N@H+](CC)C1CC1 1253566444 767221957 /nfs/dbraw/zinc/22/19/57/767221957.db2.gz AIDQALRIENUETK-SECBINFHSA-N 1 1 155.241 1.018 10 30 ADEEMO C=C[C@H](O)C[N@H+](C)CC(C)C 1253566503 767222609 /nfs/dbraw/zinc/22/26/09/767222609.db2.gz BQCWUWGUMWLSOM-VIFPVBQESA-N 1 1 157.257 1.121 10 30 ADEEMO C=C[C@H](O)C[N@H+](CC)CCC 1253566477 767224187 /nfs/dbraw/zinc/22/41/87/767224187.db2.gz AVDNJOIWNIOWFM-VIFPVBQESA-N 1 1 157.257 1.265 10 30 ADEEMO C=C[C@H](O)C[N@H+](CC)C1CC1 1253566445 767224424 /nfs/dbraw/zinc/22/44/24/767224424.db2.gz AIDQALRIENUETK-VIFPVBQESA-N 1 1 155.241 1.018 10 30 ADEEMO C=C[C@@H](O)C[N@H+](CCC)CC1CC1 1253567335 767225131 /nfs/dbraw/zinc/22/51/31/767225131.db2.gz MXNDIMHXXZPLHJ-LLVKDONJSA-N 1 1 183.295 1.655 10 30 ADEEMO C=C[C@@H](O)C[N@H+](C)Cc1ccccc1 1253567796 767225185 /nfs/dbraw/zinc/22/51/85/767225185.db2.gz TXMWJZRTFXTBKA-GFCCVEGCSA-N 1 1 191.274 1.665 10 30 ADEEMO C=C[C@H](O)C[N@H+](C)C1CCCCC1 1253566581 767225319 /nfs/dbraw/zinc/22/53/19/767225319.db2.gz DNVROUVYEVNFOD-NSHDSACASA-N 1 1 183.295 1.798 10 30 ADEEMO C=C[C@@H](O)C[N@H+](C)CCCC 1253566518 767225341 /nfs/dbraw/zinc/22/53/41/767225341.db2.gz CAOCQZGREDKRTL-SECBINFHSA-N 1 1 157.257 1.265 10 30 ADEEMO C=C[C@H](O)C[N@H+](CC)C(C)C 1253567486 767225423 /nfs/dbraw/zinc/22/54/23/767225423.db2.gz OJYFGOLMOSZNDB-VIFPVBQESA-N 1 1 157.257 1.264 10 30 ADEEMO C=C[C@H](O)C[N@@H+]1CCC[C@@H]1C 1253567616 767225782 /nfs/dbraw/zinc/22/57/82/767225782.db2.gz PVMDIPSNPWHEIF-IUCAKERBSA-N 1 1 155.241 1.018 10 30 ADEEMO C=C[C@@H](O)C[N@H+](C)CCCCC 1253567179 767225943 /nfs/dbraw/zinc/22/59/43/767225943.db2.gz KXRYPDXSQJJOSX-SNVBAGLBSA-N 1 1 171.284 1.655 10 30 ADEEMO C=C[C@H](O)C[N@H+](CCC)CC1CC1 1253567336 767226277 /nfs/dbraw/zinc/22/62/77/767226277.db2.gz MXNDIMHXXZPLHJ-NSHDSACASA-N 1 1 183.295 1.655 10 30 ADEEMO C=C[C@@H](O)C[N@@H+]1CCC[C@H](C)C1 1253567547 767226362 /nfs/dbraw/zinc/22/63/62/767226362.db2.gz OVRUAINGCKWQRE-VHSXEESVSA-N 1 1 169.268 1.265 10 30 ADEEMO C=C[C@@H](O)C[N@H+](CC)C(C)C 1253567485 767226384 /nfs/dbraw/zinc/22/63/84/767226384.db2.gz OJYFGOLMOSZNDB-SECBINFHSA-N 1 1 157.257 1.264 10 30 ADEEMO C=C[C@@H](O)C[N@@H+]1CCC[C@@H]1C 1253567615 767226759 /nfs/dbraw/zinc/22/67/59/767226759.db2.gz PVMDIPSNPWHEIF-DTWKUNHWSA-N 1 1 155.241 1.018 10 30 ADEEMO C=C[C@H](O)C[N@@H+]1CCCC1(C)C 1253566757 767227081 /nfs/dbraw/zinc/22/70/81/767227081.db2.gz GDJMFYOUSDQGOT-VIFPVBQESA-N 1 1 169.268 1.408 10 30 ADEEMO C=C[C@H](O)C[N@@H+]1CCC[C@@H](C)C1 1253567548 767227201 /nfs/dbraw/zinc/22/72/01/767227201.db2.gz OVRUAINGCKWQRE-ZJUUUORDSA-N 1 1 169.268 1.265 10 30 ADEEMO C=C[C@H](O)C[N@H+](C)CCCCC 1253567178 767227242 /nfs/dbraw/zinc/22/72/42/767227242.db2.gz KXRYPDXSQJJOSX-JTQLQIEISA-N 1 1 171.284 1.655 10 30 ADEEMO C=C[C@@H](O)C[N@H+]1[C@@H](C)CCC[C@H]1C 1253568072 767232923 /nfs/dbraw/zinc/23/29/23/767232923.db2.gz XMHWVDYOWBBYIT-OUAUKWLOSA-N 1 1 183.295 1.796 10 30 ADEEMO C=C[C@@H](O)C[N@@H+]1CCC[C@H]1C 1253567617 767227537 /nfs/dbraw/zinc/22/75/37/767227537.db2.gz PVMDIPSNPWHEIF-RKDXNWHRSA-N 1 1 155.241 1.018 10 30 ADEEMO C=C[C@H](O)C[N@@H+]1C[C@H]2CCC[C@H]2C1 1253567844 767227556 /nfs/dbraw/zinc/22/75/56/767227556.db2.gz UZYFGXZBBZQUHD-AXFHLTTASA-N 1 1 181.279 1.265 10 30 ADEEMO C=C[C@H](O)C[N@H+](C)Cc1ccccc1 1253567797 767228216 /nfs/dbraw/zinc/22/82/16/767228216.db2.gz TXMWJZRTFXTBKA-LBPRGKRZSA-N 1 1 191.274 1.665 10 30 ADEEMO C=C[C@@H](O)C[N@H+](C)C1CCCCC1 1253566580 767228664 /nfs/dbraw/zinc/22/86/64/767228664.db2.gz DNVROUVYEVNFOD-LLVKDONJSA-N 1 1 183.295 1.798 10 30 ADEEMO C=C[C@H](O)C[N@H+](C)CCCC 1253566519 767228697 /nfs/dbraw/zinc/22/86/97/767228697.db2.gz CAOCQZGREDKRTL-VIFPVBQESA-N 1 1 157.257 1.265 10 30 ADEEMO C=C[C@@H](O)C[N@H+](CC)CCCC 1253567881 767228780 /nfs/dbraw/zinc/22/87/80/767228780.db2.gz VXHSPGXUOGIQIB-SNVBAGLBSA-N 1 1 171.284 1.655 10 30 ADEEMO C=C[C@@H](O)C[N@@H+]1CCC[C@@H](C)C1 1253567545 767228861 /nfs/dbraw/zinc/22/88/61/767228861.db2.gz OVRUAINGCKWQRE-NXEZZACHSA-N 1 1 169.268 1.265 10 30 ADEEMO C=C[C@@H](O)C[N@@H+]1CCCC1(C)C 1253566756 767229175 /nfs/dbraw/zinc/22/91/75/767229175.db2.gz GDJMFYOUSDQGOT-SECBINFHSA-N 1 1 169.268 1.408 10 30 ADEEMO C=C[C@H](O)C[N@@H+]1CCC[C@H]1C 1253567614 767229370 /nfs/dbraw/zinc/22/93/70/767229370.db2.gz PVMDIPSNPWHEIF-BDAKNGLRSA-N 1 1 155.241 1.018 10 30 ADEEMO C=C[C@@H](O)C[N@@H+]1C[C@H]2CCC[C@H]2C1 1253567847 767229483 /nfs/dbraw/zinc/22/94/83/767229483.db2.gz UZYFGXZBBZQUHD-OUAUKWLOSA-N 1 1 181.279 1.265 10 30 ADEEMO C=C[C@H](O)C[N@@H+]1CCC[C@H](C)C1 1253567546 767229796 /nfs/dbraw/zinc/22/97/96/767229796.db2.gz OVRUAINGCKWQRE-UWVGGRQHSA-N 1 1 169.268 1.265 10 30 ADEEMO C=C[C@H](O)C[N@@H+]1CCCC[C@H]1C 1253568319 767230160 /nfs/dbraw/zinc/23/01/60/767230160.db2.gz ZYDIJPZWPOAEMF-ZJUUUORDSA-N 1 1 169.268 1.408 10 30 ADEEMO C=C[C@@H](O)C[N@@H+]1CCCC[C@H]1C 1253568313 767230186 /nfs/dbraw/zinc/23/01/86/767230186.db2.gz ZYDIJPZWPOAEMF-NXEZZACHSA-N 1 1 169.268 1.408 10 30 ADEEMO C=C[C@H](O)C[N@H+]1[C@@H](C)CCC[C@H]1C 1253568067 767230240 /nfs/dbraw/zinc/23/02/40/767230240.db2.gz XMHWVDYOWBBYIT-AXFHLTTASA-N 1 1 183.295 1.796 10 30 ADEEMO C=C[C@H](O)C[N@H+](C)C1CC(F)(F)C1 1253568207 767230424 /nfs/dbraw/zinc/23/04/24/767230424.db2.gz YMJLMAYONYYXJD-QMMMGPOBSA-N 1 1 191.221 1.263 10 30 ADEEMO C=C[C@H](O)C[N@@H+]1CCCC[C@@H]1C 1253568314 767230772 /nfs/dbraw/zinc/23/07/72/767230772.db2.gz ZYDIJPZWPOAEMF-UWVGGRQHSA-N 1 1 169.268 1.408 10 30 ADEEMO C=C[C@H](O)C[N@@H+]1CC[C@@H](C)[C@H](F)C1 1253570694 767231080 /nfs/dbraw/zinc/23/10/80/767231080.db2.gz ALVJVTPGJIDOAR-KXUCPTDWSA-N 1 1 187.258 1.213 10 30 ADEEMO C=C[C@H](O)C[N@H+]1CCCC12CC2 1253568203 767231840 /nfs/dbraw/zinc/23/18/40/767231840.db2.gz YCCSJMMHJYKQEY-VIFPVBQESA-N 1 1 167.252 1.162 10 30 ADEEMO C=C[C@H](O)C[N@@H+]1CCC[C@H](C)CC1 1253572787 767236217 /nfs/dbraw/zinc/23/62/17/767236217.db2.gz PXXIRPBYGYLRGY-QWRGUYRKSA-N 1 1 183.295 1.655 10 30 ADEEMO C=C[C@@H](O)C[N@H+](C)C1CC(F)(F)C1 1253568206 767233211 /nfs/dbraw/zinc/23/32/11/767233211.db2.gz YMJLMAYONYYXJD-MRVPVSSYSA-N 1 1 191.221 1.263 10 30 ADEEMO C=C[C@@H](O)C[N@@H+]1CCCC[C@@H]1C 1253568318 767233448 /nfs/dbraw/zinc/23/34/48/767233448.db2.gz ZYDIJPZWPOAEMF-VHSXEESVSA-N 1 1 169.268 1.408 10 30 ADEEMO C=C[C@@H](O)C[N@H+]1CCCC12CC2 1253568202 767233772 /nfs/dbraw/zinc/23/37/72/767233772.db2.gz YCCSJMMHJYKQEY-SECBINFHSA-N 1 1 167.252 1.162 10 30 ADEEMO C=C[C@H](O)C[N@@H+]1CCC[C@](C)(F)C1 1253572975 767235297 /nfs/dbraw/zinc/23/52/97/767235297.db2.gz RBOFOSJTPICHEH-UWVGGRQHSA-N 1 1 187.258 1.357 10 30 ADEEMO C=C[C@H](O)C[N@@H+]1CCCC[C@@H](C)C1 1253572216 767235562 /nfs/dbraw/zinc/23/55/62/767235562.db2.gz NCHWEWHEMXWTAM-MNOVXSKESA-N 1 1 183.295 1.655 10 30 ADEEMO C=C[C@@H](O)C[N@H+]1CCCC[C@@H](F)C1 1253573127 767235934 /nfs/dbraw/zinc/23/59/34/767235934.db2.gz RMSXRKSTVCJODT-NXEZZACHSA-N 1 1 187.258 1.357 10 30 ADEEMO C=C[C@@H](O)C[N@@H+]1CCCC[C@@H](C)C1 1253572215 767236387 /nfs/dbraw/zinc/23/63/87/767236387.db2.gz NCHWEWHEMXWTAM-GHMZBOCLSA-N 1 1 183.295 1.655 10 30 ADEEMO C=C[C@H](O)C[N@@H+]1CCC[C@@](C)(F)C1 1253572976 767236450 /nfs/dbraw/zinc/23/64/50/767236450.db2.gz RBOFOSJTPICHEH-VHSXEESVSA-N 1 1 187.258 1.357 10 30 ADEEMO C=C[C@H](O)C[N@H+](C)C1CC(C)C1 1253572196 767236669 /nfs/dbraw/zinc/23/66/69/767236669.db2.gz MVPKAOFDCUBXHO-RTBKNWGFSA-N 1 1 169.268 1.264 10 30 ADEEMO C=C[C@@H](O)C[N@H+]1CCCC[C@H](F)C1 1253573129 767236994 /nfs/dbraw/zinc/23/69/94/767236994.db2.gz RMSXRKSTVCJODT-VHSXEESVSA-N 1 1 187.258 1.357 10 30 ADEEMO C=C[C@H](O)C[N@H+]1CCCC[C@@H](F)C1 1253573130 767237180 /nfs/dbraw/zinc/23/71/80/767237180.db2.gz RMSXRKSTVCJODT-ZJUUUORDSA-N 1 1 187.258 1.357 10 30 ADEEMO C=C[C@@H](O)C[N@@H+]1CCCC[C@H](C)C1 1253572218 767237268 /nfs/dbraw/zinc/23/72/68/767237268.db2.gz NCHWEWHEMXWTAM-WDEREUQCSA-N 1 1 183.295 1.655 10 30 ADEEMO C=C[C@H](O)C[N@@H+]1CCC[C@@H](C)CC1 1253572786 767237321 /nfs/dbraw/zinc/23/73/21/767237321.db2.gz PXXIRPBYGYLRGY-MNOVXSKESA-N 1 1 183.295 1.655 10 30 ADEEMO C=C[C@@H](O)C[N@@H+]1CCC[C@@](C)(F)C1 1253572974 767238925 /nfs/dbraw/zinc/23/89/25/767238925.db2.gz RBOFOSJTPICHEH-NXEZZACHSA-N 1 1 187.258 1.357 10 30 ADEEMO C=C[C@H](O)C[N@@H+]1CCCC[C@H](C)C1 1253572217 767239006 /nfs/dbraw/zinc/23/90/06/767239006.db2.gz NCHWEWHEMXWTAM-QWRGUYRKSA-N 1 1 183.295 1.655 10 30 ADEEMO C=C[C@H](O)C[N@H+](C)Cc1cccs1 1253579306 767242441 /nfs/dbraw/zinc/24/24/41/767242441.db2.gz PFKNCKPYGXLIFO-VIFPVBQESA-N 1 1 197.303 1.727 10 30 ADEEMO C=C[C@@H](O)C[N@@H+]1CCC[C@@H](C)CC1 1253572785 767239224 /nfs/dbraw/zinc/23/92/24/767239224.db2.gz PXXIRPBYGYLRGY-GHMZBOCLSA-N 1 1 183.295 1.655 10 30 ADEEMO C=C[C@H](O)C[N@H+]1CCCC[C@H](F)C1 1253573128 767239513 /nfs/dbraw/zinc/23/95/13/767239513.db2.gz RMSXRKSTVCJODT-UWVGGRQHSA-N 1 1 187.258 1.357 10 30 ADEEMO C=C[C@@H](O)C[N@H+](C)C1CC(C)C1 1253572197 767239582 /nfs/dbraw/zinc/23/95/82/767239582.db2.gz MVPKAOFDCUBXHO-UDNWOFFPSA-N 1 1 169.268 1.264 10 30 ADEEMO C=C[C@@H](O)C[N@@H+]1CCC[C@](C)(F)C1 1253572977 767239786 /nfs/dbraw/zinc/23/97/86/767239786.db2.gz RBOFOSJTPICHEH-ZJUUUORDSA-N 1 1 187.258 1.357 10 30 ADEEMO C=C[C@@H](O)C[N@@H+]1CCC[C@H](C)CC1 1253572788 767239817 /nfs/dbraw/zinc/23/98/17/767239817.db2.gz PXXIRPBYGYLRGY-WDEREUQCSA-N 1 1 183.295 1.655 10 30 ADEEMO C=C[C@@H](O)C[N@H+](C)Cc1ccsc1 1253578840 767240031 /nfs/dbraw/zinc/24/00/31/767240031.db2.gz IMCGFNCHRQADQO-SNVBAGLBSA-N 1 1 197.303 1.727 10 30 ADEEMO C=C[C@@H](O)C[N@H+](C)[C@@H](C)CC 1253577466 767240109 /nfs/dbraw/zinc/24/01/09/767240109.db2.gz UYKSTTQLWNTZRQ-DTWKUNHWSA-N 1 1 157.257 1.264 10 30 ADEEMO C=C[C@H](O)C[N@H+]1CCC12CCCC2 1253575633 767240198 /nfs/dbraw/zinc/24/01/98/767240198.db2.gz BBNXCYGXOQWTAG-JTQLQIEISA-N 1 1 181.279 1.552 10 30 ADEEMO C=C[C@@H](O)C[N@@H+]1CCC[C@H]1CC 1253578541 767240267 /nfs/dbraw/zinc/24/02/67/767240267.db2.gz DBFPIHCDWFPEPL-NXEZZACHSA-N 1 1 169.268 1.408 10 30 ADEEMO C=C[C@@H](O)C[N@@H+]1CCC(C)(C)C1 1253578635 767240353 /nfs/dbraw/zinc/24/03/53/767240353.db2.gz FXADTRKDJBYXBV-SECBINFHSA-N 1 1 169.268 1.265 10 30 ADEEMO C=C[C@H](O)C[N@@H+]1CCC[C@H](C)[C@H]1C 1253580846 767240595 /nfs/dbraw/zinc/24/05/95/767240595.db2.gz ZPYBXDKZPVSBPV-AXFHLTTASA-N 1 1 183.295 1.654 10 30 ADEEMO C=C[C@H](O)C[N@H+](C)CC1CCC1 1253579590 767240608 /nfs/dbraw/zinc/24/06/08/767240608.db2.gz RIBHSRXAMIMUTC-JTQLQIEISA-N 1 1 169.268 1.265 10 30 ADEEMO C=C[C@H](O)C[N@@H+]1CC[C@H](C)C[C@@H]1C 1253578458 767240683 /nfs/dbraw/zinc/24/06/83/767240683.db2.gz BMDPJFGJRXUUGC-DCAQKATOSA-N 1 1 183.295 1.654 10 30 ADEEMO C=C[C@@H](O)C[N@H+](C)Cc1cccs1 1253579305 767240789 /nfs/dbraw/zinc/24/07/89/767240789.db2.gz PFKNCKPYGXLIFO-SECBINFHSA-N 1 1 197.303 1.727 10 30 ADEEMO C=C[C@H](O)C[N@@H+]1CC[C@@H](C)C[C@@H]1C 1253578460 767240841 /nfs/dbraw/zinc/24/08/41/767240841.db2.gz BMDPJFGJRXUUGC-VWYCJHECSA-N 1 1 183.295 1.654 10 30 ADEEMO C=C[C@H](O)C[N@H+]1CCC[C@@H](CF)C1 1253578937 767240883 /nfs/dbraw/zinc/24/08/83/767240883.db2.gz KEVGCYBOCYFHBZ-UWVGGRQHSA-N 1 1 187.258 1.215 10 30 ADEEMO C=C[C@H](O)C[N@H+]1CCC[C@H](CF)C1 1253578939 767241383 /nfs/dbraw/zinc/24/13/83/767241383.db2.gz KEVGCYBOCYFHBZ-ZJUUUORDSA-N 1 1 187.258 1.215 10 30 ADEEMO C=C[C@H](O)C[N@H+](C)[C@H](C)CC 1253577465 767241606 /nfs/dbraw/zinc/24/16/06/767241606.db2.gz UYKSTTQLWNTZRQ-BDAKNGLRSA-N 1 1 157.257 1.264 10 30 ADEEMO C=C[C@@H](O)C[N@@H+](CC1CC1)C(C)C 1253579333 767241784 /nfs/dbraw/zinc/24/17/84/767241784.db2.gz PKNCXQIPDFKKJW-LLVKDONJSA-N 1 1 183.295 1.654 10 30 ADEEMO C=C[C@H](O)C[N@@H+]1CCC(C)(C)C1 1253578636 767242028 /nfs/dbraw/zinc/24/20/28/767242028.db2.gz FXADTRKDJBYXBV-VIFPVBQESA-N 1 1 169.268 1.265 10 30 ADEEMO C=C[C@H](O)C[N@@H+]1CCC[C@@H]1CC 1253578542 767242057 /nfs/dbraw/zinc/24/20/57/767242057.db2.gz DBFPIHCDWFPEPL-UWVGGRQHSA-N 1 1 169.268 1.408 10 30 ADEEMO C=C[C@H](O)C[N@@H+](CC1CC1)C(C)C 1253579334 767242341 /nfs/dbraw/zinc/24/23/41/767242341.db2.gz PKNCXQIPDFKKJW-NSHDSACASA-N 1 1 183.295 1.654 10 30 ADEEMO C=C[C@@H](O)C[N@@H+](CCC)CCC#N 1253578368 767242408 /nfs/dbraw/zinc/24/24/08/767242408.db2.gz AAVMGCQXHZUJBI-SNVBAGLBSA-N 1 1 182.267 1.159 10 30 ADEEMO C=C[C@H](O)C[N@H+](C)CC(C)(C)C 1253579201 767242429 /nfs/dbraw/zinc/24/24/29/767242429.db2.gz NSTMVGZYNQSLLP-VIFPVBQESA-N 1 1 171.284 1.511 10 30 ADEEMO C=C[C@H](O)C[N@H+](C)Cc1ccsc1 1253578839 767242431 /nfs/dbraw/zinc/24/24/31/767242431.db2.gz IMCGFNCHRQADQO-JTQLQIEISA-N 1 1 197.303 1.727 10 30 ADEEMO C=C[C@@H](O)C[N@H+](C)[C@H](C)CC 1253577468 767242387 /nfs/dbraw/zinc/24/23/87/767242387.db2.gz UYKSTTQLWNTZRQ-RKDXNWHRSA-N 1 1 157.257 1.264 10 30 ADEEMO C=C[C@H](O)C[N@H+]1CC[C@@H]2CCC[C@@H]2C1 1253575780 767242499 /nfs/dbraw/zinc/24/24/99/767242499.db2.gz DFCYJFHGHFLABJ-TUAOUCFPSA-N 1 1 195.306 1.655 10 30 ADEEMO C=C[C@H](O)C[N@@H+]1CCC[C@H](C)[C@@H]1C 1253580847 767242533 /nfs/dbraw/zinc/24/25/33/767242533.db2.gz ZPYBXDKZPVSBPV-DCAQKATOSA-N 1 1 183.295 1.654 10 30 ADEEMO C=C[C@@H](O)C[N@H+](C)C1CCCC1 1253579496 767242562 /nfs/dbraw/zinc/24/25/62/767242562.db2.gz QTPPAFNJOKWEOD-SNVBAGLBSA-N 1 1 169.268 1.408 10 30 ADEEMO C=C[C@H](O)C[N@@H+]1CC[C@@H](C)C[C@H]1C 1253578459 767242585 /nfs/dbraw/zinc/24/25/85/767242585.db2.gz BMDPJFGJRXUUGC-MXWKQRLJSA-N 1 1 183.295 1.654 10 30 ADEEMO C=C[C@@H](O)C[N@H+](C)CC(C)(C)C 1253579199 767242766 /nfs/dbraw/zinc/24/27/66/767242766.db2.gz NSTMVGZYNQSLLP-SECBINFHSA-N 1 1 171.284 1.511 10 30 ADEEMO C=C[C@@H](O)C[N@H+]1CCC[C@H](CF)C1 1253578936 767242771 /nfs/dbraw/zinc/24/27/71/767242771.db2.gz KEVGCYBOCYFHBZ-NXEZZACHSA-N 1 1 187.258 1.215 10 30 ADEEMO C=C[C@H](O)C[N@@H+]1CCC[C@@H](C)[C@@H]1C 1253580853 767243060 /nfs/dbraw/zinc/24/30/60/767243060.db2.gz ZPYBXDKZPVSBPV-VWYCJHECSA-N 1 1 183.295 1.654 10 30 ADEEMO C=C[C@H](O)C[N@@H+](CCC)CCC#N 1253578367 767243227 /nfs/dbraw/zinc/24/32/27/767243227.db2.gz AAVMGCQXHZUJBI-JTQLQIEISA-N 1 1 182.267 1.159 10 30 ADEEMO C=C[C@H](O)C[N@H+](C)[C@@H](C)CC 1253577467 767243254 /nfs/dbraw/zinc/24/32/54/767243254.db2.gz UYKSTTQLWNTZRQ-IUCAKERBSA-N 1 1 157.257 1.264 10 30 ADEEMO C=C[C@H](O)C[N@H+](C)C1CCCC1 1253579495 767243291 /nfs/dbraw/zinc/24/32/91/767243291.db2.gz QTPPAFNJOKWEOD-JTQLQIEISA-N 1 1 169.268 1.408 10 30 ADEEMO C=C[C@@H](O)C[N@H+]1CCC2(CC2)C1 1253575783 767243305 /nfs/dbraw/zinc/24/33/05/767243305.db2.gz DGOOVGSBNPPKRZ-SECBINFHSA-N 1 1 167.252 1.019 10 30 ADEEMO C=C[C@@H](O)C[N@H+](C)CC1CCC1 1253579592 767243334 /nfs/dbraw/zinc/24/33/34/767243334.db2.gz RIBHSRXAMIMUTC-SNVBAGLBSA-N 1 1 169.268 1.265 10 30 ADEEMO C=C[C@H](O)C[N@@H+]1CCC[C@H]1CC 1253578544 767243540 /nfs/dbraw/zinc/24/35/40/767243540.db2.gz DBFPIHCDWFPEPL-ZJUUUORDSA-N 1 1 169.268 1.408 10 30 ADEEMO C=C[C@@H](O)C[N@H+]1CCC12CCCC2 1253575636 767243659 /nfs/dbraw/zinc/24/36/59/767243659.db2.gz BBNXCYGXOQWTAG-SNVBAGLBSA-N 1 1 181.279 1.552 10 30 ADEEMO C=C[C@@H](O)C[N@@H+]1CCC[C@@H]1CC 1253578543 767243884 /nfs/dbraw/zinc/24/38/84/767243884.db2.gz DBFPIHCDWFPEPL-VHSXEESVSA-N 1 1 169.268 1.408 10 30 ADEEMO C=C[C@@H](O)C[N@H+]1CCC[C@@H](CF)C1 1253578938 767243984 /nfs/dbraw/zinc/24/39/84/767243984.db2.gz KEVGCYBOCYFHBZ-VHSXEESVSA-N 1 1 187.258 1.215 10 30 ADEEMO C=C[C@H](O)C[N@@H+]1CCC[C@@H](C)[C@H]1C 1253580849 767244078 /nfs/dbraw/zinc/24/40/78/767244078.db2.gz ZPYBXDKZPVSBPV-MXWKQRLJSA-N 1 1 183.295 1.654 10 30 ADEEMO C=C[C@H](O)C[N@H+]1CCC2(CC2)C1 1253575784 767244135 /nfs/dbraw/zinc/24/41/35/767244135.db2.gz DGOOVGSBNPPKRZ-VIFPVBQESA-N 1 1 167.252 1.019 10 30 ADEEMO C=C[C@H](O)C[N@@H+]1CC[C@H](C)C[C@H]1C 1253578457 767244159 /nfs/dbraw/zinc/24/41/59/767244159.db2.gz BMDPJFGJRXUUGC-AXFHLTTASA-N 1 1 183.295 1.654 10 30 ADEEMO C=C[C@H](O)C[N@@H+]1CCC[C@H](CC)C1 1253584541 767245294 /nfs/dbraw/zinc/24/52/94/767245294.db2.gz NXSSAJLTFRJSCA-QWRGUYRKSA-N 1 1 183.295 1.655 10 30 ADEEMO C=C[C@H](O)C[N@H+]1C[C@@H](C)C[C@@H](C)C1 1253583333 767245471 /nfs/dbraw/zinc/24/54/71/767245471.db2.gz FPUMTYPCLNLHMP-AXFHLTTASA-N 1 1 183.295 1.511 10 30 ADEEMO C=C[C@@H](O)C[N@@H+]1CCCC[C@H]1CC 1253581674 767245514 /nfs/dbraw/zinc/24/55/14/767245514.db2.gz DFZOWLHFNCBULP-GHMZBOCLSA-N 1 1 183.295 1.798 10 30 ADEEMO C=C[C@@H](O)C[N@H+](C)Cc1cncs1 1253583912 767245693 /nfs/dbraw/zinc/24/56/93/767245693.db2.gz BOENQPWHWZRCLR-MRVPVSSYSA-N 1 1 198.291 1.122 10 30 ADEEMO C=C[C@H](O)C[N@@H+]1CCCCC[C@@H]1C 1253582281 767245830 /nfs/dbraw/zinc/24/58/30/767245830.db2.gz MVUHQXZPSJRVOY-QWRGUYRKSA-N 1 1 183.295 1.798 10 30 ADEEMO C=C[C@@H](O)C[N@H+](C)C[C@H]1CC1(C)C 1253584531 767246084 /nfs/dbraw/zinc/24/60/84/767246084.db2.gz NTRBNRHCKHDLAT-NXEZZACHSA-N 1 1 183.295 1.511 10 30 ADEEMO C=C[C@@H](O)C[N@H+]1CCC2(CCC2)C1 1253584344 767246247 /nfs/dbraw/zinc/24/62/47/767246247.db2.gz MQMLUGVSHDATDF-SNVBAGLBSA-N 1 1 181.279 1.409 10 30 ADEEMO C=C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)C2(C)C 1253584673 767246318 /nfs/dbraw/zinc/24/63/18/767246318.db2.gz QARHZFOHZHATGU-BBBLOLIVSA-N 1 1 181.279 1.121 10 30 ADEEMO C=C[C@@H](O)C[N@H+](C)C(CC)CC 1253584243 767246373 /nfs/dbraw/zinc/24/63/73/767246373.db2.gz KVOPQNJVXYAUNM-SNVBAGLBSA-N 1 1 171.284 1.654 10 30 ADEEMO C=C[C@H](O)C[N@@H+]1CCCC[C@H]1CC 1253581680 767246400 /nfs/dbraw/zinc/24/64/00/767246400.db2.gz DFZOWLHFNCBULP-MNOVXSKESA-N 1 1 183.295 1.798 10 30 ADEEMO C=C[C@@H](O)C[N@H+](C)C(C)(C)C 1253582607 767246408 /nfs/dbraw/zinc/24/64/08/767246408.db2.gz QZZPWOYGCPYFIO-MRVPVSSYSA-N 1 1 157.257 1.264 10 30 ADEEMO C=C[C@@H](O)C[N@H+]1CC2CCC1CC2 1253581118 767246418 /nfs/dbraw/zinc/24/64/18/767246418.db2.gz BTRHUSXJKNAISJ-VQXHTEKXSA-N 1 1 181.279 1.408 10 30 ADEEMO C=C[C@@H](O)C[N@@H+]1CCCCC[C@@H]1C 1253582282 767246856 /nfs/dbraw/zinc/24/68/56/767246856.db2.gz MVUHQXZPSJRVOY-WDEREUQCSA-N 1 1 183.295 1.798 10 30 ADEEMO C=C[C@H](O)C[N@H+](C)C[C@@H]1CC1(C)C 1253584532 767246970 /nfs/dbraw/zinc/24/69/70/767246970.db2.gz NTRBNRHCKHDLAT-UWVGGRQHSA-N 1 1 183.295 1.511 10 30 ADEEMO C=C[C@@H](O)C[N@H+]1CCCCC12CC2 1253581489 767247038 /nfs/dbraw/zinc/24/70/38/767247038.db2.gz COKHMIHOQAFITA-SNVBAGLBSA-N 1 1 181.279 1.552 10 30 ADEEMO C=C[C@H](O)C[N@H+]1CCC2(CCC2)C1 1253584343 767247045 /nfs/dbraw/zinc/24/70/45/767247045.db2.gz MQMLUGVSHDATDF-JTQLQIEISA-N 1 1 181.279 1.409 10 30 ADEEMO C=C[C@H](O)C[N@H+](C)C(C)(C)C 1253582608 767247062 /nfs/dbraw/zinc/24/70/62/767247062.db2.gz QZZPWOYGCPYFIO-QMMMGPOBSA-N 1 1 157.257 1.264 10 30 ADEEMO C=C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)C2(C)C 1253584676 767247384 /nfs/dbraw/zinc/24/73/84/767247384.db2.gz QARHZFOHZHATGU-LPEHRKFASA-N 1 1 181.279 1.121 10 30 ADEEMO C=C[C@@H](O)C[N@@H+]1CCCC[C@@H]1CC 1253581696 767247588 /nfs/dbraw/zinc/24/75/88/767247588.db2.gz DFZOWLHFNCBULP-WDEREUQCSA-N 1 1 183.295 1.798 10 30 ADEEMO C=C[C@H](O)C[N@@H+]1CCCCC[C@H]1C 1253582280 767247685 /nfs/dbraw/zinc/24/76/85/767247685.db2.gz MVUHQXZPSJRVOY-MNOVXSKESA-N 1 1 183.295 1.798 10 30 ADEEMO C=C[C@H](O)C[N@@H+](C)CCC1CC1 1253585649 767247896 /nfs/dbraw/zinc/24/78/96/767247896.db2.gz XUFRZJMPYXQEDD-JTQLQIEISA-N 1 1 169.268 1.265 10 30 ADEEMO C=C[C@H](O)C[N@H+](C)Cc1cncs1 1253583913 767248335 /nfs/dbraw/zinc/24/83/35/767248335.db2.gz BOENQPWHWZRCLR-QMMMGPOBSA-N 1 1 198.291 1.122 10 30 ADEEMO C=C[C@@H](O)C[N@@H+](C)CCC1CC1 1253585650 767248560 /nfs/dbraw/zinc/24/85/60/767248560.db2.gz XUFRZJMPYXQEDD-SNVBAGLBSA-N 1 1 169.268 1.265 10 30 ADEEMO C=C[C@H](O)C[N@H+]1CCCCC12CC2 1253581486 767248656 /nfs/dbraw/zinc/24/86/56/767248656.db2.gz COKHMIHOQAFITA-JTQLQIEISA-N 1 1 181.279 1.552 10 30 ADEEMO C=C[C@@H](O)C[N@H+](C)CC1CCCC1 1253583418 767248804 /nfs/dbraw/zinc/24/88/04/767248804.db2.gz GDZRVGPTCJFROT-LLVKDONJSA-N 1 1 183.295 1.655 10 30 ADEEMO C=C[C@H](O)C[N@@H+]1CCC[C@@H](CC)C1 1253584540 767249008 /nfs/dbraw/zinc/24/90/08/767249008.db2.gz NXSSAJLTFRJSCA-MNOVXSKESA-N 1 1 183.295 1.655 10 30 ADEEMO C=C[C@H](O)C[N@H+](C)CC1CCCC1 1253583420 767249038 /nfs/dbraw/zinc/24/90/38/767249038.db2.gz GDZRVGPTCJFROT-NSHDSACASA-N 1 1 183.295 1.655 10 30 ADEEMO C=C[C@@H](O)C[N@@H+]1CCC[C@@H](CC)C1 1253584539 767249043 /nfs/dbraw/zinc/24/90/43/767249043.db2.gz NXSSAJLTFRJSCA-GHMZBOCLSA-N 1 1 183.295 1.655 10 30 ADEEMO C=C[C@H](O)C[N@H+]1CC2CCC1CC2 1253581114 767249045 /nfs/dbraw/zinc/24/90/45/767249045.db2.gz BTRHUSXJKNAISJ-ILDUYXDCSA-N 1 1 181.279 1.408 10 30 ADEEMO C=C[C@@H](O)C[N@H+](C)C[C@@H]1CC1(C)C 1253584533 767249051 /nfs/dbraw/zinc/24/90/51/767249051.db2.gz NTRBNRHCKHDLAT-VHSXEESVSA-N 1 1 183.295 1.511 10 30 ADEEMO C=C[C@H](O)C[N@@H+]1CCCC[C@@H]1CC 1253581686 767249308 /nfs/dbraw/zinc/24/93/08/767249308.db2.gz DFZOWLHFNCBULP-QWRGUYRKSA-N 1 1 183.295 1.798 10 30 ADEEMO C=C[C@@H](O)C[N@H+](CC)CC(=C)C 1253584314 767249350 /nfs/dbraw/zinc/24/93/50/767249350.db2.gz LZGQNABSKPLDBE-SNVBAGLBSA-N 1 1 169.268 1.431 10 30 ADEEMO C=C[C@@H](O)C[N@H+]1C[C@@H](C)C[C@@H](C)C1 1253583336 767249396 /nfs/dbraw/zinc/24/93/96/767249396.db2.gz FPUMTYPCLNLHMP-OUAUKWLOSA-N 1 1 183.295 1.511 10 30 ADEEMO C=C[C@H](O)C[N@H+](CC)CC(=C)C 1253584313 767249704 /nfs/dbraw/zinc/24/97/04/767249704.db2.gz LZGQNABSKPLDBE-JTQLQIEISA-N 1 1 169.268 1.431 10 30 ADEEMO C=C[C@H](O)C[N@H+](C)C(CC)CC 1253584242 767249863 /nfs/dbraw/zinc/24/98/63/767249863.db2.gz KVOPQNJVXYAUNM-JTQLQIEISA-N 1 1 171.284 1.654 10 30 ADEEMO C=C[C@@H](O)C[N@@H+]1CCCCC[C@H]1C 1253582279 767249873 /nfs/dbraw/zinc/24/98/73/767249873.db2.gz MVUHQXZPSJRVOY-GHMZBOCLSA-N 1 1 183.295 1.798 10 30 ADEEMO C=C[C@@H](O)C[N@@H+]1CCC[C@H](CC)C1 1253584543 767249994 /nfs/dbraw/zinc/24/99/94/767249994.db2.gz NXSSAJLTFRJSCA-WDEREUQCSA-N 1 1 183.295 1.655 10 30 ADEEMO C=C[C@H](O)C[N@H+](C)C[C@H]1CC1(C)C 1253584534 767250011 /nfs/dbraw/zinc/25/00/11/767250011.db2.gz NTRBNRHCKHDLAT-ZJUUUORDSA-N 1 1 183.295 1.511 10 30 ADEEMO C=C[C@@H](O)C[N@@H+](CC1CC1)C1CC1 1253586238 767250857 /nfs/dbraw/zinc/25/08/57/767250857.db2.gz KDEXDVWGULXMOU-LLVKDONJSA-N 1 1 181.279 1.408 10 30 ADEEMO C=C[C@@H](O)C[N@@H+]1CC[C@@H](CC)C1 1253587877 767250887 /nfs/dbraw/zinc/25/08/87/767250887.db2.gz PRNKGAUVIFPJOU-NXEZZACHSA-N 1 1 169.268 1.265 10 30 ADEEMO C=C[C@@H](O)C[N@@H+]1CCC[C@H]1C(C)C 1253586951 767250974 /nfs/dbraw/zinc/25/09/74/767250974.db2.gz VTYNKUUQDXUGBY-MNOVXSKESA-N 1 1 183.295 1.654 10 30 ADEEMO C=C[C@H](O)C[N@@H+](CCC)CC(C)C 1253586967 767251711 /nfs/dbraw/zinc/25/17/11/767251711.db2.gz WATCTSCKTQHCRR-NSHDSACASA-N 1 1 185.311 1.901 10 30 ADEEMO C=CC[N@@H+](C[C@H](O)C=C)C(C)(C)C 1253588391 767252184 /nfs/dbraw/zinc/25/21/84/767252184.db2.gz VDBMYIKHXYOKQV-SNVBAGLBSA-N 1 1 183.295 1.820 10 30 ADEEMO C=C[C@H](O)C[N@H+]1CCC[C@H]2C[C@H]21 1253585860 767252378 /nfs/dbraw/zinc/25/23/78/767252378.db2.gz HBOQTDFQLFXYGV-LPEHRKFASA-N 1 1 167.252 1.018 10 30 ADEEMO C=C[C@H](O)C[N@@H+]1CCC[C@H]1C(C)C 1253586952 767252632 /nfs/dbraw/zinc/25/26/32/767252632.db2.gz VTYNKUUQDXUGBY-QWRGUYRKSA-N 1 1 183.295 1.654 10 30 ADEEMO C=C[C@H](O)C[N@@H+](CC1CC1)C1CC1 1253586239 767252888 /nfs/dbraw/zinc/25/28/88/767252888.db2.gz KDEXDVWGULXMOU-NSHDSACASA-N 1 1 181.279 1.408 10 30 ADEEMO C=C[C@@H](O)C[N@@H+]1CCC[C@@H]1C(C)C 1253586950 767252894 /nfs/dbraw/zinc/25/28/94/767252894.db2.gz VTYNKUUQDXUGBY-GHMZBOCLSA-N 1 1 183.295 1.654 10 30 ADEEMO C=C[C@H](O)C[N@@H+]1CCC[C@@H]1C(C)C 1253586953 767253730 /nfs/dbraw/zinc/25/37/30/767253730.db2.gz VTYNKUUQDXUGBY-WDEREUQCSA-N 1 1 183.295 1.654 10 30 ADEEMO C=CCCCC[N@H+](C)C[C@H](O)C=C 1253586693 767253760 /nfs/dbraw/zinc/25/37/60/767253760.db2.gz QEGYTIJLUBXLJZ-LLVKDONJSA-N 1 1 183.295 1.821 10 30 ADEEMO C=C[C@H](O)C[N@H+]1CCC[C@@H]2C[C@@H]21 1253585861 767253905 /nfs/dbraw/zinc/25/39/05/767253905.db2.gz HBOQTDFQLFXYGV-UTLUCORTSA-N 1 1 167.252 1.018 10 30 ADEEMO C=CC[N@@H+](C[C@@H](O)C=C)C(C)(C)C 1253588390 767254151 /nfs/dbraw/zinc/25/41/51/767254151.db2.gz VDBMYIKHXYOKQV-JTQLQIEISA-N 1 1 183.295 1.820 10 30 ADEEMO C=C[C@H](O)C[N@@H+]1CC[C@@H](CC)C1 1253587878 767254219 /nfs/dbraw/zinc/25/42/19/767254219.db2.gz PRNKGAUVIFPJOU-ZJUUUORDSA-N 1 1 169.268 1.265 10 30 ADEEMO C=CCCCC[N@H+](C)C[C@@H](O)C=C 1253586694 767254229 /nfs/dbraw/zinc/25/42/29/767254229.db2.gz QEGYTIJLUBXLJZ-NSHDSACASA-N 1 1 183.295 1.821 10 30 ADEEMO C=C[C@@H](O)C[N@@H+](CCC)CC(C)C 1253586966 767254545 /nfs/dbraw/zinc/25/45/45/767254545.db2.gz WATCTSCKTQHCRR-LLVKDONJSA-N 1 1 185.311 1.901 10 30 ADEEMO C=C[C@H](O)C[NH2+][C@H]1CCCC1(F)F 1253606079 767262561 /nfs/dbraw/zinc/26/25/61/767262561.db2.gz ZBJJMNQRNWNOLC-YUMQZZPRSA-N 1 1 191.221 1.311 10 30 ADEEMO C=C[C@H](O)C[NH2+][C@@H]1CCCC1(F)F 1253606077 767263632 /nfs/dbraw/zinc/26/36/32/767263632.db2.gz ZBJJMNQRNWNOLC-JGVFFNPUSA-N 1 1 191.221 1.311 10 30 ADEEMO C=C[C@@H](O)C[NH2+][C@H]1CCCC1(F)F 1253606078 767264949 /nfs/dbraw/zinc/26/49/49/767264949.db2.gz ZBJJMNQRNWNOLC-SFYZADRCSA-N 1 1 191.221 1.311 10 30 ADEEMO C=C[C@@H](O)C[NH2+][C@@H]1CCCC1(F)F 1253606076 767265151 /nfs/dbraw/zinc/26/51/51/767265151.db2.gz ZBJJMNQRNWNOLC-HTQZYQBOSA-N 1 1 191.221 1.311 10 30 ADEEMO C[C@@H]1C(=O)C=C2[C@H]1C[N@@H+](C)C[C@@H]2C 4098472 560195808 /nfs/dbraw/zinc/19/58/08/560195808.db2.gz QGCAKXUASFKRJA-NRPADANISA-N 1 1 179.263 1.329 10 30 biogenic,in-vitro ADEEMO C/[NH+]=C(\C)[C@H](O)c1ccccc1 4654634 560198949 /nfs/dbraw/zinc/19/89/49/560198949.db2.gz WJOBFSVTSCWIDG-NGPGYTDTSA-N 1 1 163.220 1.811 10 30 in-vitro ADEEMO C/[NH+]=C(/C)[C@H](O)c1ccccc1 13540395 560219146 /nfs/dbraw/zinc/21/91/46/560219146.db2.gz WJOBFSVTSCWIDG-DFYQSJSGSA-N 1 1 163.220 1.811 10 30 in-vitro ADEEMO C=CC[N@H+](C)CC 32228252 1169065914 /nfs/dbraw/zinc/06/59/14/1169065914.db2.gz LQVWXFHNYICENT-UHFFFAOYSA-N 1 1 99.177 1.124 10 30 ADEEMO C=CC[N@H+](C)CCCC 32228351 1169067573 /nfs/dbraw/zinc/06/75/73/1169067573.db2.gz DCEKOMOFQSMZIM-UHFFFAOYSA-N 1 1 127.231 1.904 10 30 ADEEMO N#Cc1ccc(Cc2[nH]cc[nH+]2)cc1 38301727 1169078516 /nfs/dbraw/zinc/07/85/16/1169078516.db2.gz ICGOVDHTTBNXJI-UHFFFAOYSA-N 1 1 183.214 1.872 10 30 ADEEMO C#CC[N@H+](CC)CCCC 41636107 1169088928 /nfs/dbraw/zinc/08/89/28/1169088928.db2.gz WOQZWFDICIYABJ-UHFFFAOYSA-N 1 1 139.242 1.742 10 30 ADEEMO C=CC[NH2+]Cc1csc(CC)n1 54918085 1169094423 /nfs/dbraw/zinc/09/44/23/1169094423.db2.gz DNUBHWVQTNGLLF-UHFFFAOYSA-N 1 1 182.292 1.981 10 30 ADEEMO C=CC[NH2+][C@@H]1CCCN(C)CC1 83417698 1169112024 /nfs/dbraw/zinc/11/20/24/1169112024.db2.gz CFWYTQSFBRNLSI-SNVBAGLBSA-N 1 1 168.284 1.246 10 30 ADEEMO C=CC[NH2+][C@H]1CCCN(C)CC1 83417696 1169112421 /nfs/dbraw/zinc/11/24/21/1169112421.db2.gz CFWYTQSFBRNLSI-JTQLQIEISA-N 1 1 168.284 1.246 10 30 ADEEMO C#CCC[NH2+][C@@H]1CCCN(C)CC1 83419059 1169112785 /nfs/dbraw/zinc/11/27/85/1169112785.db2.gz BFKMDKCBTFAWQN-LLVKDONJSA-N 1 1 180.295 1.084 10 30 ADEEMO C#CCC[NH2+][C@H]1CCCN(C)CC1 83419057 1169113924 /nfs/dbraw/zinc/11/39/24/1169113924.db2.gz BFKMDKCBTFAWQN-NSHDSACASA-N 1 1 180.295 1.084 10 30 ADEEMO CC(C)CC[N@H+]1CC[C@@H](C#N)C1 84428487 1169118668 /nfs/dbraw/zinc/11/86/68/1169118668.db2.gz JBNJQORTZDLFOT-JTQLQIEISA-N 1 1 166.268 1.878 10 30 ADEEMO N#C[C@H]1CC[N@H+](C[C@H]2CCCO2)C1 84446396 1169119375 /nfs/dbraw/zinc/11/93/75/1169119375.db2.gz RCNRGRUKJIDOCF-NXEZZACHSA-N 1 1 180.251 1.011 10 30 ADEEMO N#C[C@H]1CC[N@@H+](C[C@H]2CCCO2)C1 84446396 1169119382 /nfs/dbraw/zinc/11/93/82/1169119382.db2.gz RCNRGRUKJIDOCF-NXEZZACHSA-N 1 1 180.251 1.011 10 30 ADEEMO N#C[C@H]1CC[N@H+](C[C@@H]2CCCO2)C1 84446397 1169119722 /nfs/dbraw/zinc/11/97/22/1169119722.db2.gz RCNRGRUKJIDOCF-ZJUUUORDSA-N 1 1 180.251 1.011 10 30 ADEEMO N#C[C@H]1CC[N@@H+](C[C@@H]2CCCO2)C1 84446397 1169119730 /nfs/dbraw/zinc/11/97/30/1169119730.db2.gz RCNRGRUKJIDOCF-ZJUUUORDSA-N 1 1 180.251 1.011 10 30 ADEEMO N#C[C@H]1CC[N@H+](C2CCCC2)C1 84427881 1169119963 /nfs/dbraw/zinc/11/99/63/1169119963.db2.gz VTIXXCCRNPIEPO-SECBINFHSA-N 1 1 164.252 1.774 10 30 ADEEMO N#C[C@@H]1CC[N@H+](C2CCCC2)C1 84427882 1169120844 /nfs/dbraw/zinc/12/08/44/1169120844.db2.gz VTIXXCCRNPIEPO-VIFPVBQESA-N 1 1 164.252 1.774 10 30 ADEEMO CC(C)CC[N@H+]1CC[C@H](C#N)C1 84428484 1169121154 /nfs/dbraw/zinc/12/11/54/1169121154.db2.gz JBNJQORTZDLFOT-SNVBAGLBSA-N 1 1 166.268 1.878 10 30 ADEEMO C=CC[N@H+](C)C(C)C 90750547 1169125671 /nfs/dbraw/zinc/12/56/71/1169125671.db2.gz FNTKCFXJXGIBPO-UHFFFAOYSA-N 1 1 113.204 1.513 10 30 ADEEMO C=C(Cl)C[NH+]1CCC(OC)CC1 306327828 673916313 /nfs/dbraw/zinc/91/63/13/673916313.db2.gz AHVQJIVXNFMJBX-UHFFFAOYSA-N 1 1 189.686 1.850 10 30 ADEEMO C#CCCC[N@H+]1C[C@@H]2CCC[C@@H]21 306447663 673916694 /nfs/dbraw/zinc/91/66/94/673916694.db2.gz FZCGVNURWKKYKR-QWRGUYRKSA-N 1 1 163.264 1.884 10 30 ADEEMO C#CC[N@@H+]1CCC[C@@H](C(C)C)C1 307281318 673918799 /nfs/dbraw/zinc/91/87/99/673918799.db2.gz FWIXKLFHXNNNNU-LLVKDONJSA-N 1 1 165.280 1.988 10 30 ADEEMO C#CCC[N@@H+]1CCC[C@@](C)(C#N)C1 307441577 673920280 /nfs/dbraw/zinc/92/02/80/673920280.db2.gz ALNMOAOJUCXPOU-NSHDSACASA-N 1 1 176.263 1.635 10 30 ADEEMO C#CCCC[N@@H+]1CCOC[C@@H](C)C1 307707469 673921375 /nfs/dbraw/zinc/92/13/75/673921375.db2.gz HLIBBBRYPCYKHO-NSHDSACASA-N 1 1 181.279 1.368 10 30 ADEEMO C#CCn1c[nH+]c2c1C[C@H](C)[C@@H](C)C2 307257106 673925718 /nfs/dbraw/zinc/92/57/18/673925718.db2.gz BDLCBOCKHIXGBU-UWVGGRQHSA-N 1 1 188.274 1.887 10 30 ADEEMO C=CCCC[N@@H+](C)CCF 307733601 673922869 /nfs/dbraw/zinc/92/28/69/673922869.db2.gz NORWCOLMILANQN-UHFFFAOYSA-N 1 1 145.221 1.854 10 30 ADEEMO C#CC(C)(C)[N@@H+](C)CC(=C)C 307726781 673922891 /nfs/dbraw/zinc/92/28/91/673922891.db2.gz DIRDFCWCCGFDPL-UHFFFAOYSA-N 1 1 151.253 1.906 10 30 ADEEMO N#C[C@H]1CC[N@H+](C2CCOCC2)C1 107459582 1169143293 /nfs/dbraw/zinc/14/32/93/1169143293.db2.gz RVWJGDHOJJGGBI-SECBINFHSA-N 1 1 180.251 1.011 10 30 ADEEMO C#CC[N@H+]1CCC[C@@H]2COCC[C@@H]21 307191945 673924721 /nfs/dbraw/zinc/92/47/21/673924721.db2.gz LDWIZHDTQXLXPX-MNOVXSKESA-N 1 1 179.263 1.121 10 30 ADEEMO C#CC[N@@H+]1CCC[C@H](C(C)C)C1 307281319 673926124 /nfs/dbraw/zinc/92/61/24/673926124.db2.gz FWIXKLFHXNNNNU-NSHDSACASA-N 1 1 165.280 1.988 10 30 ADEEMO C=CC[N@@H+](C)Cc1cncnc1 308144073 673926718 /nfs/dbraw/zinc/92/67/18/673926718.db2.gz IZYNVFNOTONQNB-UHFFFAOYSA-N 1 1 163.224 1.094 10 30 ADEEMO C=CC[N@H+](C)Cc1cncnc1 308144073 673926722 /nfs/dbraw/zinc/92/67/22/673926722.db2.gz IZYNVFNOTONQNB-UHFFFAOYSA-N 1 1 163.224 1.094 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1C[C@@H](N)[C@H](C)C1 723462826 673928316 /nfs/dbraw/zinc/92/83/16/673928316.db2.gz RDHRAOYTOXQQGX-OPRDCNLKSA-N 1 1 168.284 1.230 10 30 ADEEMO C=CC[C@@H](C)[N@@H+]1C[C@@H](N)[C@H](C)C1 723462826 673928319 /nfs/dbraw/zinc/92/83/19/673928319.db2.gz RDHRAOYTOXQQGX-OPRDCNLKSA-N 1 1 168.284 1.230 10 30 ADEEMO C=CCC[N@@H+]1CCO[C@H](C(F)F)C1 308186737 673928374 /nfs/dbraw/zinc/92/83/74/673928374.db2.gz JSJBVTWPJJOLLV-QMMMGPOBSA-N 1 1 191.221 1.528 10 30 ADEEMO C=CCC[N@H+]1CCO[C@H](C(F)F)C1 308186737 673928377 /nfs/dbraw/zinc/92/83/77/673928377.db2.gz JSJBVTWPJJOLLV-QMMMGPOBSA-N 1 1 191.221 1.528 10 30 ADEEMO C[NH+](C)Cc1cc(F)ccc1C#N 114075008 1169150801 /nfs/dbraw/zinc/15/08/01/1169150801.db2.gz JOEDCSDZJOVFAB-UHFFFAOYSA-N 1 1 178.210 1.759 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1CCN1CCCC1 934459304 673936832 /nfs/dbraw/zinc/93/68/32/673936832.db2.gz HZTQWYAACJJBCA-LBPRGKRZSA-N 1 1 194.322 1.733 10 30 ADEEMO C=CC[C@H]1CC[N@H+]1CCN1CCCC1 934459304 673936833 /nfs/dbraw/zinc/93/68/33/673936833.db2.gz HZTQWYAACJJBCA-LBPRGKRZSA-N 1 1 194.322 1.733 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1[C@@H](C)COC 934460549 673936560 /nfs/dbraw/zinc/93/65/60/673936560.db2.gz QHIGOPBFKSBNRG-UWVGGRQHSA-N 1 1 169.268 1.672 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1C[C@H](O)C1CC1 934458981 673936742 /nfs/dbraw/zinc/93/67/42/673936742.db2.gz GYEICHPFISWMGZ-MNOVXSKESA-N 1 1 181.279 1.408 10 30 ADEEMO C=CC[C@@H]1CC[N@H+]1CCn1cccn1 934460500 673936880 /nfs/dbraw/zinc/93/68/80/673936880.db2.gz PWJSAISFOVHKSR-LLVKDONJSA-N 1 1 191.278 1.534 10 30 ADEEMO C=CC[C@H]1CC[N@H+]1CCOCCC#N 934458954 673936904 /nfs/dbraw/zinc/93/69/04/673936904.db2.gz GLOHVAOEUSECCU-NSHDSACASA-N 1 1 194.278 1.567 10 30 ADEEMO C#CC[N@H+](C)Cc1ccc(O)cc1 114439653 1169153580 /nfs/dbraw/zinc/15/35/80/1169153580.db2.gz TZCWQOLNDQPNKD-UHFFFAOYSA-N 1 1 175.231 1.457 10 30 ADEEMO C=C(C)CC[N@H+](CC)CCC(=O)NC 933862553 673933461 /nfs/dbraw/zinc/93/34/61/673933461.db2.gz JMOAQRVUAIMWAZ-UHFFFAOYSA-N 1 1 198.310 1.411 10 30 ADEEMO C=CC[N@H+]1CC(=O)NC[C@@H]1C(C)(C)C 933822455 673933892 /nfs/dbraw/zinc/93/38/92/673933892.db2.gz LYWPHRBJJASRIG-SECBINFHSA-N 1 1 196.294 1.019 10 30 ADEEMO C=CC[N@@H+]1CC(=O)NC[C@@H]1C(C)(C)C 933822455 673933896 /nfs/dbraw/zinc/93/38/96/673933896.db2.gz LYWPHRBJJASRIG-SECBINFHSA-N 1 1 196.294 1.019 10 30 ADEEMO C=CC[N@H+]1CC(=O)NC[C@H]1C(C)(C)C 933822456 673934038 /nfs/dbraw/zinc/93/40/38/673934038.db2.gz LYWPHRBJJASRIG-VIFPVBQESA-N 1 1 196.294 1.019 10 30 ADEEMO C=CC[N@@H+]1CC(=O)NC[C@H]1C(C)(C)C 933822456 673934039 /nfs/dbraw/zinc/93/40/39/673934039.db2.gz LYWPHRBJJASRIG-VIFPVBQESA-N 1 1 196.294 1.019 10 30 ADEEMO C=CCCO[NH+]=C(N)[C@@H]1C[C@@H]1C 848522280 673935794 /nfs/dbraw/zinc/93/57/94/673935794.db2.gz XISDPAPQRXGGGV-JGVFFNPUSA-N 1 1 168.240 1.717 10 30 ADEEMO C=CCCO[NH+]=C(N)[C@@H]1C[C@H]1C 848522275 673935830 /nfs/dbraw/zinc/93/58/30/673935830.db2.gz XISDPAPQRXGGGV-HTQZYQBOSA-N 1 1 168.240 1.717 10 30 ADEEMO C#CCOCC[N@@H+]1C[C@H]2CCC[C@H]2C1 934348114 673936043 /nfs/dbraw/zinc/93/60/43/673936043.db2.gz CXHMIJWXELCCSL-TXEJJXNPSA-N 1 1 193.290 1.368 10 30 ADEEMO C#CCOCC[N@H+]1CC[C@@H]2CCC[C@@H]21 934338695 673936162 /nfs/dbraw/zinc/93/61/62/673936162.db2.gz ICIDSLHBMIGHOU-RYUDHWBXSA-N 1 1 193.290 1.511 10 30 ADEEMO C=CC[C@@H]1CC[N@H+]1CCn1ccnc1 934459138 673936290 /nfs/dbraw/zinc/93/62/90/673936290.db2.gz CVAZMZGPQSAXIB-LLVKDONJSA-N 1 1 191.278 1.534 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1CCN1CCCC1 934459302 673936346 /nfs/dbraw/zinc/93/63/46/673936346.db2.gz HZTQWYAACJJBCA-GFCCVEGCSA-N 1 1 194.322 1.733 10 30 ADEEMO C=CC[C@@H]1CC[N@H+]1CCN1CCCC1 934459302 673936348 /nfs/dbraw/zinc/93/63/48/673936348.db2.gz HZTQWYAACJJBCA-GFCCVEGCSA-N 1 1 194.322 1.733 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1CC1(C)COC1 934460539 673936385 /nfs/dbraw/zinc/93/63/85/673936385.db2.gz QETKNZRCSKQFRH-JTQLQIEISA-N 1 1 181.279 1.673 10 30 ADEEMO CC#CC[N@H+]1CCOC[C@]1(C)C1CC1 934478191 673936402 /nfs/dbraw/zinc/93/64/02/673936402.db2.gz RGVRSWIKBRCRCB-GFCCVEGCSA-N 1 1 193.290 1.511 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1C[C@H](C)OC 934459070 673936492 /nfs/dbraw/zinc/93/64/92/673936492.db2.gz BDCAYOSGADJIIG-UWVGGRQHSA-N 1 1 169.268 1.672 10 30 ADEEMO C=CC[C@@H]1CC[N@H+]1Cc1nccn1C 934458941 673936437 /nfs/dbraw/zinc/93/64/37/673936437.db2.gz GJIYERRRNNIJLY-SNVBAGLBSA-N 1 1 191.278 1.571 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1Cc1nccn1C 934458941 673936440 /nfs/dbraw/zinc/93/64/40/673936440.db2.gz GJIYERRRNNIJLY-SNVBAGLBSA-N 1 1 191.278 1.571 10 30 ADEEMO CC#CC[N@H+]1CCOC[C@@]1(C)C1CC1 934478192 673936504 /nfs/dbraw/zinc/93/65/04/673936504.db2.gz RGVRSWIKBRCRCB-LBPRGKRZSA-N 1 1 193.290 1.511 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1C[C@H](O)C1CC1 934458983 673936514 /nfs/dbraw/zinc/93/65/14/673936514.db2.gz GYEICHPFISWMGZ-QWRGUYRKSA-N 1 1 181.279 1.408 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1CCOC(F)F 934459165 673936518 /nfs/dbraw/zinc/93/65/18/673936518.db2.gz ASXGADNFECJBAM-MRVPVSSYSA-N 1 1 191.221 1.876 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1CC1(C)COC1 934460540 673936528 /nfs/dbraw/zinc/93/65/28/673936528.db2.gz QETKNZRCSKQFRH-SNVBAGLBSA-N 1 1 181.279 1.673 10 30 ADEEMO C=CC[C@@H]1CC[N@H+]1CCOCCC#N 934458950 673936584 /nfs/dbraw/zinc/93/65/84/673936584.db2.gz GLOHVAOEUSECCU-LLVKDONJSA-N 1 1 194.278 1.567 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1CCN(C#N)CC 934458618 673936564 /nfs/dbraw/zinc/93/65/64/673936564.db2.gz BETCHTAMGWXXDK-LLVKDONJSA-N 1 1 193.294 1.440 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1CCC1(O)CCC1 934459336 673936581 /nfs/dbraw/zinc/93/65/81/673936581.db2.gz ITDDVEPCXDOWDM-NSHDSACASA-N 1 1 195.306 1.942 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1CCN(C#N)CC 934458619 673936588 /nfs/dbraw/zinc/93/65/88/673936588.db2.gz BETCHTAMGWXXDK-NSHDSACASA-N 1 1 193.294 1.440 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1C[C@@H](C)OC 934459068 673936605 /nfs/dbraw/zinc/93/66/05/673936605.db2.gz BDCAYOSGADJIIG-NXEZZACHSA-N 1 1 169.268 1.672 10 30 ADEEMO C=CC[C@H]1CC[N@H+]1CCn1cccn1 934460502 673936616 /nfs/dbraw/zinc/93/66/16/673936616.db2.gz PWJSAISFOVHKSR-NSHDSACASA-N 1 1 191.278 1.534 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1CC(OC)OC 934460433 673936641 /nfs/dbraw/zinc/93/66/41/673936641.db2.gz IPYLAZPNRLBSAX-VIFPVBQESA-N 1 1 185.267 1.256 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1CC(C)(C)O 934459122 673936664 /nfs/dbraw/zinc/93/66/64/673936664.db2.gz BKQAPCFLVSZMEF-SECBINFHSA-N 1 1 169.268 1.408 10 30 ADEEMO C=CC[C@H]1CC[N@H+]1Cc1nccn1C 934458939 673936684 /nfs/dbraw/zinc/93/66/84/673936684.db2.gz GJIYERRRNNIJLY-JTQLQIEISA-N 1 1 191.278 1.571 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1Cc1nccn1C 934458939 673936686 /nfs/dbraw/zinc/93/66/86/673936686.db2.gz GJIYERRRNNIJLY-JTQLQIEISA-N 1 1 191.278 1.571 10 30 ADEEMO C#C[C@H]1CCCC[N@@H+]1CCC(C)=O 934509848 673936698 /nfs/dbraw/zinc/93/66/98/673936698.db2.gz QJCDMEBMNPSRDU-NSHDSACASA-N 1 1 179.263 1.453 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1C[C@@H](O)C1CC1 934458980 673936729 /nfs/dbraw/zinc/93/67/29/673936729.db2.gz GYEICHPFISWMGZ-GHMZBOCLSA-N 1 1 181.279 1.408 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1C[C@H](C)OC 934459073 673936757 /nfs/dbraw/zinc/93/67/57/673936757.db2.gz BDCAYOSGADJIIG-VHSXEESVSA-N 1 1 169.268 1.672 10 30 ADEEMO C#C[C@@H]1CCCC[N@@H+]1CCC(C)=O 934509847 673936778 /nfs/dbraw/zinc/93/67/78/673936778.db2.gz QJCDMEBMNPSRDU-LLVKDONJSA-N 1 1 179.263 1.453 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1[C@H](C)COC 934460551 673936786 /nfs/dbraw/zinc/93/67/86/673936786.db2.gz QHIGOPBFKSBNRG-ZJUUUORDSA-N 1 1 169.268 1.672 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1[C@@H](C)COC 934460550 673936790 /nfs/dbraw/zinc/93/67/90/673936790.db2.gz QHIGOPBFKSBNRG-VHSXEESVSA-N 1 1 169.268 1.672 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1[C@H](C)COC 934460548 673936800 /nfs/dbraw/zinc/93/68/00/673936800.db2.gz QHIGOPBFKSBNRG-NXEZZACHSA-N 1 1 169.268 1.672 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1CCOC(F)F 934459172 673936812 /nfs/dbraw/zinc/93/68/12/673936812.db2.gz ASXGADNFECJBAM-QMMMGPOBSA-N 1 1 191.221 1.876 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1CC(OC)OC 934460432 673936839 /nfs/dbraw/zinc/93/68/39/673936839.db2.gz IPYLAZPNRLBSAX-SECBINFHSA-N 1 1 185.267 1.256 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1CCC1(O)CCC1 934459335 673936864 /nfs/dbraw/zinc/93/68/64/673936864.db2.gz ITDDVEPCXDOWDM-LLVKDONJSA-N 1 1 195.306 1.942 10 30 ADEEMO C=CC[C@H]1CC[N@H+]1CCn1ccnc1 934459142 673936876 /nfs/dbraw/zinc/93/68/76/673936876.db2.gz CVAZMZGPQSAXIB-NSHDSACASA-N 1 1 191.278 1.534 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1C[C@@H](O)C1CC1 934458985 673936885 /nfs/dbraw/zinc/93/68/85/673936885.db2.gz GYEICHPFISWMGZ-WDEREUQCSA-N 1 1 181.279 1.408 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1CC(C)(C)O 934459123 673936916 /nfs/dbraw/zinc/93/69/16/673936916.db2.gz BKQAPCFLVSZMEF-VIFPVBQESA-N 1 1 169.268 1.408 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1C[C@@H](C)OC 934459075 673936922 /nfs/dbraw/zinc/93/69/22/673936922.db2.gz BDCAYOSGADJIIG-ZJUUUORDSA-N 1 1 169.268 1.672 10 30 ADEEMO N#Cc1cncc(C[N@@H+]2C[C@H]3C[C@H]3C2)c1 721596916 673940222 /nfs/dbraw/zinc/94/02/22/673940222.db2.gz HZPNQEGETBWRFS-TXEJJXNPSA-N 1 1 199.257 1.405 10 30 ADEEMO C#C[C@@](C)(CC)[NH2+]Cc1nocc1C 720363379 673942795 /nfs/dbraw/zinc/94/27/95/673942795.db2.gz VHZJNPWNOAKOOO-NSHDSACASA-N 1 1 192.262 1.875 10 30 ADEEMO CC#CC[N@H+](C)C/C=C(\C)COC 930587755 673945608 /nfs/dbraw/zinc/94/56/08/673945608.db2.gz DFNGXTZFCIOVIU-YRNVUSSQSA-N 1 1 181.279 1.534 10 30 ADEEMO CC#CC[N@H+](C)C/C=C(/C)COC 930587751 673946072 /nfs/dbraw/zinc/94/60/72/673946072.db2.gz DFNGXTZFCIOVIU-XFFZJAGNSA-N 1 1 181.279 1.534 10 30 ADEEMO CC[C@@H](CC#N)[N@H+]1CCC[C@@](C)(O)C1 123830675 1169166763 /nfs/dbraw/zinc/16/67/63/1169166763.db2.gz OCSDCPSRICOUSY-WDEREUQCSA-N 1 1 196.294 1.525 10 30 ADEEMO C=CC[C@@H](C)[N@@H+]1C[C@H]2[C@H](N(C)C)[C@H]2C1 931276035 673947197 /nfs/dbraw/zinc/94/71/97/673947197.db2.gz DHZAGGMJKIHZCR-WYUUTHIRSA-N 1 1 194.322 1.443 10 30 ADEEMO C=CC[C@H](C)[N@@H+]1C[C@H]2[C@H](N(C)C)[C@H]2C1 931276034 673947657 /nfs/dbraw/zinc/94/76/57/673947657.db2.gz DHZAGGMJKIHZCR-NNYUYHANSA-N 1 1 194.322 1.443 10 30 ADEEMO CC[C@H](CC#N)[N@H+]1CCC[C@@](C)(O)C1 123830889 1169167457 /nfs/dbraw/zinc/16/74/57/1169167457.db2.gz OCSDCPSRICOUSY-GHMZBOCLSA-N 1 1 196.294 1.525 10 30 ADEEMO CC#CCC[NH2+]C1CCN(CC)CC1 125466334 1169171021 /nfs/dbraw/zinc/17/10/21/1169171021.db2.gz LBAXGWOERRATMZ-UHFFFAOYSA-N 1 1 194.322 1.474 10 30 ADEEMO C[N@@H+](CCO)CC1CCC(C#N)CC1 261154467 673951841 /nfs/dbraw/zinc/95/18/41/673951841.db2.gz TZRIVSFGRIRXNY-UHFFFAOYSA-N 1 1 196.294 1.240 10 30 ADEEMO CC#CCC[NH2+]Cc1csnn1 125509018 1169172559 /nfs/dbraw/zinc/17/25/59/1169172559.db2.gz QEYISHKQQOYGPX-UHFFFAOYSA-N 1 1 181.264 1.041 10 30 ADEEMO N#C[C@@H]1CCC[N@H+]([C@@H]2CCC[C@H]2O)C1 250646139 673953317 /nfs/dbraw/zinc/95/33/17/673953317.db2.gz JXCZCBAHNKUSAS-HBNTYKKESA-N 1 1 194.278 1.135 10 30 ADEEMO C[C@@H]1CC(=NOCCC2CC2)C[N@H+]1C 814244672 673954585 /nfs/dbraw/zinc/95/45/85/673954585.db2.gz ACQKYSOWNFQSJN-SECBINFHSA-N 1 1 196.294 1.883 10 30 ADEEMO C[C@H]1CC(=NOCCC2CC2)C[N@H+]1C 814244673 673954701 /nfs/dbraw/zinc/95/47/01/673954701.db2.gz ACQKYSOWNFQSJN-VIFPVBQESA-N 1 1 196.294 1.883 10 30 ADEEMO C#CCCC[N@@H+]1CC[C@H](C(C)(C)O)C1 721786861 673955374 /nfs/dbraw/zinc/95/53/74/673955374.db2.gz DTIQHPXMSGTDSM-NSHDSACASA-N 1 1 195.306 1.493 10 30 ADEEMO CC[C@H](CC#N)[N@H+]1CC[C@H](O)[C@H](C)C1 126943832 1169176662 /nfs/dbraw/zinc/17/66/62/1169176662.db2.gz XNTFVHNCOLVRRE-MXWKQRLJSA-N 1 1 196.294 1.381 10 30 ADEEMO CC(C)(O)[C@H]1CC[N@@H+](CCCC#N)C1 721837910 673957503 /nfs/dbraw/zinc/95/75/03/673957503.db2.gz MSYSZJCQXZMCBV-JTQLQIEISA-N 1 1 196.294 1.383 10 30 ADEEMO C[C@H]1C[N@@H+](C)CC1=NOC1CCC1 308325142 673957561 /nfs/dbraw/zinc/95/75/61/673957561.db2.gz FHJNMPVYLNZLDV-QMMMGPOBSA-N 1 1 182.267 1.493 10 30 ADEEMO CC(C)(O)[C@@H]1CC[N@@H+](CCCC#N)C1 721837912 673957620 /nfs/dbraw/zinc/95/76/20/673957620.db2.gz MSYSZJCQXZMCBV-SNVBAGLBSA-N 1 1 196.294 1.383 10 30 ADEEMO C#CC[C@H]1CC[N@@H+](Cc2cocn2)C1 862445364 673960335 /nfs/dbraw/zinc/96/03/35/673960335.db2.gz RMJXDNNGFVMJFL-JTQLQIEISA-N 1 1 190.246 1.520 10 30 ADEEMO Cc1cnccc1C[NH2+]C[C@H](C)C#N 129761359 1169181460 /nfs/dbraw/zinc/18/14/60/1169181460.db2.gz CBRPDTUYJSRRPK-SECBINFHSA-N 1 1 189.262 1.639 10 30 ADEEMO C#CC[C@@H]1CC[N@@H+](Cc2cocn2)C1 862445365 673960443 /nfs/dbraw/zinc/96/04/43/673960443.db2.gz RMJXDNNGFVMJFL-SNVBAGLBSA-N 1 1 190.246 1.520 10 30 ADEEMO C#CC[N@@H+](C)Cc1cccc(F)c1N 130347042 1169182200 /nfs/dbraw/zinc/18/22/00/1169182200.db2.gz WFDUGYFTBSKVSL-UHFFFAOYSA-N 1 1 192.237 1.473 10 30 ADEEMO C#CC[N@H+](C)Cc1cccc(F)c1N 130347042 1169182206 /nfs/dbraw/zinc/18/22/06/1169182206.db2.gz WFDUGYFTBSKVSL-UHFFFAOYSA-N 1 1 192.237 1.473 10 30 ADEEMO C#CCCNc1cc(CC)[nH+]c(C)n1 84082085 673963153 /nfs/dbraw/zinc/96/31/53/673963153.db2.gz BDHUKGBTWBBSHN-UHFFFAOYSA-N 1 1 189.262 1.783 10 30 ADEEMO C#CC[N@H+]1CCC[C@H]2CCC[C@@H]21 83701967 673963189 /nfs/dbraw/zinc/96/31/89/673963189.db2.gz AUNILHGABNGQAS-MNOVXSKESA-N 1 1 163.264 1.884 10 30 ADEEMO C#CC[N@H+]1C[C@@H](C)CC[C@@H]1C 84051261 673963207 /nfs/dbraw/zinc/96/32/07/673963207.db2.gz JDQGVAGHIGEKMZ-UWVGGRQHSA-N 1 1 151.253 1.740 10 30 ADEEMO C#CC[N@H+]1C[C@H](C)CC[C@@H]1C 84051257 673963225 /nfs/dbraw/zinc/96/32/25/673963225.db2.gz JDQGVAGHIGEKMZ-ZJUUUORDSA-N 1 1 151.253 1.740 10 30 ADEEMO C#CC[N@H+]1C[C@H](C)CC[C@H]1C 84051266 673963277 /nfs/dbraw/zinc/96/32/77/673963277.db2.gz JDQGVAGHIGEKMZ-NXEZZACHSA-N 1 1 151.253 1.740 10 30 ADEEMO C#CC[N@H+]1CCC[C@@H]2CCC[C@@H]21 83701969 673963572 /nfs/dbraw/zinc/96/35/72/673963572.db2.gz AUNILHGABNGQAS-QWRGUYRKSA-N 1 1 163.264 1.884 10 30 ADEEMO C=CCC[C@H](C)[NH2+]CC(=O)OC 131910721 1169185933 /nfs/dbraw/zinc/18/59/33/1169185933.db2.gz KTMFPQVTBPXRCE-QMMMGPOBSA-N 1 1 171.240 1.104 10 30 ADEEMO C#CC[N@@H+]1CC[C@H](C(C)C)C1 157999667 673966964 /nfs/dbraw/zinc/96/69/64/673966964.db2.gz XZENTOZRWYLKGR-JTQLQIEISA-N 1 1 151.253 1.598 10 30 ADEEMO C[C@@H](CC#N)[NH2+]Cc1cc[nH]c1 134974912 1169189655 /nfs/dbraw/zinc/18/96/55/1169189655.db2.gz KPTCSBIYRXKNRR-QMMMGPOBSA-N 1 1 163.224 1.406 10 30 ADEEMO CC[C@@H](CC#N)[N@H+](C)[C@@H]1CCOC1 134694785 1169190235 /nfs/dbraw/zinc/19/02/35/1169190235.db2.gz CCPNFNMDAVFBPN-VHSXEESVSA-N 1 1 182.267 1.399 10 30 ADEEMO CC[C@@H](CC#N)[N@@H+](C)[C@@H]1CCOC1 134694785 1169190238 /nfs/dbraw/zinc/19/02/38/1169190238.db2.gz CCPNFNMDAVFBPN-VHSXEESVSA-N 1 1 182.267 1.399 10 30 ADEEMO C[C@H](CC#N)[NH2+]Cc1cc[nH]c1 134974931 1169191693 /nfs/dbraw/zinc/19/16/93/1169191693.db2.gz KPTCSBIYRXKNRR-MRVPVSSYSA-N 1 1 163.224 1.406 10 30 ADEEMO CC[C@H](CC#N)[N@H+](C)[C@@H]1CCOC1 134694805 1169191983 /nfs/dbraw/zinc/19/19/83/1169191983.db2.gz CCPNFNMDAVFBPN-NXEZZACHSA-N 1 1 182.267 1.399 10 30 ADEEMO CC[C@H](CC#N)[N@@H+](C)[C@@H]1CCOC1 134694805 1169191985 /nfs/dbraw/zinc/19/19/85/1169191985.db2.gz CCPNFNMDAVFBPN-NXEZZACHSA-N 1 1 182.267 1.399 10 30 ADEEMO C=CC[NH2+][C@H]1CCN(C)C(C)(C)C1 84447651 673975951 /nfs/dbraw/zinc/97/59/51/673975951.db2.gz NTARPFOFCWEPQN-JTQLQIEISA-N 1 1 182.311 1.635 10 30 ADEEMO C#C[C@](C)(CC)[NH2+]Cc1cnc(C)o1 700842341 673978193 /nfs/dbraw/zinc/97/81/93/673978193.db2.gz MREOEEGIMSBWAE-LLVKDONJSA-N 1 1 192.262 1.875 10 30 ADEEMO C#C[C@@](C)(CC)[NH2+]Cc1cnc(C)o1 700842344 673978373 /nfs/dbraw/zinc/97/83/73/673978373.db2.gz MREOEEGIMSBWAE-NSHDSACASA-N 1 1 192.262 1.875 10 30 ADEEMO C[C@@H](CF)[NH2+]CC#Cc1ccccc1 702602990 673980685 /nfs/dbraw/zinc/98/06/85/673980685.db2.gz IGPXSPKQFRMAMU-NSHDSACASA-N 1 1 191.249 1.986 10 30 ADEEMO C#CC[N@@H+](C)Cc1ccnc(C)c1 703117857 673980736 /nfs/dbraw/zinc/98/07/36/673980736.db2.gz FXNDHVCIKXJBEE-UHFFFAOYSA-N 1 1 174.247 1.455 10 30 ADEEMO C#CC[N@H+](C)Cc1ccnc(C)c1 703117857 673980740 /nfs/dbraw/zinc/98/07/40/673980740.db2.gz FXNDHVCIKXJBEE-UHFFFAOYSA-N 1 1 174.247 1.455 10 30 ADEEMO C#CC[N@@H+](C)Cc1cncc(Cl)c1 703035988 673981371 /nfs/dbraw/zinc/98/13/71/673981371.db2.gz NBFTUJSHBDIEIC-UHFFFAOYSA-N 1 1 194.665 1.800 10 30 ADEEMO C#CC[N@H+](C)Cc1cncc(Cl)c1 703035988 673981375 /nfs/dbraw/zinc/98/13/75/673981375.db2.gz NBFTUJSHBDIEIC-UHFFFAOYSA-N 1 1 194.665 1.800 10 30 ADEEMO COC1CC(C[N@@H+](C)[C@H](C)CC#N)C1 703398306 673983148 /nfs/dbraw/zinc/98/31/48/673983148.db2.gz OCVGSQAOTMJTJB-KPPDAEKUSA-N 1 1 196.294 1.645 10 30 ADEEMO C#CC[N@@H+]1CC[C@@H](CC=C)C1 703686988 673982909 /nfs/dbraw/zinc/98/29/09/673982909.db2.gz FVGBYHLLEXNTCU-SNVBAGLBSA-N 1 1 149.237 1.518 10 30 ADEEMO C#CC[N@@H+]1CC[C@H](CC=C)C1 703686986 673982924 /nfs/dbraw/zinc/98/29/24/673982924.db2.gz FVGBYHLLEXNTCU-JTQLQIEISA-N 1 1 149.237 1.518 10 30 ADEEMO COC1CC(C[N@@H+](C)[C@@H](C)CC#N)C1 703398312 673983156 /nfs/dbraw/zinc/98/31/56/673983156.db2.gz OCVGSQAOTMJTJB-WHXUTIOJSA-N 1 1 196.294 1.645 10 30 ADEEMO COC1CC(C[N@@H+](C)CCC#N)C1 703399509 673983203 /nfs/dbraw/zinc/98/32/03/673983203.db2.gz PLQBRGXCJDXPFP-UHFFFAOYSA-N 1 1 182.267 1.257 10 30 ADEEMO COC1CC(C[N@@H+](C)C[C@@H](C)C#N)C1 703394154 673983278 /nfs/dbraw/zinc/98/32/78/673983278.db2.gz BOOVMZNCSSHXRK-WHXUTIOJSA-N 1 1 196.294 1.503 10 30 ADEEMO C#CCC[N@@H+]1CC[C@@H](CC=C)C1 703691700 673983344 /nfs/dbraw/zinc/98/33/44/673983344.db2.gz XCZOGBJIZBJTPE-LLVKDONJSA-N 1 1 163.264 1.908 10 30 ADEEMO COC1CC(C[N@@H+](C)C[C@H](C)C#N)C1 703394152 673983494 /nfs/dbraw/zinc/98/34/94/673983494.db2.gz BOOVMZNCSSHXRK-KPPDAEKUSA-N 1 1 196.294 1.503 10 30 ADEEMO C#CCC[N@@H+]1CC[C@H](CC=C)C1 703691701 673983563 /nfs/dbraw/zinc/98/35/63/673983563.db2.gz XCZOGBJIZBJTPE-NSHDSACASA-N 1 1 163.264 1.908 10 30 ADEEMO CC[N@@H+](CCC#N)CC1CC(OC)C1 704214682 673983988 /nfs/dbraw/zinc/98/39/88/673983988.db2.gz DINZZXHLBWRRHF-UHFFFAOYSA-N 1 1 196.294 1.647 10 30 ADEEMO N#CCC1(C[N@H+]2CC[C@H]3C[C@H]32)CC1 707090617 673989943 /nfs/dbraw/zinc/98/99/43/673989943.db2.gz VUPNAYOYWZHPAZ-VHSXEESVSA-N 1 1 176.263 1.774 10 30 ADEEMO N#CCC1(C[N@H+]2CC[C@@H]3C[C@@H]32)CC1 707090618 673989998 /nfs/dbraw/zinc/98/99/98/673989998.db2.gz VUPNAYOYWZHPAZ-ZJUUUORDSA-N 1 1 176.263 1.774 10 30 ADEEMO C#CCCC[N@H+]1CCO[C@@H](C(C)C)C1 708878049 673991365 /nfs/dbraw/zinc/99/13/65/673991365.db2.gz GSENMKZCIIJGDZ-GFCCVEGCSA-N 1 1 195.306 1.757 10 30 ADEEMO C#CCCC[N@H+]1CCO[C@H](C(C)C)C1 708878051 673991487 /nfs/dbraw/zinc/99/14/87/673991487.db2.gz GSENMKZCIIJGDZ-LBPRGKRZSA-N 1 1 195.306 1.757 10 30 ADEEMO C[C@@H]1C[N@@H+](CCCCC#N)C[C@H]1CO 708688011 673991745 /nfs/dbraw/zinc/99/17/45/673991745.db2.gz YCSDZISCEGTWBH-MNOVXSKESA-N 1 1 196.294 1.240 10 30 ADEEMO C[C@@H]1C[N@H+]([C@H](C)CCC#N)C[C@H]1CO 708685645 673991810 /nfs/dbraw/zinc/99/18/10/673991810.db2.gz DLTRXWZVVOMJNB-MXWKQRLJSA-N 1 1 196.294 1.239 10 30 ADEEMO C[C@@H]1C[N@H+]([C@@H](C)CCC#N)C[C@H]1CO 708685648 673991906 /nfs/dbraw/zinc/99/19/06/673991906.db2.gz DLTRXWZVVOMJNB-VWYCJHECSA-N 1 1 196.294 1.239 10 30 ADEEMO C#CC[N@@H+]1CC[C@](C)(C(F)(F)F)C1 708926442 673992263 /nfs/dbraw/zinc/99/22/63/673992263.db2.gz LLRFXLHTNZRXNN-QMMMGPOBSA-N 1 1 191.196 1.894 10 30 ADEEMO C#CC[N@@H+]1CC[C@@](C)(C(F)(F)F)C1 708926437 673992362 /nfs/dbraw/zinc/99/23/62/673992362.db2.gz LLRFXLHTNZRXNN-MRVPVSSYSA-N 1 1 191.196 1.894 10 30 ADEEMO C#CCCC[N@H+]1CCC[C@H](C#C)C1 709550509 673993831 /nfs/dbraw/zinc/99/38/31/673993831.db2.gz IQGZZVKYOBSBBB-LBPRGKRZSA-N 1 1 175.275 1.745 10 30 ADEEMO C#CCCC[N@H+]1CCC[C@@H](C#C)C1 709550507 673993977 /nfs/dbraw/zinc/99/39/77/673993977.db2.gz IQGZZVKYOBSBBB-GFCCVEGCSA-N 1 1 175.275 1.745 10 30 ADEEMO C[C@H](CC#N)[NH2+]CCc1ccns1 709981412 673995395 /nfs/dbraw/zinc/99/53/95/673995395.db2.gz CLTVQEKDPFYUHJ-MRVPVSSYSA-N 1 1 195.291 1.577 10 30 ADEEMO C#CCCC[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 710016290 673995405 /nfs/dbraw/zinc/99/54/05/673995405.db2.gz NDUAMOZQWXLEAJ-NEPJUHHUSA-N 1 1 195.306 1.899 10 30 ADEEMO C[C@@H](CC#N)[NH2+]CCc1ccns1 709981413 673995499 /nfs/dbraw/zinc/99/54/99/673995499.db2.gz CLTVQEKDPFYUHJ-QMMMGPOBSA-N 1 1 195.291 1.577 10 30 ADEEMO C#CC[N@H+]1CC[C@H](c2nccs2)C1 710766765 673996148 /nfs/dbraw/zinc/99/61/48/673996148.db2.gz NKYVDXQFCBRSQS-VIFPVBQESA-N 1 1 192.287 1.566 10 30 ADEEMO C#CC[N@H+]1CC[C@@H](c2nccs2)C1 710766763 673996957 /nfs/dbraw/zinc/99/69/57/673996957.db2.gz NKYVDXQFCBRSQS-SECBINFHSA-N 1 1 192.287 1.566 10 30 ADEEMO C#CC[N@@H+]1CCC[C@@H](CF)C1 711501889 674000020 /nfs/dbraw/zinc/00/00/20/674000020.db2.gz GWGNNDKEEKRDLW-VIFPVBQESA-N 1 1 155.216 1.301 10 30 ADEEMO C#CC[N@@H+]1CCC[C@H](CF)C1 711501887 674000335 /nfs/dbraw/zinc/00/03/35/674000335.db2.gz GWGNNDKEEKRDLW-SECBINFHSA-N 1 1 155.216 1.301 10 30 ADEEMO C#CCC[N@@H+]1C[C@H]2CSC[C@H]2C1 711629834 674001749 /nfs/dbraw/zinc/00/17/49/674001749.db2.gz OITVVKJKJXQQIV-AOOOYVTPSA-N 1 1 181.304 1.305 10 30 ADEEMO C=CC[C@H](C)[N@@H+](CC)CCCO 715024304 674005630 /nfs/dbraw/zinc/00/56/30/674005630.db2.gz MPCYMMAXAGQLHX-JTQLQIEISA-N 1 1 171.284 1.655 10 30 ADEEMO C#CCCC[N@@H+]1C[C@H]2CSC[C@H]2C1 711630269 674002105 /nfs/dbraw/zinc/00/21/05/674002105.db2.gz SKGLKNRILVOGBL-PHIMTYICSA-N 1 1 195.331 1.695 10 30 ADEEMO C[C@@]1(C#N)CC[N@H+](CCOC2CC2)C1 711745012 674003283 /nfs/dbraw/zinc/00/32/83/674003283.db2.gz FUGJWZKLDUHUNZ-NSHDSACASA-N 1 1 194.278 1.401 10 30 ADEEMO C[C@@]1(C#N)CC[N@@H+](CCOC2CC2)C1 711745012 674003284 /nfs/dbraw/zinc/00/32/84/674003284.db2.gz FUGJWZKLDUHUNZ-NSHDSACASA-N 1 1 194.278 1.401 10 30 ADEEMO C[C@]1(C#N)CC[N@H+](CCOC2CC2)C1 711745010 674003537 /nfs/dbraw/zinc/00/35/37/674003537.db2.gz FUGJWZKLDUHUNZ-LLVKDONJSA-N 1 1 194.278 1.401 10 30 ADEEMO C[C@]1(C#N)CC[N@@H+](CCOC2CC2)C1 711745010 674003539 /nfs/dbraw/zinc/00/35/39/674003539.db2.gz FUGJWZKLDUHUNZ-LLVKDONJSA-N 1 1 194.278 1.401 10 30 ADEEMO C#C[C@H](C)[NH2+]Cc1nccn1C1CC1 711775302 674003919 /nfs/dbraw/zinc/00/39/19/674003919.db2.gz UFIVHTMCBWPPEG-VIFPVBQESA-N 1 1 189.262 1.329 10 30 ADEEMO C#C[C@@H](C)[NH2+]Cc1nccn1C1CC1 711775301 674004434 /nfs/dbraw/zinc/00/44/34/674004434.db2.gz UFIVHTMCBWPPEG-SECBINFHSA-N 1 1 189.262 1.329 10 30 ADEEMO COC[C@@H](C[N@@H+](C)CCC#N)C(C)C 721733632 674006104 /nfs/dbraw/zinc/00/61/04/674006104.db2.gz KBHCYPDIHFMDIE-LLVKDONJSA-N 1 1 198.310 1.750 10 30 ADEEMO C=CCCC[N@H+](C)CCC1OCCO1 767794419 674008285 /nfs/dbraw/zinc/00/82/85/674008285.db2.gz SFBXYDXOTBFLTP-UHFFFAOYSA-N 1 1 199.294 1.647 10 30 ADEEMO C#CC[N@H+](CC)CC(OCC)OCC 767791302 674008295 /nfs/dbraw/zinc/00/82/95/674008295.db2.gz DHPZPECTIBTWFA-UHFFFAOYSA-N 1 1 199.294 1.341 10 30 ADEEMO C#C[C@@H](C)[N@H+](C)Cc1ccc(F)cn1 769952872 674008539 /nfs/dbraw/zinc/00/85/39/674008539.db2.gz GHEPDWJXVJOEFZ-SECBINFHSA-N 1 1 192.237 1.674 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(F)cn1 769952872 674008540 /nfs/dbraw/zinc/00/85/40/674008540.db2.gz GHEPDWJXVJOEFZ-SECBINFHSA-N 1 1 192.237 1.674 10 30 ADEEMO C#C[C@H](C)[N@H+](C)Cc1ccc(F)cn1 769952894 674008548 /nfs/dbraw/zinc/00/85/48/674008548.db2.gz GHEPDWJXVJOEFZ-VIFPVBQESA-N 1 1 192.237 1.674 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)Cc1ccc(F)cn1 769952894 674008549 /nfs/dbraw/zinc/00/85/49/674008549.db2.gz GHEPDWJXVJOEFZ-VIFPVBQESA-N 1 1 192.237 1.674 10 30 ADEEMO CC(=O)CC[N@@H+]1CCC[C@@](C)(C#N)C1 784453868 674009587 /nfs/dbraw/zinc/00/95/87/674009587.db2.gz JWXLEHKRIURQNK-NSHDSACASA-N 1 1 194.278 1.591 10 30 ADEEMO CC(=O)CC[N@H+]1CCC[C@@](C)(C#N)C1 784453868 674009588 /nfs/dbraw/zinc/00/95/88/674009588.db2.gz JWXLEHKRIURQNK-NSHDSACASA-N 1 1 194.278 1.591 10 30 ADEEMO CC(=O)CC[N@@H+]1CCC[C@](C)(C#N)C1 784453866 674009761 /nfs/dbraw/zinc/00/97/61/674009761.db2.gz JWXLEHKRIURQNK-LLVKDONJSA-N 1 1 194.278 1.591 10 30 ADEEMO CC(=O)CC[N@H+]1CCC[C@](C)(C#N)C1 784453866 674009763 /nfs/dbraw/zinc/00/97/63/674009763.db2.gz JWXLEHKRIURQNK-LLVKDONJSA-N 1 1 194.278 1.591 10 30 ADEEMO C=CCC[N@@H+]1CCNCCC1(C)C 712576575 674012026 /nfs/dbraw/zinc/01/20/26/674012026.db2.gz IXLZMLCXSIRHIB-UHFFFAOYSA-N 1 1 182.311 1.636 10 30 ADEEMO C=CC[N@@H+](C)C1(C[NH3+])CCCCC1 713344392 674013081 /nfs/dbraw/zinc/01/30/81/674013081.db2.gz LRTAIJUCOPEPES-UHFFFAOYSA-N 1 1 182.311 1.766 10 30 ADEEMO C=CC[N@H+](C)C1(C[NH3+])CCCCC1 713344392 674013083 /nfs/dbraw/zinc/01/30/83/674013083.db2.gz LRTAIJUCOPEPES-UHFFFAOYSA-N 1 1 182.311 1.766 10 30 ADEEMO C=CC[N@@H+](C)C1(CN)CCCCC1 713344392 674013086 /nfs/dbraw/zinc/01/30/86/674013086.db2.gz LRTAIJUCOPEPES-UHFFFAOYSA-N 1 1 182.311 1.766 10 30 ADEEMO C=CC[N@H+](C)C1(CN)CCCCC1 713344392 674013089 /nfs/dbraw/zinc/01/30/89/674013089.db2.gz LRTAIJUCOPEPES-UHFFFAOYSA-N 1 1 182.311 1.766 10 30 ADEEMO C=CCN1CC[NH2+]CCC12CCC2 713152513 674013295 /nfs/dbraw/zinc/01/32/95/674013295.db2.gz WACFFNWQWSBZRM-UHFFFAOYSA-N 1 1 180.295 1.390 10 30 ADEEMO C=CC[C@H](C)[N@@H+]1C[C@H](C)[C@H](N)C1 714996563 674018277 /nfs/dbraw/zinc/01/82/77/674018277.db2.gz RDHRAOYTOXQQGX-LPEHRKFASA-N 1 1 168.284 1.230 10 30 ADEEMO C=CC[C@H](C)[N@H+]1C[C@H](C)[C@H](N)C1 714996563 674018278 /nfs/dbraw/zinc/01/82/78/674018278.db2.gz RDHRAOYTOXQQGX-LPEHRKFASA-N 1 1 168.284 1.230 10 30 ADEEMO C=CC[C@H](C)[N@H+](C)C[C@H](C)N 714997371 674018909 /nfs/dbraw/zinc/01/89/09/674018909.db2.gz ZDFXMANMJJCQHG-IUCAKERBSA-N 1 1 156.273 1.230 10 30 ADEEMO C=CC[C@H](C)N(C)C[C@H](C)[NH3+] 714997371 674018910 /nfs/dbraw/zinc/01/89/10/674018910.db2.gz ZDFXMANMJJCQHG-IUCAKERBSA-N 1 1 156.273 1.230 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 715053739 674019220 /nfs/dbraw/zinc/01/92/20/674019220.db2.gz OSPIQZDPXLIPII-QJPTWQEYSA-N 1 1 194.322 1.635 10 30 ADEEMO C=CC[C@H](C)N1CC[C@H]2[NH2+]CC[C@@H]2C1 715053739 674019221 /nfs/dbraw/zinc/01/92/21/674019221.db2.gz OSPIQZDPXLIPII-QJPTWQEYSA-N 1 1 194.322 1.635 10 30 ADEEMO C=CC[C@H](C)[N@H+]1C[C@H](C)[C@@H](O)C1 715028657 674019223 /nfs/dbraw/zinc/01/92/23/674019223.db2.gz LETRCNLXRZIJJW-GUBZILKMSA-N 1 1 169.268 1.264 10 30 ADEEMO C=CC[C@@H](C)[N@H+](C)C[C@@H](C)N 714997373 674018226 /nfs/dbraw/zinc/01/82/26/674018226.db2.gz ZDFXMANMJJCQHG-RKDXNWHRSA-N 1 1 156.273 1.230 10 30 ADEEMO C=CC[C@@H](C)N(C)C[C@@H](C)[NH3+] 714997373 674018227 /nfs/dbraw/zinc/01/82/27/674018227.db2.gz ZDFXMANMJJCQHG-RKDXNWHRSA-N 1 1 156.273 1.230 10 30 ADEEMO C=CC[C@H](C)N1C[C@H](C)[NH2+][C@@H](C)C1 714996270 674018292 /nfs/dbraw/zinc/01/82/92/674018292.db2.gz OZDFLIGOUBKYCP-DCAQKATOSA-N 1 1 182.311 1.633 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CCCO[C@H](CN)C1 715002863 674018300 /nfs/dbraw/zinc/01/83/00/674018300.db2.gz UTVMONQOBNKNRO-GHMZBOCLSA-N 1 1 198.310 1.001 10 30 ADEEMO C=CC[C@@H](C)[N@H+](C)C[C@H](C)N 714997370 674018341 /nfs/dbraw/zinc/01/83/41/674018341.db2.gz ZDFXMANMJJCQHG-DTWKUNHWSA-N 1 1 156.273 1.230 10 30 ADEEMO C=CC[C@@H](C)N(C)C[C@H](C)[NH3+] 714997370 674018343 /nfs/dbraw/zinc/01/83/43/674018343.db2.gz ZDFXMANMJJCQHG-DTWKUNHWSA-N 1 1 156.273 1.230 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CC[C@@H](CCO)C1 715026399 674019229 /nfs/dbraw/zinc/01/92/29/674019229.db2.gz ZPSWXGMDJJHADN-MNOVXSKESA-N 1 1 183.295 1.655 10 30 ADEEMO C=CC[C@H](C)[N@H+]1C[C@H](C)N[C@H](C)C1 714996269 674018391 /nfs/dbraw/zinc/01/83/91/674018391.db2.gz OZDFLIGOUBKYCP-AXFHLTTASA-N 1 1 182.311 1.633 10 30 ADEEMO C=CC[C@H](C)N1C[C@H](C)[NH2+][C@H](C)C1 714996269 674018393 /nfs/dbraw/zinc/01/83/93/674018393.db2.gz OZDFLIGOUBKYCP-AXFHLTTASA-N 1 1 182.311 1.633 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CCCO[C@@H](CN)C1 715002866 674018408 /nfs/dbraw/zinc/01/84/08/674018408.db2.gz UTVMONQOBNKNRO-MNOVXSKESA-N 1 1 198.310 1.001 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@H]([C@@H](C)O)C1 715026285 674019238 /nfs/dbraw/zinc/01/92/38/674019238.db2.gz WRXOCFJAJIPUKY-AXFHLTTASA-N 1 1 183.295 1.654 10 30 ADEEMO C=CC[C@H](C)[N@@H+]1CC[C@H](N)[C@@H]1C 714996613 674018441 /nfs/dbraw/zinc/01/84/41/674018441.db2.gz RYNNOCLVWKMDMK-GUBZILKMSA-N 1 1 168.284 1.373 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@H](N)[C@@H]1C 714996613 674018442 /nfs/dbraw/zinc/01/84/42/674018442.db2.gz RYNNOCLVWKMDMK-GUBZILKMSA-N 1 1 168.284 1.373 10 30 ADEEMO C=CC[C@@H](C)[N@@H+](CC)CCN 714995766 674018450 /nfs/dbraw/zinc/01/84/50/674018450.db2.gz LGPZJZZNCJTZLK-SECBINFHSA-N 1 1 156.273 1.232 10 30 ADEEMO C=CC[C@@H](C)N(CC)CC[NH3+] 714995766 674018451 /nfs/dbraw/zinc/01/84/51/674018451.db2.gz LGPZJZZNCJTZLK-SECBINFHSA-N 1 1 156.273 1.232 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@@](C)(O)C1 715023845 674019240 /nfs/dbraw/zinc/01/92/40/674019240.db2.gz LWBWDWALUKKOMZ-VHSXEESVSA-N 1 1 169.268 1.408 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CCCO[C@H](CN)C1 715002871 674018456 /nfs/dbraw/zinc/01/84/56/674018456.db2.gz UTVMONQOBNKNRO-WDEREUQCSA-N 1 1 198.310 1.001 10 30 ADEEMO C=CC[C@H](C)[N@@H+]1CC[C@@](C)(CN)C1 714996707 674018464 /nfs/dbraw/zinc/01/84/64/674018464.db2.gz TUTWBGUHMMKHOG-QWRGUYRKSA-N 1 1 182.311 1.622 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@@](C)(CN)C1 714996707 674018466 /nfs/dbraw/zinc/01/84/66/674018466.db2.gz TUTWBGUHMMKHOG-QWRGUYRKSA-N 1 1 182.311 1.622 10 30 ADEEMO C=CC[C@H](C)[N@@H+]1CC[C@](C)(CN)C1 714996708 674018503 /nfs/dbraw/zinc/01/85/03/674018503.db2.gz TUTWBGUHMMKHOG-WDEREUQCSA-N 1 1 182.311 1.622 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@](C)(CN)C1 714996708 674018505 /nfs/dbraw/zinc/01/85/05/674018505.db2.gz TUTWBGUHMMKHOG-WDEREUQCSA-N 1 1 182.311 1.622 10 30 ADEEMO C=CC[C@H](C)[N@@H+](C)CC(C)(C)O 715016873 674018511 /nfs/dbraw/zinc/01/85/11/674018511.db2.gz BCWIDYRKTGDCAX-VIFPVBQESA-N 1 1 171.284 1.654 10 30 ADEEMO C=CC[C@@H](C)[N@@H+](C)CC(C)(C)O 715016871 674018528 /nfs/dbraw/zinc/01/85/28/674018528.db2.gz BCWIDYRKTGDCAX-SECBINFHSA-N 1 1 171.284 1.654 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CCC[C@@H](N)C1 714994712 674018532 /nfs/dbraw/zinc/01/85/32/674018532.db2.gz CGDYNZWXIJTODJ-NXEZZACHSA-N 1 1 168.284 1.374 10 30 ADEEMO C=CC[C@@H](C)N1CCC[C@@H]([NH3+])C1 714994712 674018533 /nfs/dbraw/zinc/01/85/33/674018533.db2.gz CGDYNZWXIJTODJ-NXEZZACHSA-N 1 1 168.284 1.374 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 715051384 674019255 /nfs/dbraw/zinc/01/92/55/674019255.db2.gz BYYFBTOUTAOFHL-WOPDTQHZSA-N 1 1 196.338 1.868 10 30 ADEEMO C=CC[C@H](C)[N@H+](C)C[C@@H](C)N 714997368 674018760 /nfs/dbraw/zinc/01/87/60/674018760.db2.gz ZDFXMANMJJCQHG-BDAKNGLRSA-N 1 1 156.273 1.230 10 30 ADEEMO C=CC[C@H](C)N(C)C[C@@H](C)[NH3+] 714997368 674018761 /nfs/dbraw/zinc/01/87/61/674018761.db2.gz ZDFXMANMJJCQHG-BDAKNGLRSA-N 1 1 156.273 1.230 10 30 ADEEMO C=CC[C@@H](C)[N@@H+]1CC[C@@](C)(CN)C1 714996705 674018664 /nfs/dbraw/zinc/01/86/64/674018664.db2.gz TUTWBGUHMMKHOG-MNOVXSKESA-N 1 1 182.311 1.622 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CC[C@@](C)(CN)C1 714996705 674018665 /nfs/dbraw/zinc/01/86/65/674018665.db2.gz TUTWBGUHMMKHOG-MNOVXSKESA-N 1 1 182.311 1.622 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CCCO[C@@H](CN)C1 715002867 674018685 /nfs/dbraw/zinc/01/86/85/674018685.db2.gz UTVMONQOBNKNRO-QWRGUYRKSA-N 1 1 198.310 1.001 10 30 ADEEMO C=CC[C@H](C)[N@@H+]1C[C@H](C)[C@@H](N)C1 714996558 674018778 /nfs/dbraw/zinc/01/87/78/674018778.db2.gz RDHRAOYTOXQQGX-GUBZILKMSA-N 1 1 168.284 1.230 10 30 ADEEMO C=CC[C@H](C)[N@H+]1C[C@H](C)[C@@H](N)C1 714996558 674018779 /nfs/dbraw/zinc/01/87/79/674018779.db2.gz RDHRAOYTOXQQGX-GUBZILKMSA-N 1 1 168.284 1.230 10 30 ADEEMO C=CC[C@@H](C)[N@@H+]1CC[C@](C)(CN)C1 714996702 674018819 /nfs/dbraw/zinc/01/88/19/674018819.db2.gz TUTWBGUHMMKHOG-GHMZBOCLSA-N 1 1 182.311 1.622 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CC[C@](C)(CN)C1 714996702 674018820 /nfs/dbraw/zinc/01/88/20/674018820.db2.gz TUTWBGUHMMKHOG-GHMZBOCLSA-N 1 1 182.311 1.622 10 30 ADEEMO C=CC[C@H](C)[N@H+]1C[C@@H](N)[C@H](C)C1 714996560 674018932 /nfs/dbraw/zinc/01/89/32/674018932.db2.gz RDHRAOYTOXQQGX-KXUCPTDWSA-N 1 1 168.284 1.230 10 30 ADEEMO C=CC[C@H](C)[N@@H+]1C[C@@H](N)[C@H](C)C1 714996560 674018933 /nfs/dbraw/zinc/01/89/33/674018933.db2.gz RDHRAOYTOXQQGX-KXUCPTDWSA-N 1 1 168.284 1.230 10 30 ADEEMO C=CC[C@H](C)[N@@H+]1C[C@@H](C)[C@@H](N)C1 714996564 674018954 /nfs/dbraw/zinc/01/89/54/674018954.db2.gz RDHRAOYTOXQQGX-UTLUCORTSA-N 1 1 168.284 1.230 10 30 ADEEMO C=CC[C@H](C)[N@H+]1C[C@@H](C)[C@@H](N)C1 714996564 674018955 /nfs/dbraw/zinc/01/89/55/674018955.db2.gz RDHRAOYTOXQQGX-UTLUCORTSA-N 1 1 168.284 1.230 10 30 ADEEMO C=CC[C@H](C)[N@@H+](CC)CCN 714995767 674018992 /nfs/dbraw/zinc/01/89/92/674018992.db2.gz LGPZJZZNCJTZLK-VIFPVBQESA-N 1 1 156.273 1.232 10 30 ADEEMO C=CC[C@H](C)N(CC)CC[NH3+] 714995767 674018994 /nfs/dbraw/zinc/01/89/94/674018994.db2.gz LGPZJZZNCJTZLK-VIFPVBQESA-N 1 1 156.273 1.232 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CCC[C@@H](N)C1 714994713 674019009 /nfs/dbraw/zinc/01/90/09/674019009.db2.gz CGDYNZWXIJTODJ-VHSXEESVSA-N 1 1 168.284 1.374 10 30 ADEEMO C=CC[C@H](C)N1CCC[C@@H]([NH3+])C1 714994713 674019010 /nfs/dbraw/zinc/01/90/10/674019010.db2.gz CGDYNZWXIJTODJ-VHSXEESVSA-N 1 1 168.284 1.374 10 30 ADEEMO C=CC[C@H](C)[N@H+]1C[C@@H](C)[C@@](C)(CO)C1 715047349 674019276 /nfs/dbraw/zinc/01/92/76/674019276.db2.gz SOZFYQCZYHACOF-GRYCIOLGSA-N 1 1 197.322 1.901 10 30 ADEEMO C=CC[C@H](C)[N@H+]1C[C@H](C)[C@H](O)C1 715028659 674019483 /nfs/dbraw/zinc/01/94/83/674019483.db2.gz LETRCNLXRZIJJW-LPEHRKFASA-N 1 1 169.268 1.264 10 30 ADEEMO C=CC[C@H](C)[N@@H+]1C[C@@H](O)[C@@H](CC)C1 715045464 674019200 /nfs/dbraw/zinc/01/92/00/674019200.db2.gz GPADTCMMBHXGEQ-GARJFASQSA-N 1 1 183.295 1.654 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CC[C@H](CO)C1 715058800 674019202 /nfs/dbraw/zinc/01/92/02/674019202.db2.gz UESMSNKMYFUVKN-ZJUUUORDSA-N 1 1 169.268 1.265 10 30 ADEEMO C=CC[C@@H](C)[N@H+](C)CC[C@H](C)O 715023885 674019204 /nfs/dbraw/zinc/01/92/04/674019204.db2.gz LZDTYMXLDNWXTO-ZJUUUORDSA-N 1 1 171.284 1.654 10 30 ADEEMO C=CC[C@H](C)[N@H+]1C[C@H](CC)[C@@H](O)C1 715045462 674019210 /nfs/dbraw/zinc/01/92/10/674019210.db2.gz GPADTCMMBHXGEQ-DCAQKATOSA-N 1 1 183.295 1.654 10 30 ADEEMO C=CC[C@@H](C)[N@@H+](C)CCCO 715058647 674019301 /nfs/dbraw/zinc/01/93/01/674019301.db2.gz RFZPTSHVAUXINZ-SECBINFHSA-N 1 1 157.257 1.265 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1C[C@H](C)[C@@H](O)[C@H](C)C1 715046763 674019344 /nfs/dbraw/zinc/01/93/44/674019344.db2.gz PPPGMUCHVUFXCI-KXNHARMFSA-N 1 1 197.322 1.900 10 30 ADEEMO C=CC[C@H](C)[N@H+]1C[C@@H](C)C[C@H](O)C1 715046768 674019354 /nfs/dbraw/zinc/01/93/54/674019354.db2.gz PVAFFWQRRJNQNH-DCAQKATOSA-N 1 1 183.295 1.654 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@H](CCO)C1 715026401 674019358 /nfs/dbraw/zinc/01/93/58/674019358.db2.gz ZPSWXGMDJJHADN-WDEREUQCSA-N 1 1 183.295 1.655 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@](C)(O)C1 715023841 674019364 /nfs/dbraw/zinc/01/93/64/674019364.db2.gz LWBWDWALUKKOMZ-UWVGGRQHSA-N 1 1 169.268 1.408 10 30 ADEEMO C=CC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](O)CC[C@H]2C1 715046459 674019368 /nfs/dbraw/zinc/01/93/68/674019368.db2.gz NKPFFZHNLLBHQE-KXNHARMFSA-N 1 1 195.306 1.654 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CO)C1 715044898 674019407 /nfs/dbraw/zinc/01/94/07/674019407.db2.gz CEBXBOMGIJYPSM-MXWKQRLJSA-N 1 1 183.295 1.511 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 715053742 674019551 /nfs/dbraw/zinc/01/95/51/674019551.db2.gz OSPIQZDPXLIPII-SDDRHHMPSA-N 1 1 194.322 1.635 10 30 ADEEMO C=CC[C@H](C)[N@H+]1C[C@H](C)C[C@@H](CO)C1 715047292 674019507 /nfs/dbraw/zinc/01/95/07/674019507.db2.gz SFYMOPKGSDAVLE-GRYCIOLGSA-N 1 1 197.322 1.901 10 30 ADEEMO C=CC[C@H](C)[N@H+](C)CC[C@H](C)O 715023876 674019511 /nfs/dbraw/zinc/01/95/11/674019511.db2.gz LZDTYMXLDNWXTO-UWVGGRQHSA-N 1 1 171.284 1.654 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@@H](C)[C@H](CO)C1 715045115 674019516 /nfs/dbraw/zinc/01/95/16/674019516.db2.gz CXWHQFWFHWXYNQ-WOPDTQHZSA-N 1 1 197.322 1.901 10 30 ADEEMO C=CC[C@H](C)[N@@H+](C)CCCO 715058648 674019523 /nfs/dbraw/zinc/01/95/23/674019523.db2.gz RFZPTSHVAUXINZ-VIFPVBQESA-N 1 1 157.257 1.265 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](CO)C1 715045108 674019528 /nfs/dbraw/zinc/01/95/28/674019528.db2.gz CXWHQFWFHWXYNQ-GRYCIOLGSA-N 1 1 197.322 1.901 10 30 ADEEMO C=CC[C@H](C)[N@H+]1C[C@@H](C)C[C@H](CO)C1 715047296 674019537 /nfs/dbraw/zinc/01/95/37/674019537.db2.gz SFYMOPKGSDAVLE-SRVKXCTJSA-N 1 1 197.322 1.901 10 30 ADEEMO C=CC[C@H](C)[N@@H+]1C[C@@H](O)C[C@@H](C)C1 715046772 674019546 /nfs/dbraw/zinc/01/95/46/674019546.db2.gz PVAFFWQRRJNQNH-VWYCJHECSA-N 1 1 183.295 1.654 10 30 ADEEMO C=CC[C@H](C)N1CC[C@H]2[NH2+]CC[C@H]2C1 715053742 674019553 /nfs/dbraw/zinc/01/95/53/674019553.db2.gz OSPIQZDPXLIPII-SDDRHHMPSA-N 1 1 194.322 1.635 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@@H](CO)C1 715058799 674019556 /nfs/dbraw/zinc/01/95/56/674019556.db2.gz UESMSNKMYFUVKN-VHSXEESVSA-N 1 1 169.268 1.265 10 30 ADEEMO C=CC[C@H](C)[N@H+]1C[C@H](C)[C@@H](O)[C@H](C)C1 715046765 674019579 /nfs/dbraw/zinc/01/95/79/674019579.db2.gz PPPGMUCHVUFXCI-WHOHXGKFSA-N 1 1 197.322 1.900 10 30 ADEEMO C=CC[C@H](C)[N@@H+]1C[C@H](O)[C@H](CC)C1 715045461 674019592 /nfs/dbraw/zinc/01/95/92/674019592.db2.gz GPADTCMMBHXGEQ-AXFHLTTASA-N 1 1 183.295 1.654 10 30 ADEEMO C=CC[C@@H](C)[N@H+](C)CC[C@@H](C)O 715023871 674019604 /nfs/dbraw/zinc/01/96/04/674019604.db2.gz LZDTYMXLDNWXTO-NXEZZACHSA-N 1 1 171.284 1.654 10 30 ADEEMO C=CC[C@H](C)[N@H+]1C[C@H](C)[C@@](C)(CO)C1 715047352 674019613 /nfs/dbraw/zinc/01/96/13/674019613.db2.gz SOZFYQCZYHACOF-SDDRHHMPSA-N 1 1 197.322 1.901 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 715051383 674019621 /nfs/dbraw/zinc/01/96/21/674019621.db2.gz BYYFBTOUTAOFHL-SRVKXCTJSA-N 1 1 196.338 1.868 10 30 ADEEMO C=CC[C@H](C)[N@H+]1C[C@H](C)[C@](C)(CO)C1 715047355 674019626 /nfs/dbraw/zinc/01/96/26/674019626.db2.gz SOZFYQCZYHACOF-SRVKXCTJSA-N 1 1 197.322 1.901 10 30 ADEEMO C=CC[C@@H](C)[N@@H+](C)CC(C)(C)N 715051631 674019643 /nfs/dbraw/zinc/01/96/43/674019643.db2.gz DOKXTYKBKRUCKP-SECBINFHSA-N 1 1 170.300 1.620 10 30 ADEEMO C=CC[C@@H](C)N(C)CC(C)(C)[NH3+] 715051631 674019645 /nfs/dbraw/zinc/01/96/45/674019645.db2.gz DOKXTYKBKRUCKP-SECBINFHSA-N 1 1 170.300 1.620 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CC[C@](C)(O)C1 715023852 674019664 /nfs/dbraw/zinc/01/96/64/674019664.db2.gz LWBWDWALUKKOMZ-ZJUUUORDSA-N 1 1 169.268 1.408 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CC[C@@](C)(O)C1 715023837 674019671 /nfs/dbraw/zinc/01/96/71/674019671.db2.gz LWBWDWALUKKOMZ-NXEZZACHSA-N 1 1 169.268 1.408 10 30 ADEEMO C=CC[C@H](C)[N@@H+](C)C[C@H]1C[C@@H](O)C1 715042540 674019686 /nfs/dbraw/zinc/01/96/86/674019686.db2.gz BCYLKWABMHVDSP-GARJFASQSA-N 1 1 183.295 1.654 10 30 ADEEMO C=CC[C@@H](C)[N@@H+](C)CCCCO 715043978 674019704 /nfs/dbraw/zinc/01/97/04/674019704.db2.gz RFLAWPLAWHSNLG-SNVBAGLBSA-N 1 1 171.284 1.655 10 30 ADEEMO C=CC[C@@H](C)[N@@H+](CCO)CC1CC1 715058422 674019709 /nfs/dbraw/zinc/01/97/09/674019709.db2.gz PQZUKPDELPXUGH-SNVBAGLBSA-N 1 1 183.295 1.655 10 30 ADEEMO C=CC[C@@H](C)[N@@H+](CC)CCCO 715024305 674019726 /nfs/dbraw/zinc/01/97/26/674019726.db2.gz MPCYMMAXAGQLHX-SNVBAGLBSA-N 1 1 171.284 1.655 10 30 ADEEMO C=CC[C@H](C)[N@@H+](C)CC(C)(C)C[NH3+] 715055178 674019729 /nfs/dbraw/zinc/01/97/29/674019729.db2.gz VFCOCKUSSDQWOT-JTQLQIEISA-N 1 1 184.327 1.868 10 30 ADEEMO C=CC[C@H](C)[N@H+](C)CC(C)(C)CN 715055178 674019730 /nfs/dbraw/zinc/01/97/30/674019730.db2.gz VFCOCKUSSDQWOT-JTQLQIEISA-N 1 1 184.327 1.868 10 30 ADEEMO C=CC[C@H](C)[N@@H+](C)CC(C)(C)CN 715055178 674019731 /nfs/dbraw/zinc/01/97/31/674019731.db2.gz VFCOCKUSSDQWOT-JTQLQIEISA-N 1 1 184.327 1.868 10 30 ADEEMO C=CC[C@H](C)[N@H+]1C[C@@H](C)C[C@@H](O)C1 715046769 674019733 /nfs/dbraw/zinc/01/97/33/674019733.db2.gz PVAFFWQRRJNQNH-GARJFASQSA-N 1 1 183.295 1.654 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@H](C)[C@H](CO)C1 715045112 674019735 /nfs/dbraw/zinc/01/97/35/674019735.db2.gz CXWHQFWFHWXYNQ-SRVKXCTJSA-N 1 1 197.322 1.901 10 30 ADEEMO C=CC[C@H](C)[N@H+]1C[C@@H](C)C[C@@H](CO)C1 715047293 674019742 /nfs/dbraw/zinc/01/97/42/674019742.db2.gz SFYMOPKGSDAVLE-SDDRHHMPSA-N 1 1 197.322 1.901 10 30 ADEEMO C=CC[C@H](C)[N@H+]1C[C@H](C)C[C@@H](O)C1 715046771 674019755 /nfs/dbraw/zinc/01/97/55/674019755.db2.gz PVAFFWQRRJNQNH-OUAUKWLOSA-N 1 1 183.295 1.654 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@@H](CCO)C1 715026400 674019763 /nfs/dbraw/zinc/01/97/63/674019763.db2.gz ZPSWXGMDJJHADN-QWRGUYRKSA-N 1 1 183.295 1.655 10 30 ADEEMO C=CC[C@H](C)[N@@H+](C)CCCCO 715043977 674019765 /nfs/dbraw/zinc/01/97/65/674019765.db2.gz RFLAWPLAWHSNLG-JTQLQIEISA-N 1 1 171.284 1.655 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 715051381 674019772 /nfs/dbraw/zinc/01/97/72/674019772.db2.gz BYYFBTOUTAOFHL-SDDRHHMPSA-N 1 1 196.338 1.868 10 30 ADEEMO C=CC[C@H](C)[N@@H+]1C[C@@H](CO)C[C@@H](C)C1 715047299 674019778 /nfs/dbraw/zinc/01/97/78/674019778.db2.gz SFYMOPKGSDAVLE-WOPDTQHZSA-N 1 1 197.322 1.901 10 30 ADEEMO C=CC[C@H](C)[N@H+](C)CC[C@@H](C)O 715023881 674019781 /nfs/dbraw/zinc/01/97/81/674019781.db2.gz LZDTYMXLDNWXTO-VHSXEESVSA-N 1 1 171.284 1.654 10 30 ADEEMO C=CC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](C)C1 715028658 674019790 /nfs/dbraw/zinc/01/97/90/674019790.db2.gz LETRCNLXRZIJJW-KXUCPTDWSA-N 1 1 169.268 1.264 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 715053747 674019799 /nfs/dbraw/zinc/01/97/99/674019799.db2.gz OSPIQZDPXLIPII-TUAOUCFPSA-N 1 1 194.322 1.635 10 30 ADEEMO C=CC[C@H](C)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 715053747 674019800 /nfs/dbraw/zinc/01/98/00/674019800.db2.gz OSPIQZDPXLIPII-TUAOUCFPSA-N 1 1 194.322 1.635 10 30 ADEEMO C=CC[C@H](C)[N@@H+](C)CC(C)(C)N 715051634 674019819 /nfs/dbraw/zinc/01/98/19/674019819.db2.gz DOKXTYKBKRUCKP-VIFPVBQESA-N 1 1 170.300 1.620 10 30 ADEEMO C=CC[C@H](C)N(C)CC(C)(C)[NH3+] 715051634 674019820 /nfs/dbraw/zinc/01/98/20/674019820.db2.gz DOKXTYKBKRUCKP-VIFPVBQESA-N 1 1 170.300 1.620 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1C[C@@H](C)C[C@@H](O)C1 715046770 674019837 /nfs/dbraw/zinc/01/98/37/674019837.db2.gz PVAFFWQRRJNQNH-HBNTYKKESA-N 1 1 183.295 1.654 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 715053744 674019858 /nfs/dbraw/zinc/01/98/58/674019858.db2.gz OSPIQZDPXLIPII-SRVKXCTJSA-N 1 1 194.322 1.635 10 30 ADEEMO C=CC[C@H](C)N1CC[C@@H]2[NH2+]CC[C@H]2C1 715053744 674019859 /nfs/dbraw/zinc/01/98/59/674019859.db2.gz OSPIQZDPXLIPII-SRVKXCTJSA-N 1 1 194.322 1.635 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@H](CO)C1 715058798 674019866 /nfs/dbraw/zinc/01/98/66/674019866.db2.gz UESMSNKMYFUVKN-UWVGGRQHSA-N 1 1 169.268 1.265 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@H](C)[C@@H](CO)C1 715045111 674019870 /nfs/dbraw/zinc/01/98/70/674019870.db2.gz CXWHQFWFHWXYNQ-SDDRHHMPSA-N 1 1 197.322 1.901 10 30 ADEEMO C=CC[C@H](C)[N@H+]1C[C@@H](C)[C@@H](O)C1 715028660 674019890 /nfs/dbraw/zinc/01/98/90/674019890.db2.gz LETRCNLXRZIJJW-UTLUCORTSA-N 1 1 169.268 1.264 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CC[C@H](CCO)C1 715026398 674019903 /nfs/dbraw/zinc/01/99/03/674019903.db2.gz ZPSWXGMDJJHADN-GHMZBOCLSA-N 1 1 183.295 1.655 10 30 ADEEMO C=CC[C@@H](C)[N@@H+](C)CC(C)(C)C[NH3+] 715055180 674019922 /nfs/dbraw/zinc/01/99/22/674019922.db2.gz VFCOCKUSSDQWOT-SNVBAGLBSA-N 1 1 184.327 1.868 10 30 ADEEMO C=CC[C@@H](C)[N@H+](C)CC(C)(C)CN 715055180 674019923 /nfs/dbraw/zinc/01/99/23/674019923.db2.gz VFCOCKUSSDQWOT-SNVBAGLBSA-N 1 1 184.327 1.868 10 30 ADEEMO C=CC[C@@H](C)[N@@H+](C)CC(C)(C)CN 715055180 674019924 /nfs/dbraw/zinc/01/99/24/674019924.db2.gz VFCOCKUSSDQWOT-SNVBAGLBSA-N 1 1 184.327 1.868 10 30 ADEEMO C=CC[C@H](C)[N@@H+](CCO)CC1CC1 715058421 674019930 /nfs/dbraw/zinc/01/99/30/674019930.db2.gz PQZUKPDELPXUGH-JTQLQIEISA-N 1 1 183.295 1.655 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CC[C@@H](CO)C1 715058797 674019939 /nfs/dbraw/zinc/01/99/39/674019939.db2.gz UESMSNKMYFUVKN-NXEZZACHSA-N 1 1 169.268 1.265 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 715051379 674019944 /nfs/dbraw/zinc/01/99/44/674019944.db2.gz BYYFBTOUTAOFHL-GRYCIOLGSA-N 1 1 196.338 1.868 10 30 ADEEMO C=CC[C@H](C)[N@H+]1C[C@@H](C)[C@](C)(CO)C1 715047359 674019949 /nfs/dbraw/zinc/01/99/49/674019949.db2.gz SOZFYQCZYHACOF-WOPDTQHZSA-N 1 1 197.322 1.901 10 30 ADEEMO C=CC[C@H](C)[N@@H+]1C[C@H]2[C@@H](O)CC[C@H]2C1 715024444 674019959 /nfs/dbraw/zinc/01/99/59/674019959.db2.gz NKPFFZHNLLBHQE-YFKTTZPYSA-N 1 1 195.306 1.654 10 30 ADEEMO C=CC[C@H](C)[N@@H+](C)[C@@H]1CCC[C@H]1O 715047066 674019963 /nfs/dbraw/zinc/01/99/63/674019963.db2.gz QQZDPHFRLQOGHX-HBNTYKKESA-N 1 1 183.295 1.796 10 30 ADEEMO C=CC[C@@H](C)[N@@H+](C)[C@@H]1CCC[C@H]1O 715047063 674019966 /nfs/dbraw/zinc/01/99/66/674019966.db2.gz QQZDPHFRLQOGHX-GMTAPVOTSA-N 1 1 183.295 1.796 10 30 ADEEMO C#CCCCn1cc(C)[nH+]c1C 715090081 674020422 /nfs/dbraw/zinc/02/04/22/674020422.db2.gz CGQTVUVJDQECGV-UHFFFAOYSA-N 1 1 162.236 1.913 10 30 ADEEMO N#CCCC[N@H+]1C[C@@H]2[C@H](C1)C2(F)F 715397908 674021619 /nfs/dbraw/zinc/02/16/19/674021619.db2.gz BLFVMBXACKOOJU-OCAPTIKFSA-N 1 1 186.205 1.487 10 30 ADEEMO C=CC[C@@H](C)[N@H+](C)C[C@@H](C)C(=O)OC 715731353 674022855 /nfs/dbraw/zinc/02/28/55/674022855.db2.gz GXPJYOSGHPFIJR-NXEZZACHSA-N 1 1 199.294 1.692 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CCC2(C1)OCCO2 715751084 674022983 /nfs/dbraw/zinc/02/29/83/674022983.db2.gz XXLGLVZDTQUCPE-JTQLQIEISA-N 1 1 197.278 1.400 10 30 ADEEMO C=CC[C@H](C)[N@H+](C)C[C@H](C)C(=O)OC 715731356 674023015 /nfs/dbraw/zinc/02/30/15/674023015.db2.gz GXPJYOSGHPFIJR-UWVGGRQHSA-N 1 1 199.294 1.692 10 30 ADEEMO C=CC[C@@H](C)[N@H+](C)C[C@H](C)C(=O)OC 715731357 674023022 /nfs/dbraw/zinc/02/30/22/674023022.db2.gz GXPJYOSGHPFIJR-VHSXEESVSA-N 1 1 199.294 1.692 10 30 ADEEMO C=CC[C@@H](C)[N@@H+](C)CC(=O)OC 715731403 674023105 /nfs/dbraw/zinc/02/31/05/674023105.db2.gz GZZGJFDJPMZUES-MRVPVSSYSA-N 1 1 171.240 1.056 10 30 ADEEMO C=CC[C@@H](C)[N@H+](C)CC(=O)OC 715731403 674023106 /nfs/dbraw/zinc/02/31/06/674023106.db2.gz GZZGJFDJPMZUES-MRVPVSSYSA-N 1 1 171.240 1.056 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CCC2(C1)OCCO2 715751089 674023197 /nfs/dbraw/zinc/02/31/97/674023197.db2.gz XXLGLVZDTQUCPE-SNVBAGLBSA-N 1 1 197.278 1.400 10 30 ADEEMO C=CC[C@H](C)[N@@H+](C)CC(=O)OC 715731405 674023239 /nfs/dbraw/zinc/02/32/39/674023239.db2.gz GZZGJFDJPMZUES-QMMMGPOBSA-N 1 1 171.240 1.056 10 30 ADEEMO C=CC[C@H](C)[N@H+](C)CC(=O)OC 715731405 674023240 /nfs/dbraw/zinc/02/32/40/674023240.db2.gz GZZGJFDJPMZUES-QMMMGPOBSA-N 1 1 171.240 1.056 10 30 ADEEMO C=CC[C@H](C)[N@H+](C)C[C@@H](C)C(=O)OC 715731359 674023491 /nfs/dbraw/zinc/02/34/91/674023491.db2.gz GXPJYOSGHPFIJR-ZJUUUORDSA-N 1 1 199.294 1.692 10 30 ADEEMO C#CCC[N@H+]1CC[C@H](n2cccn2)C1 812875673 674028263 /nfs/dbraw/zinc/02/82/63/674028263.db2.gz AQBKQOGYILYOMD-NSHDSACASA-N 1 1 189.262 1.153 10 30 ADEEMO C#CCC[N@H+]1CC[C@@H](n2cccn2)C1 812875671 674028278 /nfs/dbraw/zinc/02/82/78/674028278.db2.gz AQBKQOGYILYOMD-LLVKDONJSA-N 1 1 189.262 1.153 10 30 ADEEMO CC#CC[N@@H+](C)CC1(O)CCCCC1 815279252 674028665 /nfs/dbraw/zinc/02/86/65/674028665.db2.gz FZRPZSCPXVGODW-UHFFFAOYSA-N 1 1 195.306 1.637 10 30 ADEEMO C#CC[N@@H+]1CCOC[C@@H]1CC1CCC1 815292530 674028674 /nfs/dbraw/zinc/02/86/74/674028674.db2.gz QTYUCYXPUHJFDZ-LBPRGKRZSA-N 1 1 193.290 1.511 10 30 ADEEMO C#CC[N@H+]1CCOC[C@@H]1CC1CCC1 815292530 674028675 /nfs/dbraw/zinc/02/86/75/674028675.db2.gz QTYUCYXPUHJFDZ-LBPRGKRZSA-N 1 1 193.290 1.511 10 30 ADEEMO CC#CC[N@H+](C)Cc1ccc(F)cn1 815280305 674028689 /nfs/dbraw/zinc/02/86/89/674028689.db2.gz DZJMHFOXBBXHRM-UHFFFAOYSA-N 1 1 192.237 1.676 10 30 ADEEMO CC#CC[N@@H+](C)Cc1ccc(F)cn1 815280305 674028690 /nfs/dbraw/zinc/02/86/90/674028690.db2.gz DZJMHFOXBBXHRM-UHFFFAOYSA-N 1 1 192.237 1.676 10 30 ADEEMO C=CCCCC[N@@H+]1C[C@H]2C[C@@]2(CO)C1 829106282 674032343 /nfs/dbraw/zinc/03/23/43/674032343.db2.gz HQKNMLREVXKJLJ-NEPJUHHUSA-N 1 1 195.306 1.657 10 30 ADEEMO C#C[C@H](C)[NH2+]Cc1ccncc1F 824363541 674030511 /nfs/dbraw/zinc/03/05/11/674030511.db2.gz FIPGRLBTQMOEBV-QMMMGPOBSA-N 1 1 178.210 1.332 10 30 ADEEMO C#C[C@@H](C)[NH2+]Cc1ccncc1F 824363540 674030548 /nfs/dbraw/zinc/03/05/48/674030548.db2.gz FIPGRLBTQMOEBV-MRVPVSSYSA-N 1 1 178.210 1.332 10 30 ADEEMO C=CC[N@H+](C)CC(=C)C 149028296 1169249207 /nfs/dbraw/zinc/24/92/07/1169249207.db2.gz AVOJXDWKFUXGRA-UHFFFAOYSA-N 1 1 125.215 1.680 10 30 ADEEMO C=CCCCC[N@@H+]1C[C@@H]2C[C@]2(CO)C1 829106283 674032383 /nfs/dbraw/zinc/03/23/83/674032383.db2.gz HQKNMLREVXKJLJ-NWDGAFQWSA-N 1 1 195.306 1.657 10 30 ADEEMO C#CCN1CC[N@H+](CC)C[C@H]1CC 831964730 674032903 /nfs/dbraw/zinc/03/29/03/674032903.db2.gz GOHLBWPQSCYLSY-LLVKDONJSA-N 1 1 180.295 1.036 10 30 ADEEMO C#CCN1CC[N@H+](CC)C[C@@H]1CC 831964731 674033106 /nfs/dbraw/zinc/03/31/06/674033106.db2.gz GOHLBWPQSCYLSY-NSHDSACASA-N 1 1 180.295 1.036 10 30 ADEEMO C=C(C)C[NH2+]C1C[C@@H]2CC[C@H](C1)N2C 160320304 1169259826 /nfs/dbraw/zinc/25/98/26/1169259826.db2.gz PXOQGXOSAMOZCM-YOGCLGLASA-N 1 1 194.322 1.777 10 30 ADEEMO CC[C@@H](CC#N)[N@H+](C)CCSC 160033165 1169259963 /nfs/dbraw/zinc/25/99/63/1169259963.db2.gz SXWDTIFYWPLWJE-VIFPVBQESA-N 1 1 186.324 1.973 10 30 ADEEMO CC[C@@H](CC#N)[N@@H+](C)CCSC 160033165 1169259971 /nfs/dbraw/zinc/25/99/71/1169259971.db2.gz SXWDTIFYWPLWJE-VIFPVBQESA-N 1 1 186.324 1.973 10 30 ADEEMO C#CCON=C1CC[N@H+](C)C(C)(C)C1 863114243 674041521 /nfs/dbraw/zinc/04/15/21/674041521.db2.gz FIBPFGQYVVNEGR-UHFFFAOYSA-N 1 1 194.278 1.496 10 30 ADEEMO C1C[C@H]2C[N@@H+](C1)CC2=NOCC1CC1 863115233 674041524 /nfs/dbraw/zinc/04/15/24/674041524.db2.gz HTXLGPWHHCKSHK-JTQLQIEISA-N 1 1 194.278 1.495 10 30 ADEEMO C#CC[N@H+](CC)C[C@@](C)(CC)OC 876638656 674042066 /nfs/dbraw/zinc/04/20/66/674042066.db2.gz DXMHYZXCADCXFS-LLVKDONJSA-N 1 1 183.295 1.757 10 30 ADEEMO C#CCC[N@H+](C)C1CCC1 160365609 1169260893 /nfs/dbraw/zinc/26/08/93/1169260893.db2.gz DYJOPBPUATWYDN-UHFFFAOYSA-N 1 1 137.226 1.494 10 30 ADEEMO CC[C@H](CC#N)[N@H+](C)CCSC 160033312 1169260977 /nfs/dbraw/zinc/26/09/77/1169260977.db2.gz SXWDTIFYWPLWJE-SECBINFHSA-N 1 1 186.324 1.973 10 30 ADEEMO CC[C@H](CC#N)[N@@H+](C)CCSC 160033312 1169260989 /nfs/dbraw/zinc/26/09/89/1169260989.db2.gz SXWDTIFYWPLWJE-SECBINFHSA-N 1 1 186.324 1.973 10 30 ADEEMO C#CC[N@H+](CC)C[C@](C)(CC)OC 876638657 674042130 /nfs/dbraw/zinc/04/21/30/674042130.db2.gz DXMHYZXCADCXFS-NSHDSACASA-N 1 1 183.295 1.757 10 30 ADEEMO C#CC[N@@H+](CC)CCC[C@@H]1CCO1 876638469 674042392 /nfs/dbraw/zinc/04/23/92/674042392.db2.gz BBFUCUMHMOLLTR-LLVKDONJSA-N 1 1 181.279 1.511 10 30 ADEEMO C#CC[N@@H+](CC)Cc1cccc(C#N)n1 876638702 674042552 /nfs/dbraw/zinc/04/25/52/674042552.db2.gz GNTUECTYYHEUFV-UHFFFAOYSA-N 1 1 199.257 1.408 10 30 ADEEMO C#CC[N@H+](CC)Cc1cccc(C#N)n1 876638702 674042556 /nfs/dbraw/zinc/04/25/56/674042556.db2.gz GNTUECTYYHEUFV-UHFFFAOYSA-N 1 1 199.257 1.408 10 30 ADEEMO C#CC[N@@H+](CC)CCC[C@H]1CCO1 876638470 674042589 /nfs/dbraw/zinc/04/25/89/674042589.db2.gz BBFUCUMHMOLLTR-NSHDSACASA-N 1 1 181.279 1.511 10 30 ADEEMO C#CC[N@@H+](CCC[C@H]1CCO1)C1CC1 877371912 674042962 /nfs/dbraw/zinc/04/29/62/674042962.db2.gz QWZNCQJLRNHDRQ-LBPRGKRZSA-N 1 1 193.290 1.653 10 30 ADEEMO C#CC[N@@H+](CCC[C@@H]1CCO1)C1CC1 877371911 674043268 /nfs/dbraw/zinc/04/32/68/674043268.db2.gz QWZNCQJLRNHDRQ-GFCCVEGCSA-N 1 1 193.290 1.653 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1C[C@H](C)N(C)[C@H](C)C1 878653704 674043425 /nfs/dbraw/zinc/04/34/25/674043425.db2.gz DZUMJRGLLQBJJI-UTUOFQBUSA-N 1 1 196.338 1.975 10 30 ADEEMO C=CC[C@@H](C)[N@H+](C)C[C@@H](C)OC 878613829 674043595 /nfs/dbraw/zinc/04/35/95/674043595.db2.gz XSJYZWMDXZKSCU-NXEZZACHSA-N 1 1 171.284 1.918 10 30 ADEEMO C=CC[C@@H](C)[N@H+](C)C[C@H](C)OC 878613832 674043657 /nfs/dbraw/zinc/04/36/57/674043657.db2.gz XSJYZWMDXZKSCU-ZJUUUORDSA-N 1 1 171.284 1.918 10 30 ADEEMO C=CC[C@H](C)[N@H+]1C[C@H](C)N(C)[C@H](C)C1 878653703 674043791 /nfs/dbraw/zinc/04/37/91/674043791.db2.gz DZUMJRGLLQBJJI-SDDRHHMPSA-N 1 1 196.338 1.975 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@@H](CC(N)=O)C1 878622509 674043892 /nfs/dbraw/zinc/04/38/92/674043892.db2.gz YISMWUDJEVLOAX-UWVGGRQHSA-N 1 1 196.294 1.148 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CC[C@@H](CC(N)=O)C1 878622511 674043925 /nfs/dbraw/zinc/04/39/25/674043925.db2.gz YISMWUDJEVLOAX-ZJUUUORDSA-N 1 1 196.294 1.148 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CCc2nc[nH]c2C1 878629013 674043936 /nfs/dbraw/zinc/04/39/36/674043936.db2.gz RNDRTMCWSGJKII-SECBINFHSA-N 1 1 191.278 1.732 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CCc2nc[nH]c2C1 878629014 674043956 /nfs/dbraw/zinc/04/39/56/674043956.db2.gz RNDRTMCWSGJKII-VIFPVBQESA-N 1 1 191.278 1.732 10 30 ADEEMO C=CC[C@H](C)[N@H+](C)C[C@@H](C)OC 878613831 674044065 /nfs/dbraw/zinc/04/40/65/674044065.db2.gz XSJYZWMDXZKSCU-VHSXEESVSA-N 1 1 171.284 1.918 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@H](CC(N)=O)C1 878622510 674044073 /nfs/dbraw/zinc/04/40/73/674044073.db2.gz YISMWUDJEVLOAX-VHSXEESVSA-N 1 1 196.294 1.148 10 30 ADEEMO C=CC[C@H](C)[N@H+](C)C[C@H](C)OC 878613830 674044136 /nfs/dbraw/zinc/04/41/36/674044136.db2.gz XSJYZWMDXZKSCU-UWVGGRQHSA-N 1 1 171.284 1.918 10 30 ADEEMO C=CC[C@H](C)[N@H+](C)Cc1nncn1C 878618716 674044146 /nfs/dbraw/zinc/04/41/46/674044146.db2.gz FIASVRNSCOTGDJ-VIFPVBQESA-N 1 1 194.282 1.212 10 30 ADEEMO C=CC[C@H](C)[N@@H+](C)Cc1nncn1C 878618716 674044149 /nfs/dbraw/zinc/04/41/49/674044149.db2.gz FIASVRNSCOTGDJ-VIFPVBQESA-N 1 1 194.282 1.212 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CC[C@H](CC(N)=O)C1 878622508 674044167 /nfs/dbraw/zinc/04/41/67/674044167.db2.gz YISMWUDJEVLOAX-NXEZZACHSA-N 1 1 196.294 1.148 10 30 ADEEMO C#CCCCCC[N@H+](C)C1(CO)CC1 878609821 674044221 /nfs/dbraw/zinc/04/42/21/674044221.db2.gz MHHHMSJEBIXIDJ-UHFFFAOYSA-N 1 1 195.306 1.637 10 30 ADEEMO C=CC[C@@H](C)[N@H+](C)Cc1nncn1C 878618715 674044225 /nfs/dbraw/zinc/04/42/25/674044225.db2.gz FIASVRNSCOTGDJ-SECBINFHSA-N 1 1 194.282 1.212 10 30 ADEEMO C=CC[C@@H](C)[N@@H+](C)Cc1nncn1C 878618715 674044228 /nfs/dbraw/zinc/04/42/28/674044228.db2.gz FIASVRNSCOTGDJ-SECBINFHSA-N 1 1 194.282 1.212 10 30 ADEEMO C#CC[C@H]1CC[N@H+](CCC[C@@H](C)O)C1 886364258 674047297 /nfs/dbraw/zinc/04/72/97/674047297.db2.gz USBLGGRSMMJGMX-NEPJUHHUSA-N 1 1 195.306 1.493 10 30 ADEEMO C#CCCCN1C[C@@H](C)[NH2+][C@H](C)C1 163187800 1169267151 /nfs/dbraw/zinc/26/71/51/1169267151.db2.gz ACAPSEWGVHIUHG-GHMZBOCLSA-N 1 1 180.295 1.082 10 30 ADEEMO C#CCCC[N@@H+]1CCCC[C@H]1C(C)=O 163114330 1169267384 /nfs/dbraw/zinc/26/73/84/1169267384.db2.gz UNCMSGHDUWEFLJ-LBPRGKRZSA-N 1 1 193.290 1.843 10 30 ADEEMO C#CCCC[N@@H+]1CCCC[C@@H]1C(C)=O 163114442 1169267496 /nfs/dbraw/zinc/26/74/96/1169267496.db2.gz UNCMSGHDUWEFLJ-GFCCVEGCSA-N 1 1 193.290 1.843 10 30 ADEEMO C#CCCC[N@@H+]1CCC[C@@H](C(C)=O)C1 163113941 1169267555 /nfs/dbraw/zinc/26/75/55/1169267555.db2.gz XVVZYWCXULHDKI-GFCCVEGCSA-N 1 1 193.290 1.701 10 30 ADEEMO C#CCCCN1C[C@H](C)[NH2+][C@@H](C)C1 163187682 1169267701 /nfs/dbraw/zinc/26/77/01/1169267701.db2.gz ACAPSEWGVHIUHG-QWRGUYRKSA-N 1 1 180.295 1.082 10 30 ADEEMO C#CCCC[N@@H+]1CCC[C@H](C(C)=O)C1 163114062 1169268818 /nfs/dbraw/zinc/26/88/18/1169268818.db2.gz XVVZYWCXULHDKI-LBPRGKRZSA-N 1 1 193.290 1.701 10 30 ADEEMO CC#CC[N@H+](C)Cc1ccc(N)nc1 930587896 674053456 /nfs/dbraw/zinc/05/34/56/674053456.db2.gz FHUZQUWQQYLLBZ-UHFFFAOYSA-N 1 1 189.262 1.119 10 30 ADEEMO CC#CC[N@@H+](C)Cc1ccc(N)nc1 930587896 674053457 /nfs/dbraw/zinc/05/34/57/674053457.db2.gz FHUZQUWQQYLLBZ-UHFFFAOYSA-N 1 1 189.262 1.119 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1C[C@H](O)COCC 934468729 674056291 /nfs/dbraw/zinc/05/62/91/674056291.db2.gz IBNUDMORLCXRML-MNOVXSKESA-N 1 1 199.294 1.034 10 30 ADEEMO C[N@H+](CCOC1CC1)CC(C)(C)C#N 930567254 674053329 /nfs/dbraw/zinc/05/33/29/674053329.db2.gz HBFWGIRJJJCIAX-UHFFFAOYSA-N 1 1 196.294 1.647 10 30 ADEEMO C[N@@H+](CCOC1CC1)CC(C)(C)C#N 930567254 674053330 /nfs/dbraw/zinc/05/33/30/674053330.db2.gz HBFWGIRJJJCIAX-UHFFFAOYSA-N 1 1 196.294 1.647 10 30 ADEEMO CC#CCN(C)Cc1[nH]c(C)[nH+]c1C 930590728 674054596 /nfs/dbraw/zinc/05/45/96/674054596.db2.gz XUWOSCIDRNPIRU-UHFFFAOYSA-N 1 1 191.278 1.482 10 30 ADEEMO C=CCC[N@H+]1C[C@H]2CN(C)C[C@@]2(C)C1 933734479 674055769 /nfs/dbraw/zinc/05/57/69/674055769.db2.gz TZWMLKXSRASWAX-NEPJUHHUSA-N 1 1 194.322 1.446 10 30 ADEEMO C=CCC[N@@H+]1C[C@H]2CN(C)C[C@@]2(C)C1 933734479 674055770 /nfs/dbraw/zinc/05/57/70/674055770.db2.gz TZWMLKXSRASWAX-NEPJUHHUSA-N 1 1 194.322 1.446 10 30 ADEEMO C=C(C)C[N@H+]1C[C@H]2CN(C)C[C@@]2(C)C1 933731824 674055805 /nfs/dbraw/zinc/05/58/05/674055805.db2.gz BSAXZEQMDMWZIK-NEPJUHHUSA-N 1 1 194.322 1.446 10 30 ADEEMO C=C(C)C[N@@H+]1C[C@H]2CN(C)C[C@@]2(C)C1 933731824 674055808 /nfs/dbraw/zinc/05/58/08/674055808.db2.gz BSAXZEQMDMWZIK-NEPJUHHUSA-N 1 1 194.322 1.446 10 30 ADEEMO C=C(C)CN1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 933731824 674055809 /nfs/dbraw/zinc/05/58/09/674055809.db2.gz BSAXZEQMDMWZIK-NEPJUHHUSA-N 1 1 194.322 1.446 10 30 ADEEMO C=C(C)CN1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 933731824 674055811 /nfs/dbraw/zinc/05/58/11/674055811.db2.gz BSAXZEQMDMWZIK-NEPJUHHUSA-N 1 1 194.322 1.446 10 30 ADEEMO C=CCN1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 933740312 674055828 /nfs/dbraw/zinc/05/58/28/674055828.db2.gz JOAMNGOKLHMIRZ-MNOVXSKESA-N 1 1 180.295 1.056 10 30 ADEEMO C=CC[N@H+]1C[C@H]2CN(C)C[C@@]2(C)C1 933740312 674055837 /nfs/dbraw/zinc/05/58/37/674055837.db2.gz JOAMNGOKLHMIRZ-MNOVXSKESA-N 1 1 180.295 1.056 10 30 ADEEMO C=CC[N@@H+]1C[C@H]2CN(C)C[C@@]2(C)C1 933740312 674055838 /nfs/dbraw/zinc/05/58/38/674055838.db2.gz JOAMNGOKLHMIRZ-MNOVXSKESA-N 1 1 180.295 1.056 10 30 ADEEMO C#CC[N@@H+](C)Cc1cc(C#N)cs1 933775944 674055864 /nfs/dbraw/zinc/05/58/64/674055864.db2.gz PPSZDBRSVZLMSE-UHFFFAOYSA-N 1 1 190.271 1.685 10 30 ADEEMO C#CC[N@H+](C)Cc1cc(C#N)cs1 933775944 674055865 /nfs/dbraw/zinc/05/58/65/674055865.db2.gz PPSZDBRSVZLMSE-UHFFFAOYSA-N 1 1 190.271 1.685 10 30 ADEEMO C#CC[N@H+]1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1 933708226 674055901 /nfs/dbraw/zinc/05/59/01/674055901.db2.gz FPZCPIFVQGPZLH-QNWHQSFQSA-N 1 1 189.302 1.988 10 30 ADEEMO C=CC[C@H]1CC[N@H+]1[C@H](C)C(=O)OC 934468773 674056273 /nfs/dbraw/zinc/05/62/73/674056273.db2.gz JCURKSLLASVMBI-BDAKNGLRSA-N 1 1 183.251 1.198 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1[C@H](C)C(=O)OC 934468773 674056274 /nfs/dbraw/zinc/05/62/74/674056274.db2.gz JCURKSLLASVMBI-BDAKNGLRSA-N 1 1 183.251 1.198 10 30 ADEEMO C=CC[N@@H+]1CCOC[C@@]1(C)C1CC1 934481297 674056285 /nfs/dbraw/zinc/05/62/85/674056285.db2.gz GOUJTTJXTOPISA-NSHDSACASA-N 1 1 181.279 1.673 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1CCCCO 934469054 674056289 /nfs/dbraw/zinc/05/62/89/674056289.db2.gz NILVEZXUWZZRPQ-JTQLQIEISA-N 1 1 169.268 1.409 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1CC(=O)NC(C)C 934471242 674056293 /nfs/dbraw/zinc/05/62/93/674056293.db2.gz JYPPVNVQUXNPMS-JTQLQIEISA-N 1 1 196.294 1.161 10 30 ADEEMO C=CC[N@@H+]1CCOC[C@]1(C)C1CC1 934481295 674056314 /nfs/dbraw/zinc/05/63/14/674056314.db2.gz GOUJTTJXTOPISA-LLVKDONJSA-N 1 1 181.279 1.673 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)N(C)C 934472872 674056406 /nfs/dbraw/zinc/05/64/06/674056406.db2.gz ULAFRNSROLLXIN-VHSXEESVSA-N 1 1 196.294 1.114 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1CC(=O)NC(C)C 934471243 674056418 /nfs/dbraw/zinc/05/64/18/674056418.db2.gz JYPPVNVQUXNPMS-SNVBAGLBSA-N 1 1 196.294 1.161 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1C[C@@H](O)COCC 934468731 674056452 /nfs/dbraw/zinc/05/64/52/674056452.db2.gz IBNUDMORLCXRML-WDEREUQCSA-N 1 1 199.294 1.034 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1CCC#N 934471135 674056462 /nfs/dbraw/zinc/05/64/62/674056462.db2.gz IEVGJSIQJOBLND-SECBINFHSA-N 1 1 150.225 1.550 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1CC(=O)N(C)CC 934471036 674056371 /nfs/dbraw/zinc/05/63/71/674056371.db2.gz QVRJKAHWXRKRFA-JTQLQIEISA-N 1 1 196.294 1.115 10 30 ADEEMO C=CC[C@@H]1CC[N@H+]1CCC#N 934471135 674056465 /nfs/dbraw/zinc/05/64/65/674056465.db2.gz IEVGJSIQJOBLND-SECBINFHSA-N 1 1 150.225 1.550 10 30 ADEEMO C=CC[C@@H]1CC[N@H+]1[C@H](C)C(=O)OC 934468776 674056524 /nfs/dbraw/zinc/05/65/24/674056524.db2.gz JCURKSLLASVMBI-RKDXNWHRSA-N 1 1 183.251 1.198 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)OC 934468776 674056529 /nfs/dbraw/zinc/05/65/29/674056529.db2.gz JCURKSLLASVMBI-RKDXNWHRSA-N 1 1 183.251 1.198 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1[C@H](C)C(=O)N(C)C 934472873 674056537 /nfs/dbraw/zinc/05/65/37/674056537.db2.gz ULAFRNSROLLXIN-ZJUUUORDSA-N 1 1 196.294 1.114 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1CCC(=O)NCC 934472182 674056636 /nfs/dbraw/zinc/05/66/36/674056636.db2.gz ZSFMZXJLOBHXAA-JTQLQIEISA-N 1 1 196.294 1.163 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1C[C@H](O)COCC 934468730 674056650 /nfs/dbraw/zinc/05/66/50/674056650.db2.gz IBNUDMORLCXRML-QWRGUYRKSA-N 1 1 199.294 1.034 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)N(C)C 934472870 674056655 /nfs/dbraw/zinc/05/66/55/674056655.db2.gz ULAFRNSROLLXIN-UWVGGRQHSA-N 1 1 196.294 1.114 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1CC(=O)N(C)CC 934471038 674056694 /nfs/dbraw/zinc/05/66/94/674056694.db2.gz QVRJKAHWXRKRFA-SNVBAGLBSA-N 1 1 196.294 1.115 10 30 ADEEMO C=CC[C@H]1CC[N@H+]1[C@@H](C)C(=O)OC 934468775 674056719 /nfs/dbraw/zinc/05/67/19/674056719.db2.gz JCURKSLLASVMBI-IUCAKERBSA-N 1 1 183.251 1.198 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)OC 934468775 674056722 /nfs/dbraw/zinc/05/67/22/674056722.db2.gz JCURKSLLASVMBI-IUCAKERBSA-N 1 1 183.251 1.198 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1C[C@@H](O)COCC 934468728 674056742 /nfs/dbraw/zinc/05/67/42/674056742.db2.gz IBNUDMORLCXRML-GHMZBOCLSA-N 1 1 199.294 1.034 10 30 ADEEMO C=CC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)OC 934468774 674056748 /nfs/dbraw/zinc/05/67/48/674056748.db2.gz JCURKSLLASVMBI-DTWKUNHWSA-N 1 1 183.251 1.198 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)OC 934468774 674056751 /nfs/dbraw/zinc/05/67/51/674056751.db2.gz JCURKSLLASVMBI-DTWKUNHWSA-N 1 1 183.251 1.198 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1CCC(=O)NCC 934472183 674056772 /nfs/dbraw/zinc/05/67/72/674056772.db2.gz ZSFMZXJLOBHXAA-SNVBAGLBSA-N 1 1 196.294 1.163 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1CCC#N 934471253 674056781 /nfs/dbraw/zinc/05/67/81/674056781.db2.gz IEVGJSIQJOBLND-VIFPVBQESA-N 1 1 150.225 1.550 10 30 ADEEMO C=CC[C@H]1CC[N@H+]1CCC#N 934471253 674056782 /nfs/dbraw/zinc/05/67/82/674056782.db2.gz IEVGJSIQJOBLND-VIFPVBQESA-N 1 1 150.225 1.550 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)N(C)C 934472869 674056789 /nfs/dbraw/zinc/05/67/89/674056789.db2.gz ULAFRNSROLLXIN-NXEZZACHSA-N 1 1 196.294 1.114 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1CCCCO 934469055 674056793 /nfs/dbraw/zinc/05/67/93/674056793.db2.gz NILVEZXUWZZRPQ-SNVBAGLBSA-N 1 1 169.268 1.409 10 30 ADEEMO C=C[C@H](CO)[NH2+]Cc1cc(C)co1 718094114 674059200 /nfs/dbraw/zinc/05/92/00/674059200.db2.gz MLFBPDUMDJGDKX-SECBINFHSA-N 1 1 181.235 1.225 10 30 ADEEMO C#CC[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 88022966 674059783 /nfs/dbraw/zinc/05/97/83/674059783.db2.gz UBZFLFVPWJXLDK-VXGBXAGGSA-N 1 1 193.290 1.247 10 30 ADEEMO C#C[C@@H](C)[NH2+][C@H](CC)CC#N 166716461 1169279401 /nfs/dbraw/zinc/27/94/01/1169279401.db2.gz WIICLDGEUNELPZ-RKDXNWHRSA-N 1 1 150.225 1.290 10 30 ADEEMO C#C[C@@H](C)[NH2+][C@@H](CC)CC#N 166716346 1169279505 /nfs/dbraw/zinc/27/95/05/1169279505.db2.gz WIICLDGEUNELPZ-BDAKNGLRSA-N 1 1 150.225 1.290 10 30 ADEEMO C#C[C@H](C)[NH2+][C@H](CC)CC#N 166716246 1169280046 /nfs/dbraw/zinc/28/00/46/1169280046.db2.gz WIICLDGEUNELPZ-DTWKUNHWSA-N 1 1 150.225 1.290 10 30 ADEEMO C#C[C@H](C)[NH2+][C@@H](CC)CC#N 166716129 1169280767 /nfs/dbraw/zinc/28/07/67/1169280767.db2.gz WIICLDGEUNELPZ-IUCAKERBSA-N 1 1 150.225 1.290 10 30 ADEEMO C=C(C)C[NH2+][C@H]1CCC[N@H+](C)CC1 167469339 1169285694 /nfs/dbraw/zinc/28/56/94/1169285694.db2.gz WEBGJJUQYCZBAJ-NSHDSACASA-N 1 1 182.311 1.636 10 30 ADEEMO C=C(C)C[NH2+][C@H]1CCCN(C)CC1 167469339 1169285699 /nfs/dbraw/zinc/28/56/99/1169285699.db2.gz WEBGJJUQYCZBAJ-NSHDSACASA-N 1 1 182.311 1.636 10 30 ADEEMO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C 720350976 674067505 /nfs/dbraw/zinc/06/75/05/674067505.db2.gz JLQLTMZPQGOQMV-VXGBXAGGSA-N 1 1 192.306 1.178 10 30 ADEEMO C=CC[C@H](CO)[NH2+]Cc1cc(C)on1 720344703 674067567 /nfs/dbraw/zinc/06/75/67/674067567.db2.gz JAFALLQGWAENFC-SECBINFHSA-N 1 1 196.250 1.010 10 30 ADEEMO C=C(C)C[NH2+][C@@H]1CCC[N@H+](C)CC1 167469221 1169286557 /nfs/dbraw/zinc/28/65/57/1169286557.db2.gz WEBGJJUQYCZBAJ-LLVKDONJSA-N 1 1 182.311 1.636 10 30 ADEEMO C=CC[C@@H](CO)[NH2+]Cc1cc(C)on1 720344704 674067653 /nfs/dbraw/zinc/06/76/53/674067653.db2.gz JAFALLQGWAENFC-VIFPVBQESA-N 1 1 196.250 1.010 10 30 ADEEMO C=C(C)C[NH2+][C@@H]1CCCN(C)CC1 167469221 1169286564 /nfs/dbraw/zinc/28/65/64/1169286564.db2.gz WEBGJJUQYCZBAJ-LLVKDONJSA-N 1 1 182.311 1.636 10 30 ADEEMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C 720350959 674067740 /nfs/dbraw/zinc/06/77/40/674067740.db2.gz JLQLTMZPQGOQMV-NEPJUHHUSA-N 1 1 192.306 1.178 10 30 ADEEMO C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C 720350969 674067771 /nfs/dbraw/zinc/06/77/71/674067771.db2.gz JLQLTMZPQGOQMV-NWDGAFQWSA-N 1 1 192.306 1.178 10 30 ADEEMO C[N@H+]1CCC[C@H]2[C@H]1CCN2CCC#N 720353732 674068122 /nfs/dbraw/zinc/06/81/22/674068122.db2.gz VMMCPHFGPVDGDM-MNOVXSKESA-N 1 1 193.294 1.069 10 30 ADEEMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2CCC#N 720353944 674068142 /nfs/dbraw/zinc/06/81/42/674068142.db2.gz VMMCPHFGPVDGDM-WDEREUQCSA-N 1 1 193.294 1.069 10 30 ADEEMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2CCC#N 720353943 674068300 /nfs/dbraw/zinc/06/83/00/674068300.db2.gz VMMCPHFGPVDGDM-QWRGUYRKSA-N 1 1 193.294 1.069 10 30 ADEEMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2CCC#N 720353727 674068309 /nfs/dbraw/zinc/06/83/09/674068309.db2.gz VMMCPHFGPVDGDM-GHMZBOCLSA-N 1 1 193.294 1.069 10 30 ADEEMO C#C[C@](C)(CC)[NH2+]Cc1nocc1C 720363376 674068603 /nfs/dbraw/zinc/06/86/03/674068603.db2.gz VHZJNPWNOAKOOO-LLVKDONJSA-N 1 1 192.262 1.875 10 30 ADEEMO C#CCCC[N@H+]1CCO[C@H](C)CC1 720397988 674068624 /nfs/dbraw/zinc/06/86/24/674068624.db2.gz AHNAGGCJKXXUSI-LLVKDONJSA-N 1 1 181.279 1.511 10 30 ADEEMO C#CCC[N@H+]1CCO[C@@H](C)CC1 720399192 674068691 /nfs/dbraw/zinc/06/86/91/674068691.db2.gz KFJFJGVXWGNKHC-JTQLQIEISA-N 1 1 167.252 1.121 10 30 ADEEMO C#CCC[N@H+]1CCO[C@H](C)CC1 720399193 674068921 /nfs/dbraw/zinc/06/89/21/674068921.db2.gz KFJFJGVXWGNKHC-SNVBAGLBSA-N 1 1 167.252 1.121 10 30 ADEEMO C#CCCC[N@H+]1CCO[C@@H](C)CC1 720397990 674069022 /nfs/dbraw/zinc/06/90/22/674069022.db2.gz AHNAGGCJKXXUSI-NSHDSACASA-N 1 1 181.279 1.511 10 30 ADEEMO C[C@@H]1CC[N@@H+](CCCC#N)CCO1 720458368 674069666 /nfs/dbraw/zinc/06/96/66/674069666.db2.gz KQNJXCCXIWZRNT-SNVBAGLBSA-N 1 1 182.267 1.401 10 30 ADEEMO C[C@@H]1CC[N@@H+](CCCCC#N)CCO1 720456554 674069900 /nfs/dbraw/zinc/06/99/00/674069900.db2.gz GHPSZUJYFOJDQX-LLVKDONJSA-N 1 1 196.294 1.791 10 30 ADEEMO C[C@H]1CC[N@@H+](CCCC#N)CCO1 720458366 674069933 /nfs/dbraw/zinc/06/99/33/674069933.db2.gz KQNJXCCXIWZRNT-JTQLQIEISA-N 1 1 182.267 1.401 10 30 ADEEMO C[C@H]1CC[N@@H+](CCCCC#N)CCO1 720456555 674070168 /nfs/dbraw/zinc/07/01/68/674070168.db2.gz GHPSZUJYFOJDQX-NSHDSACASA-N 1 1 196.294 1.791 10 30 ADEEMO C[C@@H]1CC[N@@H+]([C@H](C)CCC#N)CCO1 720470190 674070851 /nfs/dbraw/zinc/07/08/51/674070851.db2.gz FCZVCIKVSBDZEJ-GHMZBOCLSA-N 1 1 196.294 1.789 10 30 ADEEMO C[C@@H](CCC#N)[N@H+]1CCO[C@H](C)CC1 720470194 674070868 /nfs/dbraw/zinc/07/08/68/674070868.db2.gz FCZVCIKVSBDZEJ-WDEREUQCSA-N 1 1 196.294 1.789 10 30 ADEEMO C[C@H]1CC[N@@H+]([C@H](C)CCC#N)CCO1 720470191 674070886 /nfs/dbraw/zinc/07/08/86/674070886.db2.gz FCZVCIKVSBDZEJ-MNOVXSKESA-N 1 1 196.294 1.789 10 30 ADEEMO C[C@H]1CC[N@@H+]([C@@H](C)CCC#N)CCO1 720470193 674070917 /nfs/dbraw/zinc/07/09/17/674070917.db2.gz FCZVCIKVSBDZEJ-QWRGUYRKSA-N 1 1 196.294 1.789 10 30 ADEEMO C=CCC[NH2+][C@H]1CCCN(C)CC1 168544050 1169290055 /nfs/dbraw/zinc/29/00/55/1169290055.db2.gz VPASOWIABXPCEH-NSHDSACASA-N 1 1 182.311 1.636 10 30 ADEEMO C=CCC[NH2+][C@@H]1CCCN(C)CC1 168544157 1169290137 /nfs/dbraw/zinc/29/01/37/1169290137.db2.gz VPASOWIABXPCEH-LLVKDONJSA-N 1 1 182.311 1.636 10 30 ADEEMO C=CCCC[N@H+]1C[C@H](N)C(C)(C)C1 720739531 674071325 /nfs/dbraw/zinc/07/13/25/674071325.db2.gz VQVWKOBBOWQBDQ-JTQLQIEISA-N 1 1 182.311 1.622 10 30 ADEEMO C=CCCCN1C[C@H]([NH3+])C(C)(C)C1 720739531 674071331 /nfs/dbraw/zinc/07/13/31/674071331.db2.gz VQVWKOBBOWQBDQ-JTQLQIEISA-N 1 1 182.311 1.622 10 30 ADEEMO C=CCCC[N@H+]1C[C@@H](N)C(C)(C)C1 720739533 674071445 /nfs/dbraw/zinc/07/14/45/674071445.db2.gz VQVWKOBBOWQBDQ-SNVBAGLBSA-N 1 1 182.311 1.622 10 30 ADEEMO C=CCCCN1C[C@@H]([NH3+])C(C)(C)C1 720739533 674071456 /nfs/dbraw/zinc/07/14/56/674071456.db2.gz VQVWKOBBOWQBDQ-SNVBAGLBSA-N 1 1 182.311 1.622 10 30 ADEEMO C#CC[N@H+](C)[C@@H]1CCO[C@H](C)C1 721490619 674078676 /nfs/dbraw/zinc/07/86/76/674078676.db2.gz BZRLQGAXHHPWLU-NXEZZACHSA-N 1 1 167.252 1.119 10 30 ADEEMO CC[C@H](CC#N)[N@H+]1CCC[C@@H](CO)C1 218454473 1169340714 /nfs/dbraw/zinc/34/07/14/1169340714.db2.gz KGEZEEWQVJCDLR-GHMZBOCLSA-N 1 1 196.294 1.383 10 30 ADEEMO CC[C@@H](CC#N)[N@H+]1CCC[C@@H](CO)C1 218454401 1169342759 /nfs/dbraw/zinc/34/27/59/1169342759.db2.gz KGEZEEWQVJCDLR-MNOVXSKESA-N 1 1 196.294 1.383 10 30 ADEEMO C=CCC[N@H+](C)CCC 220905868 1169351326 /nfs/dbraw/zinc/35/13/26/1169351326.db2.gz SWBMVMQHGKBHOT-UHFFFAOYSA-N 1 1 127.231 1.904 10 30 ADEEMO C=CCCC[N@@H+]1CC[C@@H](C)[C@@H](O)C1 221463037 1169353013 /nfs/dbraw/zinc/35/30/13/1169353013.db2.gz KSQAJWBKNKWKJJ-MNOVXSKESA-N 1 1 183.295 1.655 10 30 ADEEMO C=CCO[C@@H]1CC[N@H+]([C@@H]2CCOC2)C1 221371476 1169353449 /nfs/dbraw/zinc/35/34/49/1169353449.db2.gz ITVLIDJGDJOILN-GHMZBOCLSA-N 1 1 197.278 1.052 10 30 ADEEMO C[C@@H]1CC[N@@H+](CCCCC#N)C[C@@H]1O 221421510 1169353795 /nfs/dbraw/zinc/35/37/95/1169353795.db2.gz BUIPUNLVIYWAFL-MNOVXSKESA-N 1 1 196.294 1.383 10 30 ADEEMO C=CCO[C@@H]1CC[N@H+]([C@H]2CCOC2)C1 221371533 1169353822 /nfs/dbraw/zinc/35/38/22/1169353822.db2.gz ITVLIDJGDJOILN-WDEREUQCSA-N 1 1 197.278 1.052 10 30 ADEEMO C=CCCC[N@@H+]1CC[C@H](C)[C@@H](O)C1 221463092 1169354599 /nfs/dbraw/zinc/35/45/99/1169354599.db2.gz KSQAJWBKNKWKJJ-QWRGUYRKSA-N 1 1 183.295 1.655 10 30 ADEEMO C[C@H]1CC[N@@H+](CCCCC#N)C[C@@H]1O 221421560 1169354878 /nfs/dbraw/zinc/35/48/78/1169354878.db2.gz BUIPUNLVIYWAFL-QWRGUYRKSA-N 1 1 196.294 1.383 10 30 ADEEMO CO[C@@H]1CCC[C@@H]([N@@H+](C)CCC#N)C1 226545570 1169377591 /nfs/dbraw/zinc/37/75/91/1169377591.db2.gz SXFKLRZZIZUDPM-GHMZBOCLSA-N 1 1 196.294 1.789 10 30 ADEEMO C[C@H](CC(F)(F)F)[NH2+]CCC#N 226403712 1169373714 /nfs/dbraw/zinc/37/37/14/1169373714.db2.gz MWGZFDXHFBOJJE-ZCFIWIBFSA-N 1 1 180.173 1.831 10 30 ADEEMO C[C@@H](CC(F)(F)F)[NH2+]CCC#N 226403707 1169374774 /nfs/dbraw/zinc/37/47/74/1169374774.db2.gz MWGZFDXHFBOJJE-LURJTMIESA-N 1 1 180.173 1.831 10 30 ADEEMO CO[C@@H]1CCC[C@H]([N@@H+](C)CCC#N)C1 226545578 1169377477 /nfs/dbraw/zinc/37/74/77/1169377477.db2.gz SXFKLRZZIZUDPM-WDEREUQCSA-N 1 1 196.294 1.789 10 30 ADEEMO CN(C)CC[NH+]1CCC(C)(C#N)CC1 227353827 1169379725 /nfs/dbraw/zinc/37/97/25/1169379725.db2.gz ZXUBEOXRKQGBRE-UHFFFAOYSA-N 1 1 195.310 1.174 10 30 ADEEMO CC#CCC[NH2+][C@H]1CCN(C)[C@@H](C)C1 228687541 1169381612 /nfs/dbraw/zinc/38/16/12/1169381612.db2.gz XRPWXEHJAFWPFX-RYUDHWBXSA-N 1 1 194.322 1.472 10 30 ADEEMO CC#CCC[NH2+][C@@H]1CCN(C)[C@@H](C)C1 228687528 1169384047 /nfs/dbraw/zinc/38/40/47/1169384047.db2.gz XRPWXEHJAFWPFX-NWDGAFQWSA-N 1 1 194.322 1.472 10 30 ADEEMO C#CCCC[NH2+][C@@H]1CCCN(C)CC1 230171725 1169395421 /nfs/dbraw/zinc/39/54/21/1169395421.db2.gz HYPWJPIHWVAZMG-GFCCVEGCSA-N 1 1 194.322 1.474 10 30 ADEEMO C#CCCC[N@@H+](CC)CCCN(C)C 230729428 1169402128 /nfs/dbraw/zinc/40/21/28/1169402128.db2.gz IEVZKCNUZMEPRJ-UHFFFAOYSA-N 1 1 196.338 1.673 10 30 ADEEMO CC[C@H](CC#N)[N@H+]1CC[C@@H](C)[C@@H](O)C1 230249170 1169396621 /nfs/dbraw/zinc/39/66/21/1169396621.db2.gz DCYJNCKFPXFMPV-MXWKQRLJSA-N 1 1 196.294 1.381 10 30 ADEEMO CC[C@H](CC#N)[N@H+]1CCC[C@@H](OC)C1 230249597 1169396692 /nfs/dbraw/zinc/39/66/92/1169396692.db2.gz JNCCAMMWDVGUKY-GHMZBOCLSA-N 1 1 196.294 1.789 10 30 ADEEMO CC[C@@H](CC#N)[N@H+]1CCC[C@@H](OC)C1 230249592 1169396968 /nfs/dbraw/zinc/39/69/68/1169396968.db2.gz JNCCAMMWDVGUKY-WDEREUQCSA-N 1 1 196.294 1.789 10 30 ADEEMO C#CCCC[NH2+][C@H]1CCCN(C)CC1 230171728 1169397016 /nfs/dbraw/zinc/39/70/16/1169397016.db2.gz HYPWJPIHWVAZMG-LBPRGKRZSA-N 1 1 194.322 1.474 10 30 ADEEMO C#CCCC[N@H+](CC)CCCN(C)C 230729428 1169402144 /nfs/dbraw/zinc/40/21/44/1169402144.db2.gz IEVZKCNUZMEPRJ-UHFFFAOYSA-N 1 1 196.338 1.673 10 30 ADEEMO CC#CCC[NH2+]Cc1ncc(C)o1 231651764 1169404685 /nfs/dbraw/zinc/40/46/85/1169404685.db2.gz WUEPDVXJOWJZJK-UHFFFAOYSA-N 1 1 178.235 1.486 10 30 ADEEMO CC[C@@H](CC#N)[N@H+]1CC[C@@H](OC)C1 233866741 1169412505 /nfs/dbraw/zinc/41/25/05/1169412505.db2.gz PVENGLFBSKMTTN-VHSXEESVSA-N 1 1 182.267 1.399 10 30 ADEEMO CC[C@H](CC#N)[N@H+](C)[C@H]1CCOC1 251304189 1169428734 /nfs/dbraw/zinc/42/87/34/1169428734.db2.gz CCPNFNMDAVFBPN-ZJUUUORDSA-N 1 1 182.267 1.399 10 30 ADEEMO CC[C@H](CC#N)[N@@H+](C)[C@H]1CCOC1 251304189 1169428738 /nfs/dbraw/zinc/42/87/38/1169428738.db2.gz CCPNFNMDAVFBPN-ZJUUUORDSA-N 1 1 182.267 1.399 10 30 ADEEMO CC[C@@H](CC#N)[N@H+](C)[C@H]1CCOC1 251304187 1169429450 /nfs/dbraw/zinc/42/94/50/1169429450.db2.gz CCPNFNMDAVFBPN-UWVGGRQHSA-N 1 1 182.267 1.399 10 30 ADEEMO CC[C@@H](CC#N)[N@@H+](C)[C@H]1CCOC1 251304187 1169429455 /nfs/dbraw/zinc/42/94/55/1169429455.db2.gz CCPNFNMDAVFBPN-UWVGGRQHSA-N 1 1 182.267 1.399 10 30 ADEEMO CC[C@H](C)[N@H+]1CC[C@@H](C#N)C1 251744198 1169430966 /nfs/dbraw/zinc/43/09/66/1169430966.db2.gz GLJNVLBVLKNJKK-IUCAKERBSA-N 1 1 152.241 1.630 10 30 ADEEMO CC[C@@H](C)[N@H+]1CC[C@@H](C#N)C1 251744195 1169432330 /nfs/dbraw/zinc/43/23/30/1169432330.db2.gz GLJNVLBVLKNJKK-BDAKNGLRSA-N 1 1 152.241 1.630 10 30 ADEEMO CC[C@H](CC#N)[N@H+]1CC[C@@H](O)[C@H](C)C1 253207167 1169435976 /nfs/dbraw/zinc/43/59/76/1169435976.db2.gz XNTFVHNCOLVRRE-GMTAPVOTSA-N 1 1 196.294 1.381 10 30 ADEEMO CC[C@H](CC#N)[N@H+]1CCC[C@](C)(O)C1 253072536 1169436343 /nfs/dbraw/zinc/43/63/43/1169436343.db2.gz OCSDCPSRICOUSY-MNOVXSKESA-N 1 1 196.294 1.525 10 30 ADEEMO CC[C@@H](CC#N)[N@H+]1CCC[C@](C)(O)C1 253072537 1169436466 /nfs/dbraw/zinc/43/64/66/1169436466.db2.gz OCSDCPSRICOUSY-QWRGUYRKSA-N 1 1 196.294 1.525 10 30 ADEEMO CC[C@H](CC#N)[N@H+]1CC[C@H](O)[C@@H](C)C1 253207166 1169437290 /nfs/dbraw/zinc/43/72/90/1169437290.db2.gz XNTFVHNCOLVRRE-AXFHLTTASA-N 1 1 196.294 1.381 10 30 ADEEMO N#C[C@@H]1CC[N@@H+]([C@@H]2CCCOC2)C1 259712065 1169441639 /nfs/dbraw/zinc/44/16/39/1169441639.db2.gz MEQOSWIIRWJNLW-VHSXEESVSA-N 1 1 180.251 1.011 10 30 ADEEMO N#C[C@@H]1CC[N@H+]([C@@H]2CCCOC2)C1 259712065 1169441645 /nfs/dbraw/zinc/44/16/45/1169441645.db2.gz MEQOSWIIRWJNLW-VHSXEESVSA-N 1 1 180.251 1.011 10 30 ADEEMO N#C[C@@H]1CCC[N@@H+]([C@H]2CCCOC2)C1 259730461 1169441746 /nfs/dbraw/zinc/44/17/46/1169441746.db2.gz PDRAXWBBGOGFLE-QWRGUYRKSA-N 1 1 194.278 1.401 10 30 ADEEMO N#C[C@@H]1CCC[N@H+]([C@H]2CCCOC2)C1 259730461 1169441749 /nfs/dbraw/zinc/44/17/49/1169441749.db2.gz PDRAXWBBGOGFLE-QWRGUYRKSA-N 1 1 194.278 1.401 10 30 ADEEMO N#C[C@H]1CC[N@H+]([C@H]2CCSC2)C1 259783166 1169442278 /nfs/dbraw/zinc/44/22/78/1169442278.db2.gz SHZUQUPVLBUDJN-BDAKNGLRSA-N 1 1 182.292 1.337 10 30 ADEEMO N#C[C@H]1CC[N@H+](C2CCSCC2)C1 259846504 1169442442 /nfs/dbraw/zinc/44/24/42/1169442442.db2.gz ZBSCYVRDSKFLLJ-SECBINFHSA-N 1 1 196.319 1.727 10 30 ADEEMO N#C[C@@H]1CC[N@H+]([C@@H]2CCSC2)C1 259783169 1169442650 /nfs/dbraw/zinc/44/26/50/1169442650.db2.gz SHZUQUPVLBUDJN-DTWKUNHWSA-N 1 1 182.292 1.337 10 30 ADEEMO N#C[C@H]1CC[N@@H+]([C@@H]2CCCOC2)C1 259712058 1169442990 /nfs/dbraw/zinc/44/29/90/1169442990.db2.gz MEQOSWIIRWJNLW-NXEZZACHSA-N 1 1 180.251 1.011 10 30 ADEEMO N#C[C@H]1CC[N@H+]([C@@H]2CCCOC2)C1 259712058 1169442994 /nfs/dbraw/zinc/44/29/94/1169442994.db2.gz MEQOSWIIRWJNLW-NXEZZACHSA-N 1 1 180.251 1.011 10 30 ADEEMO N#C[C@@H]1CC[N@@H+]([C@H]2CCCOC2)C1 259712061 1169443053 /nfs/dbraw/zinc/44/30/53/1169443053.db2.gz MEQOSWIIRWJNLW-UWVGGRQHSA-N 1 1 180.251 1.011 10 30 ADEEMO N#C[C@@H]1CC[N@H+]([C@H]2CCCOC2)C1 259712061 1169443056 /nfs/dbraw/zinc/44/30/56/1169443056.db2.gz MEQOSWIIRWJNLW-UWVGGRQHSA-N 1 1 180.251 1.011 10 30 ADEEMO N#C[C@H]1CCC[N@@H+]([C@H]2CCCOC2)C1 259730458 1169443185 /nfs/dbraw/zinc/44/31/85/1169443185.db2.gz PDRAXWBBGOGFLE-MNOVXSKESA-N 1 1 194.278 1.401 10 30 ADEEMO N#C[C@H]1CCC[N@H+]([C@H]2CCCOC2)C1 259730458 1169443192 /nfs/dbraw/zinc/44/31/92/1169443192.db2.gz PDRAXWBBGOGFLE-MNOVXSKESA-N 1 1 194.278 1.401 10 30 ADEEMO N#C[C@@H]1CC[N@H+](C2CCSCC2)C1 259846506 1169443311 /nfs/dbraw/zinc/44/33/11/1169443311.db2.gz ZBSCYVRDSKFLLJ-VIFPVBQESA-N 1 1 196.319 1.727 10 30 ADEEMO N#C[C@H]1CC[N@H+]([C@@H]2CCSC2)C1 259783174 1169443372 /nfs/dbraw/zinc/44/33/72/1169443372.db2.gz SHZUQUPVLBUDJN-RKDXNWHRSA-N 1 1 182.292 1.337 10 30 ADEEMO N#C[C@H]1CC[N@@H+]([C@H]2CCCOC2)C1 259712069 1169443533 /nfs/dbraw/zinc/44/35/33/1169443533.db2.gz MEQOSWIIRWJNLW-ZJUUUORDSA-N 1 1 180.251 1.011 10 30 ADEEMO N#C[C@H]1CC[N@H+]([C@H]2CCCOC2)C1 259712069 1169443539 /nfs/dbraw/zinc/44/35/39/1169443539.db2.gz MEQOSWIIRWJNLW-ZJUUUORDSA-N 1 1 180.251 1.011 10 30 ADEEMO N#C[C@@H]1CC[N@H+]([C@H]2CCSC2)C1 259783172 1169443626 /nfs/dbraw/zinc/44/36/26/1169443626.db2.gz SHZUQUPVLBUDJN-IUCAKERBSA-N 1 1 182.292 1.337 10 30 ADEEMO N#C[C@@H]1CC[N@@H+](C[C@@H]2CCCOC2)C1 260000947 1169444659 /nfs/dbraw/zinc/44/46/59/1169444659.db2.gz LTMJIZBZPSMAIC-QWRGUYRKSA-N 1 1 194.278 1.258 10 30 ADEEMO N#C[C@H]1CCC[N@@H+]([C@@H]2CCSC2)C1 259913405 1169444769 /nfs/dbraw/zinc/44/47/69/1169444769.db2.gz JOCGXXYQWOFQID-NXEZZACHSA-N 1 1 196.319 1.727 10 30 ADEEMO N#C[C@H]1CCC[N@H+]([C@@H]2CCSC2)C1 259913405 1169444773 /nfs/dbraw/zinc/44/47/73/1169444773.db2.gz JOCGXXYQWOFQID-NXEZZACHSA-N 1 1 196.319 1.727 10 30 ADEEMO CC(C)[N@H+]1CC[C@@H](OCCC#N)C1 259954445 1169444883 /nfs/dbraw/zinc/44/48/83/1169444883.db2.gz FZELHLZJUOPYQE-SNVBAGLBSA-N 1 1 182.267 1.399 10 30 ADEEMO CC(C)[N@H+]1CCC[C@@H](OCC#N)C1 259882415 1169445075 /nfs/dbraw/zinc/44/50/75/1169445075.db2.gz BKBKQAIRIZUUNN-SNVBAGLBSA-N 1 1 182.267 1.399 10 30 ADEEMO CC[N@@H+](C)[C@@H]1CC[C@@H](C#N)C1 259951766 1169444978 /nfs/dbraw/zinc/44/49/78/1169444978.db2.gz LEXGQPDHHXURRY-RKDXNWHRSA-N 1 1 152.241 1.630 10 30 ADEEMO CC(C)[N@H+]1CCC[C@@H](OCCC#N)C1 259998516 1169445035 /nfs/dbraw/zinc/44/50/35/1169445035.db2.gz ISSODYIABUVTEP-LLVKDONJSA-N 1 1 196.294 1.789 10 30 ADEEMO C[N@H+]1CCC[C@H](N2CCC[C@H]2C#N)C1 259931479 1169445192 /nfs/dbraw/zinc/44/51/92/1169445192.db2.gz KKHNIGDEBZQTIX-QWRGUYRKSA-N 1 1 193.294 1.069 10 30 ADEEMO CC[N@@H+](C)[C@@H]1CC[C@H](C#N)C1 259951732 1169445327 /nfs/dbraw/zinc/44/53/27/1169445327.db2.gz LEXGQPDHHXURRY-DTWKUNHWSA-N 1 1 152.241 1.630 10 30 ADEEMO CC[N@@H+](C)[C@H]1CC[C@H](C#N)C1 259951749 1169445357 /nfs/dbraw/zinc/44/53/57/1169445357.db2.gz LEXGQPDHHXURRY-IUCAKERBSA-N 1 1 152.241 1.630 10 30 ADEEMO C[N@H+]1CCC[C@@H](N2CCC[C@H]2C#N)C1 259931482 1169445378 /nfs/dbraw/zinc/44/53/78/1169445378.db2.gz KKHNIGDEBZQTIX-WDEREUQCSA-N 1 1 193.294 1.069 10 30 ADEEMO C[N@H+]1CC[C@H](N2CCCC[C@@H]2C#N)C1 259923835 1169445404 /nfs/dbraw/zinc/44/54/04/1169445404.db2.gz KCUWNLIJMKAECR-MNOVXSKESA-N 1 1 193.294 1.069 10 30 ADEEMO C[N@H+]1CC[C@@H](N2CCCC[C@H]2C#N)C1 259923843 1169445441 /nfs/dbraw/zinc/44/54/41/1169445441.db2.gz KCUWNLIJMKAECR-WDEREUQCSA-N 1 1 193.294 1.069 10 30 ADEEMO N#C[C@@H]1CC[N@@H+](C[C@H]2CCCOC2)C1 260000948 1169445487 /nfs/dbraw/zinc/44/54/87/1169445487.db2.gz LTMJIZBZPSMAIC-WDEREUQCSA-N 1 1 194.278 1.258 10 30 ADEEMO N#C[C@H]1CC[N@@H+](C[C@H]2CCCOC2)C1 260000933 1169445698 /nfs/dbraw/zinc/44/56/98/1169445698.db2.gz LTMJIZBZPSMAIC-GHMZBOCLSA-N 1 1 194.278 1.258 10 30 ADEEMO CC(C)[N@H+]1CCC[C@H](OCCC#N)C1 259998518 1169445811 /nfs/dbraw/zinc/44/58/11/1169445811.db2.gz ISSODYIABUVTEP-NSHDSACASA-N 1 1 196.294 1.789 10 30 ADEEMO N#C[C@@H]1CCC[N@@H+]([C@@H]2CCSC2)C1 259913448 1169446133 /nfs/dbraw/zinc/44/61/33/1169446133.db2.gz JOCGXXYQWOFQID-VHSXEESVSA-N 1 1 196.319 1.727 10 30 ADEEMO N#C[C@@H]1CCC[N@H+]([C@@H]2CCSC2)C1 259913448 1169446139 /nfs/dbraw/zinc/44/61/39/1169446139.db2.gz JOCGXXYQWOFQID-VHSXEESVSA-N 1 1 196.319 1.727 10 30 ADEEMO N#C[C@H]1CC[N@@H+](C[C@@H]2CCCOC2)C1 260000940 1169446169 /nfs/dbraw/zinc/44/61/69/1169446169.db2.gz LTMJIZBZPSMAIC-MNOVXSKESA-N 1 1 194.278 1.258 10 30 ADEEMO N#C[C@H]1CCC[N@@H+]([C@H]2CCSC2)C1 259913466 1169446199 /nfs/dbraw/zinc/44/61/99/1169446199.db2.gz JOCGXXYQWOFQID-ZJUUUORDSA-N 1 1 196.319 1.727 10 30 ADEEMO CC(C)[N@H+]1CC[C@H](OCCC#N)C1 259954441 1169446188 /nfs/dbraw/zinc/44/61/88/1169446188.db2.gz FZELHLZJUOPYQE-JTQLQIEISA-N 1 1 182.267 1.399 10 30 ADEEMO N#C[C@H]1CCC[N@H+]([C@H]2CCSC2)C1 259913466 1169446203 /nfs/dbraw/zinc/44/62/03/1169446203.db2.gz JOCGXXYQWOFQID-ZJUUUORDSA-N 1 1 196.319 1.727 10 30 ADEEMO C[N@H+]1CC[C@@H](N2CCCC[C@@H]2C#N)C1 259923832 1169446237 /nfs/dbraw/zinc/44/62/37/1169446237.db2.gz KCUWNLIJMKAECR-GHMZBOCLSA-N 1 1 193.294 1.069 10 30 ADEEMO CC(C)[NH+]1CC(OCCC#N)C1 259991996 1169446302 /nfs/dbraw/zinc/44/63/02/1169446302.db2.gz IHTPZKJUIBGXBO-UHFFFAOYSA-N 1 1 168.240 1.009 10 30 ADEEMO N#C[C@H]1CC[N@@H+](CCC2CC2)C1 259883882 1169446484 /nfs/dbraw/zinc/44/64/84/1169446484.db2.gz DMHIKPYPRIIJEY-SNVBAGLBSA-N 1 1 164.252 1.632 10 30 ADEEMO C[N@H+]1CC[C@H](N2CCCC[C@H]2C#N)C1 259923840 1169446603 /nfs/dbraw/zinc/44/66/03/1169446603.db2.gz KCUWNLIJMKAECR-QWRGUYRKSA-N 1 1 193.294 1.069 10 30 ADEEMO N#C[C@@H]1CC[N@@H+](CCC2CC2)C1 259883881 1169446661 /nfs/dbraw/zinc/44/66/61/1169446661.db2.gz DMHIKPYPRIIJEY-JTQLQIEISA-N 1 1 164.252 1.632 10 30 ADEEMO CC[N@@H+](C)[C@H]1CC[C@@H](C#N)C1 259951720 1169446757 /nfs/dbraw/zinc/44/67/57/1169446757.db2.gz LEXGQPDHHXURRY-BDAKNGLRSA-N 1 1 152.241 1.630 10 30 ADEEMO N#C[C@@H]1CCC[N@@H+]([C@H]2CCSC2)C1 259913429 1169446865 /nfs/dbraw/zinc/44/68/65/1169446865.db2.gz JOCGXXYQWOFQID-UWVGGRQHSA-N 1 1 196.319 1.727 10 30 ADEEMO N#C[C@@H]1CCC[N@H+]([C@H]2CCSC2)C1 259913429 1169446867 /nfs/dbraw/zinc/44/68/67/1169446867.db2.gz JOCGXXYQWOFQID-UWVGGRQHSA-N 1 1 196.319 1.727 10 30 ADEEMO CC(C)[N@H+]1CCC[C@H](OCC#N)C1 259882414 1169446936 /nfs/dbraw/zinc/44/69/36/1169446936.db2.gz BKBKQAIRIZUUNN-JTQLQIEISA-N 1 1 182.267 1.399 10 30 ADEEMO CC(C)[N@H+]1CC[C@@H](OCC#N)C1 260365527 1169447475 /nfs/dbraw/zinc/44/74/75/1169447475.db2.gz ZXVFJNVJJXXQNJ-SECBINFHSA-N 1 1 168.240 1.009 10 30 ADEEMO C[N@@H+]1CC=C(CCCC#N)CC1 260517813 1169447556 /nfs/dbraw/zinc/44/75/56/1169447556.db2.gz WTBKZODNKPQDRI-UHFFFAOYSA-N 1 1 164.252 1.942 10 30 ADEEMO C[N@H+]1CCC=C(CCCC#N)C1 260322072 1169447842 /nfs/dbraw/zinc/44/78/42/1169447842.db2.gz NEYYMBXLRKUFKA-UHFFFAOYSA-N 1 1 164.252 1.942 10 30 ADEEMO CCC1(C[N@H+]2CC[C@@H](C#N)C2)COC1 260414809 1169448561 /nfs/dbraw/zinc/44/85/61/1169448561.db2.gz CICQFBXIKQPRKK-JTQLQIEISA-N 1 1 194.278 1.258 10 30 ADEEMO C[N@H+]1CCC=C(CCC#N)C1 260394059 1169449066 /nfs/dbraw/zinc/44/90/66/1169449066.db2.gz QHYRFOYHISEULX-UHFFFAOYSA-N 1 1 150.225 1.552 10 30 ADEEMO CC(C)[N@H+]1CC[C@H](OCC#N)C1 260365532 1169449200 /nfs/dbraw/zinc/44/92/00/1169449200.db2.gz ZXVFJNVJJXXQNJ-VIFPVBQESA-N 1 1 168.240 1.009 10 30 ADEEMO CC(C)(C)C[N@H+]1CC[C@@H](C#N)C1 260192022 1169449377 /nfs/dbraw/zinc/44/93/77/1169449377.db2.gz UULHMLMMKCIRBJ-VIFPVBQESA-N 1 1 166.268 1.878 10 30 ADEEMO CCC1(C[N@H+]2CC[C@H](C#N)C2)COC1 260414813 1169449550 /nfs/dbraw/zinc/44/95/50/1169449550.db2.gz CICQFBXIKQPRKK-SNVBAGLBSA-N 1 1 194.278 1.258 10 30 ADEEMO CC(C)(C)C[N@H+]1CC[C@H](C#N)C1 260192016 1169449699 /nfs/dbraw/zinc/44/96/99/1169449699.db2.gz UULHMLMMKCIRBJ-SECBINFHSA-N 1 1 166.268 1.878 10 30 ADEEMO N#C[C@H]1CC[N@@H+](CC2CCC2)C1 261002200 1169450465 /nfs/dbraw/zinc/45/04/65/1169450465.db2.gz SXARSRVCUADRES-SNVBAGLBSA-N 1 1 164.252 1.632 10 30 ADEEMO COCC[N@H+]1CCC[C@@H](C#N)CC1 260946817 1169450521 /nfs/dbraw/zinc/45/05/21/1169450521.db2.gz GDDWLOGEVIATHH-SNVBAGLBSA-N 1 1 182.267 1.258 10 30 ADEEMO Cc1ccc(C[NH+](C)C)c(C#N)c1 260865930 1169450635 /nfs/dbraw/zinc/45/06/35/1169450635.db2.gz WYDOVSPHCZCKJA-UHFFFAOYSA-N 1 1 174.247 1.928 10 30 ADEEMO COCC[N@H+]1CCC[C@H](C#N)CC1 260946816 1169450648 /nfs/dbraw/zinc/45/06/48/1169450648.db2.gz GDDWLOGEVIATHH-JTQLQIEISA-N 1 1 182.267 1.258 10 30 ADEEMO C[C@@H]1COCC[N@H+]1[C@@H]1CC[C@@H](C#N)C1 260944978 1169451044 /nfs/dbraw/zinc/45/10/44/1169451044.db2.gz LDDUWEAUKRWILZ-GMTAPVOTSA-N 1 1 194.278 1.399 10 30 ADEEMO N#Cc1cc(C[NH+]2CCC2)ccc1F 260690811 1169451875 /nfs/dbraw/zinc/45/18/75/1169451875.db2.gz JXFMVSFUVONQMQ-UHFFFAOYSA-N 1 1 190.221 1.903 10 30 ADEEMO C[C@@H]1COCC[N@H+]1[C@H]1CC[C@@H](C#N)C1 260944980 1169452294 /nfs/dbraw/zinc/45/22/94/1169452294.db2.gz LDDUWEAUKRWILZ-MXWKQRLJSA-N 1 1 194.278 1.399 10 30 ADEEMO COCCC[N@H+]1CCC[C@H](C#N)CC1 261008640 1169452338 /nfs/dbraw/zinc/45/23/38/1169452338.db2.gz VONXRQXOFHYSNM-NSHDSACASA-N 1 1 196.294 1.649 10 30 ADEEMO N#C[C@@H]1CC[N@@H+](CC2CCC2)C1 261002199 1169452382 /nfs/dbraw/zinc/45/23/82/1169452382.db2.gz SXARSRVCUADRES-JTQLQIEISA-N 1 1 164.252 1.632 10 30 ADEEMO C[C@@H]1COCC[N@H+]1[C@H]1CC[C@H](C#N)C1 260944983 1169452446 /nfs/dbraw/zinc/45/24/46/1169452446.db2.gz LDDUWEAUKRWILZ-VWYCJHECSA-N 1 1 194.278 1.399 10 30 ADEEMO CC[C@H](CC#N)[N@@H+]1C[C@H]2C[C@H]2C1 261123025 1169454332 /nfs/dbraw/zinc/45/43/32/1169454332.db2.gz JVKYLKPHMGIUGZ-KXUCPTDWSA-N 1 1 164.252 1.630 10 30 ADEEMO C[C@@H]1COCC[N@H+]1[C@@H]1CC[C@H](C#N)C1 260944982 1169452998 /nfs/dbraw/zinc/45/29/98/1169452998.db2.gz LDDUWEAUKRWILZ-OUAUKWLOSA-N 1 1 194.278 1.399 10 30 ADEEMO COCCC[N@H+]1CCC[C@@H](C#N)CC1 261008639 1169453028 /nfs/dbraw/zinc/45/30/28/1169453028.db2.gz VONXRQXOFHYSNM-LLVKDONJSA-N 1 1 196.294 1.649 10 30 ADEEMO CN(CCC#N)[C@@H]1CCC[N@@H+](C)CC1 261127422 1169453838 /nfs/dbraw/zinc/45/38/38/1169453838.db2.gz LCTRLGRMTVHHAP-LLVKDONJSA-N 1 1 195.310 1.316 10 30 ADEEMO C[N@@H+](C1CC1)[C@@H]1CC[C@H](C#N)C1 261122341 1169453965 /nfs/dbraw/zinc/45/39/65/1169453965.db2.gz HMLAKBHXNKSLCL-WCBMZHEXSA-N 1 1 164.252 1.773 10 30 ADEEMO C[N@H+]1CCC[C@@H](OCCC#N)CC1 261080467 1169454055 /nfs/dbraw/zinc/45/40/55/1169454055.db2.gz RTILLNDVDUUJRZ-SNVBAGLBSA-N 1 1 182.267 1.401 10 30 ADEEMO CCN(CCC#N)[C@H]1CCC[N@@H+](C)C1 261165025 1169454240 /nfs/dbraw/zinc/45/42/40/1169454240.db2.gz YCNAAFUUJBKLBT-NSHDSACASA-N 1 1 195.310 1.316 10 30 ADEEMO C[N@H+]1CCC[C@H](OCCC#N)CC1 261080465 1169454461 /nfs/dbraw/zinc/45/44/61/1169454461.db2.gz RTILLNDVDUUJRZ-JTQLQIEISA-N 1 1 182.267 1.401 10 30 ADEEMO C[NH+](C)Cc1ccc(C#N)cc1O 261098154 1169454485 /nfs/dbraw/zinc/45/44/85/1169454485.db2.gz XNXADXGYKXHAQB-UHFFFAOYSA-N 1 1 176.219 1.325 10 30 ADEEMO C[N@@H+](C1CC1)[C@@H]1CC[C@@H](C#N)C1 261122333 1169454699 /nfs/dbraw/zinc/45/46/99/1169454699.db2.gz HMLAKBHXNKSLCL-PSASIEDQSA-N 1 1 164.252 1.773 10 30 ADEEMO C[N@H+]1CCC[C@@H](OCC#N)CC1 261061743 1169454866 /nfs/dbraw/zinc/45/48/66/1169454866.db2.gz MQXRRWGAXGVTKN-SECBINFHSA-N 1 1 168.240 1.011 10 30 ADEEMO C[N@@H+](CCO)C1CCC(CC#N)CC1 261130906 1169454890 /nfs/dbraw/zinc/45/48/90/1169454890.db2.gz KGKZGRVPZDZPMT-UHFFFAOYSA-N 1 1 196.294 1.383 10 30 ADEEMO N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H]2CO)C1 261155901 1169454946 /nfs/dbraw/zinc/45/49/46/1169454946.db2.gz VEKITWABVOUJEU-GMTAPVOTSA-N 1 1 194.278 1.135 10 30 ADEEMO C[N@@H+](C1CC1)[C@H]1CC[C@@H](C#N)C1 261122338 1169455028 /nfs/dbraw/zinc/45/50/28/1169455028.db2.gz HMLAKBHXNKSLCL-SCZZXKLOSA-N 1 1 164.252 1.773 10 30 ADEEMO C[N@H+]1CCC[C@H](OCC#N)CC1 261061745 1169455037 /nfs/dbraw/zinc/45/50/37/1169455037.db2.gz MQXRRWGAXGVTKN-VIFPVBQESA-N 1 1 168.240 1.011 10 30 ADEEMO CN(CCC#N)[C@H]1CCC[N@@H+](C)CC1 261127423 1169455091 /nfs/dbraw/zinc/45/50/91/1169455091.db2.gz LCTRLGRMTVHHAP-NSHDSACASA-N 1 1 195.310 1.316 10 30 ADEEMO CCN(CCC#N)[C@@H]1CCC[N@@H+](C)C1 261165024 1169455142 /nfs/dbraw/zinc/45/51/42/1169455142.db2.gz YCNAAFUUJBKLBT-LLVKDONJSA-N 1 1 195.310 1.316 10 30 ADEEMO C[N@@H+](C1CC1)[C@H]1CC[C@H](C#N)C1 261122345 1169455335 /nfs/dbraw/zinc/45/53/35/1169455335.db2.gz HMLAKBHXNKSLCL-WPRPVWTQSA-N 1 1 164.252 1.773 10 30 ADEEMO N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H]2CO)C1 261155905 1169455502 /nfs/dbraw/zinc/45/55/02/1169455502.db2.gz VEKITWABVOUJEU-MXWKQRLJSA-N 1 1 194.278 1.135 10 30 ADEEMO CC[N@H+](CCC#N)[C@H]1CCSC1 261159690 1169455534 /nfs/dbraw/zinc/45/55/34/1169455534.db2.gz WPOIWAROCYYUGX-VIFPVBQESA-N 1 1 184.308 1.727 10 30 ADEEMO CC[N@@H+](CCC#N)[C@H]1CCSC1 261159690 1169455537 /nfs/dbraw/zinc/45/55/37/1169455537.db2.gz WPOIWAROCYYUGX-VIFPVBQESA-N 1 1 184.308 1.727 10 30 ADEEMO CC[C@@H](CC#N)[N@@H+]1C[C@H]2C[C@H]2C1 261123024 1169455596 /nfs/dbraw/zinc/45/55/96/1169455596.db2.gz JVKYLKPHMGIUGZ-AEJSXWLSSA-N 1 1 164.252 1.630 10 30 ADEEMO N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H]2CO)C1 261155909 1169455828 /nfs/dbraw/zinc/45/58/28/1169455828.db2.gz VEKITWABVOUJEU-OUAUKWLOSA-N 1 1 194.278 1.135 10 30 ADEEMO N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H]2CO)C1 261155912 1169455899 /nfs/dbraw/zinc/45/58/99/1169455899.db2.gz VEKITWABVOUJEU-VWYCJHECSA-N 1 1 194.278 1.135 10 30 ADEEMO N#CC1CCC([N@H+]2CC[C@@H](O)C2)CC1 261047445 1169455915 /nfs/dbraw/zinc/45/59/15/1169455915.db2.gz FABCTMYENIWLEM-VQXHTEKXSA-N 1 1 194.278 1.135 10 30 ADEEMO CC[N@H+](CCC#N)[C@@H]1CCSC1 261159689 1169455932 /nfs/dbraw/zinc/45/59/32/1169455932.db2.gz WPOIWAROCYYUGX-SECBINFHSA-N 1 1 184.308 1.727 10 30 ADEEMO CC[N@@H+](CCC#N)[C@@H]1CCSC1 261159689 1169455944 /nfs/dbraw/zinc/45/59/44/1169455944.db2.gz WPOIWAROCYYUGX-SECBINFHSA-N 1 1 184.308 1.727 10 30 ADEEMO N#Cc1ccccc1C[NH+]1CCC1 261306243 1169456978 /nfs/dbraw/zinc/45/69/78/1169456978.db2.gz ULXUHQDJALRSNC-UHFFFAOYSA-N 1 1 172.231 1.764 10 30 ADEEMO N#Cc1cccc(C[NH+]2CCC2)n1 261306465 1169457013 /nfs/dbraw/zinc/45/70/13/1169457013.db2.gz URFKLKSOBLFFSV-UHFFFAOYSA-N 1 1 173.219 1.159 10 30 ADEEMO N#Cc1ccnc(C[NH+]2CCC2)c1 261313101 1169457701 /nfs/dbraw/zinc/45/77/01/1169457701.db2.gz YXTQEKUPNCZEON-UHFFFAOYSA-N 1 1 173.219 1.159 10 30 ADEEMO CC[C@H](CC#N)[N@H+]1CC[C@](C)(O)C1 300034946 1169458882 /nfs/dbraw/zinc/45/88/82/1169458882.db2.gz WQHKOQANXQPFJN-ZJUUUORDSA-N 1 1 182.267 1.135 10 30 ADEEMO CC[C@H](CC#N)[N@H+]1CCC[C@H](OC)C1 299908404 1169458923 /nfs/dbraw/zinc/45/89/23/1169458923.db2.gz JNCCAMMWDVGUKY-MNOVXSKESA-N 1 1 196.294 1.789 10 30 ADEEMO CC[C@@H](CC#N)[N@H+]1CCC[C@H](OC)C1 299908405 1169458981 /nfs/dbraw/zinc/45/89/81/1169458981.db2.gz JNCCAMMWDVGUKY-QWRGUYRKSA-N 1 1 196.294 1.789 10 30 ADEEMO CC[C@@H](CC#N)[N@H+]1CC[C@](C)(O)C1 300034945 1169459797 /nfs/dbraw/zinc/45/97/97/1169459797.db2.gz WQHKOQANXQPFJN-UWVGGRQHSA-N 1 1 182.267 1.135 10 30 ADEEMO C[N@@H+]1CC[C@H](NCC#CC(C)(C)C)C1 300774395 1169461038 /nfs/dbraw/zinc/46/10/38/1169461038.db2.gz QHHSWQLMRBVSQG-NSHDSACASA-N 1 1 194.322 1.330 10 30 ADEEMO C[N@H+]1CC[C@H](NCC#CC(C)(C)C)C1 300774395 1169461041 /nfs/dbraw/zinc/46/10/41/1169461041.db2.gz QHHSWQLMRBVSQG-NSHDSACASA-N 1 1 194.322 1.330 10 30 ADEEMO C=C(C)CC[N@H+]1CCN(C)[C@H](C)C1 306258908 1169469506 /nfs/dbraw/zinc/46/95/06/1169469506.db2.gz SKGCNGGAPOBTLD-LLVKDONJSA-N 1 1 182.311 1.589 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)CCC=C 306331428 1169472314 /nfs/dbraw/zinc/47/23/14/1169472314.db2.gz QRJPSCQFIYSNDD-SECBINFHSA-N 1 1 137.226 1.516 10 30 ADEEMO C[N@@H+](CCC#N)[C@H]1CCCOCC1 306360362 1169474544 /nfs/dbraw/zinc/47/45/44/1169474544.db2.gz MMGSQUBTAXKDHY-JTQLQIEISA-N 1 1 182.267 1.401 10 30 ADEEMO C[N@@H+](CCC#N)[C@@H]1CCCOCC1 306360364 1169474980 /nfs/dbraw/zinc/47/49/80/1169474980.db2.gz MMGSQUBTAXKDHY-SNVBAGLBSA-N 1 1 182.267 1.401 10 30 ADEEMO C#CC(C)(C)[N@H+](C)CC 306363814 1169475319 /nfs/dbraw/zinc/47/53/19/1169475319.db2.gz ZIVMWSNPSZSOEL-UHFFFAOYSA-N 1 1 125.215 1.350 10 30 ADEEMO C#CC[N@H+](C)[C@H]1CC[C@@H](SC)C1 306478470 1169481975 /nfs/dbraw/zinc/48/19/75/1169481975.db2.gz BWAGWGQBUCJFLW-VHSXEESVSA-N 1 1 183.320 1.836 10 30 ADEEMO C#CC[N@H+](C)[C@@H]1CC[C@@H](SC)C1 306478466 1169482006 /nfs/dbraw/zinc/48/20/06/1169482006.db2.gz BWAGWGQBUCJFLW-NXEZZACHSA-N 1 1 183.320 1.836 10 30 ADEEMO C#CC[N@H+](C)[C@@H]1CC[C@H](SC)C1 306478472 1169482021 /nfs/dbraw/zinc/48/20/21/1169482021.db2.gz BWAGWGQBUCJFLW-ZJUUUORDSA-N 1 1 183.320 1.836 10 30 ADEEMO CC[C@H](CC#N)[N@H+]1CCOC[C@@H](C)C1 306871938 1169490598 /nfs/dbraw/zinc/49/05/98/1169490598.db2.gz YSTQGLCZZMKJAX-WDEREUQCSA-N 1 1 196.294 1.647 10 30 ADEEMO CC[C@@H](CC#N)[N@H+]1CCOC[C@@H](C)C1 306871937 1169490673 /nfs/dbraw/zinc/49/06/73/1169490673.db2.gz YSTQGLCZZMKJAX-QWRGUYRKSA-N 1 1 196.294 1.647 10 30 ADEEMO CC[C@@H](CC#N)[N@H+]1CCOC[C@H](C)C1 306871936 1169491207 /nfs/dbraw/zinc/49/12/07/1169491207.db2.gz YSTQGLCZZMKJAX-MNOVXSKESA-N 1 1 196.294 1.647 10 30 ADEEMO CC[C@H](CC#N)[N@H+]1CCOC[C@H](C)C1 306871935 1169492142 /nfs/dbraw/zinc/49/21/42/1169492142.db2.gz YSTQGLCZZMKJAX-GHMZBOCLSA-N 1 1 196.294 1.647 10 30 ADEEMO C#CCC[N@H+]1C[C@H]2CCCC[C@H]21 306953756 1169495731 /nfs/dbraw/zinc/49/57/31/1169495731.db2.gz MVXWSGBKJSFADN-GHMZBOCLSA-N 1 1 163.264 1.884 10 30 ADEEMO C#CC[N@@H+]1CC[C@H](C(F)(F)F)[C@@H]1C 306961151 1169496625 /nfs/dbraw/zinc/49/66/25/1169496625.db2.gz JDMUJPJZJLLRGP-YUMQZZPRSA-N 1 1 191.196 1.892 10 30 ADEEMO C#CC[N@H+](C)CC(=C)C 307084639 1169503358 /nfs/dbraw/zinc/50/33/58/1169503358.db2.gz WTCCIQUZQDYIFD-UHFFFAOYSA-N 1 1 123.199 1.128 10 30 ADEEMO C=CC[N@H+](C)C[C@H]1C[C@@H]1C 307335656 1169515088 /nfs/dbraw/zinc/51/50/88/1169515088.db2.gz GUZNWQRKXRPPKQ-DTWKUNHWSA-N 1 1 139.242 1.760 10 30 ADEEMO C=CC[N@@H+](C)CCF 307404961 1169518936 /nfs/dbraw/zinc/51/89/36/1169518936.db2.gz CSHCHYGYKGCNQG-UHFFFAOYSA-N 1 1 117.167 1.074 10 30 ADEEMO C#CC[N@H+](C)C1C[C@@H](C)O[C@H](C)C1 307403964 1169520920 /nfs/dbraw/zinc/52/09/20/1169520920.db2.gz CFYNUBDXTIODDF-NXEZZACHSA-N 1 1 181.279 1.507 10 30 ADEEMO C#CC[N@H+](C)C1C[C@H](C)O[C@@H](C)C1 307403971 1169521106 /nfs/dbraw/zinc/52/11/06/1169521106.db2.gz CFYNUBDXTIODDF-UWVGGRQHSA-N 1 1 181.279 1.507 10 30 ADEEMO C#CCCC[N@H+]1CCC[C@@H]2C[C@@H]21 307441259 1169521809 /nfs/dbraw/zinc/52/18/09/1169521809.db2.gz ZVMYVXCHEIPKGK-MNOVXSKESA-N 1 1 163.264 1.884 10 30 ADEEMO N#C[C@H]1CC[C@@H]([NH2+]Cc2c[nH]cn2)C1 307494129 1169523674 /nfs/dbraw/zinc/52/36/74/1169523674.db2.gz FFYOVVUZDMNIFK-DTWKUNHWSA-N 1 1 190.250 1.192 10 30 ADEEMO C[C@@H](C#N)NC1C[C@@H]2CC[C@H](C1)[N@H+]2C 307540737 1169525811 /nfs/dbraw/zinc/52/58/11/1169525811.db2.gz AHBYRRYTOGWHMM-OFLUOSHYSA-N 1 1 193.294 1.113 10 30 ADEEMO C[C@H](C#N)NC1C[C@@H]2CC[C@H](C1)[N@H+]2C 307540739 1169526794 /nfs/dbraw/zinc/52/67/94/1169526794.db2.gz AHBYRRYTOGWHMM-UBJLHIIHSA-N 1 1 193.294 1.113 10 30 ADEEMO C#C[C@H](CC)[NH2+][C@H]1CCn2ccnc21 307591685 1169530372 /nfs/dbraw/zinc/53/03/72/1169530372.db2.gz HPAOSABVBQVPML-ZJUUUORDSA-N 1 1 189.262 1.329 10 30 ADEEMO C#C[C@@H](CC)[NH2+][C@H]1CCn2ccnc21 307591683 1169532187 /nfs/dbraw/zinc/53/21/87/1169532187.db2.gz HPAOSABVBQVPML-UWVGGRQHSA-N 1 1 189.262 1.329 10 30 ADEEMO C#CCC[N@H+](C)CC=C 307636023 1169534523 /nfs/dbraw/zinc/53/45/23/1169534523.db2.gz WLVBWCPPTNDIJJ-UHFFFAOYSA-N 1 1 123.199 1.128 10 30 ADEEMO CC#CCN1CC[C@@H]([N@H+](C)CC)C1 307724882 1169538062 /nfs/dbraw/zinc/53/80/62/1169538062.db2.gz ZWDAHBBWNBAEET-LLVKDONJSA-N 1 1 180.295 1.036 10 30 ADEEMO C#CC[N@@H+](C)CC=C(C)C 307717485 1169540199 /nfs/dbraw/zinc/54/01/99/1169540199.db2.gz JNLBQSVNFGUBFP-UHFFFAOYSA-N 1 1 137.226 1.518 10 30 ADEEMO C=CC[N@H+](C)CC1(C)CC1 307726948 1169540512 /nfs/dbraw/zinc/54/05/12/1169540512.db2.gz DNMXEQXJVAWJIN-UHFFFAOYSA-N 1 1 139.242 1.904 10 30 ADEEMO C#CCC[N@@H+](C)CCC=C 307749073 1169542374 /nfs/dbraw/zinc/54/23/74/1169542374.db2.gz FFCFYTSUMDDIJS-UHFFFAOYSA-N 1 1 137.226 1.518 10 30 ADEEMO C=CCn1cc(C)[nH+]c1C 307753379 1169542412 /nfs/dbraw/zinc/54/24/12/1169542412.db2.gz VNVRGGMFGLFFOF-UHFFFAOYSA-N 1 1 136.198 1.686 10 30 ADEEMO C#CCCC[N@@H+]1CC[C@@H](CO)[C@H]1C 308228721 1169547299 /nfs/dbraw/zinc/54/72/99/1169547299.db2.gz FVYYHRVZXUSGOV-MNOVXSKESA-N 1 1 181.279 1.103 10 30 ADEEMO C[C@@H]1C[N@@H+](C)CC1=NOC1CCC1 308325141 1169549083 /nfs/dbraw/zinc/54/90/83/1169549083.db2.gz FHJNMPVYLNZLDV-MRVPVSSYSA-N 1 1 182.267 1.493 10 30 ADEEMO C#CCCC[N@@H+]1CCC[C@@H]1CF 378778901 1169562486 /nfs/dbraw/zinc/56/24/86/1169562486.db2.gz GNPVSMPCANWJTP-SNVBAGLBSA-N 1 1 169.243 1.834 10 30 ADEEMO C=CCC[C@@H](C)[N@@H+](C)CCO 379245150 1169564117 /nfs/dbraw/zinc/56/41/17/1169564117.db2.gz ZYAOSQBJUUYLCV-SECBINFHSA-N 1 1 157.257 1.265 10 30 ADEEMO C#CC[N@H+](C)[C@H](C)CCC=C 379230626 1169564249 /nfs/dbraw/zinc/56/42/49/1169564249.db2.gz OPNZMZJIIZDRGY-SNVBAGLBSA-N 1 1 151.253 1.906 10 30 ADEEMO C=CCC[C@H](C)[N@@H+](C)CCO 379245151 1169565109 /nfs/dbraw/zinc/56/51/09/1169565109.db2.gz ZYAOSQBJUUYLCV-VIFPVBQESA-N 1 1 157.257 1.265 10 30 ADEEMO C#CC[N@H+](C)[C@@H](C)CCC=C 379230625 1169565446 /nfs/dbraw/zinc/56/54/46/1169565446.db2.gz OPNZMZJIIZDRGY-JTQLQIEISA-N 1 1 151.253 1.906 10 30 ADEEMO C=CCC[N@@H+]1CC[C@H](CO)[C@@H]1C 379317847 1169567556 /nfs/dbraw/zinc/56/75/56/1169567556.db2.gz HZKQCLTZYDSJMN-VHSXEESVSA-N 1 1 169.268 1.265 10 30 ADEEMO C=CCC[C@H](O)C[N@H+](C)C(C)C 379313020 1169567793 /nfs/dbraw/zinc/56/77/93/1169567793.db2.gz DHCQJSZRBPHBHN-JTQLQIEISA-N 1 1 171.284 1.654 10 30 ADEEMO C=CCO[C@H]1CC[N@H+](C(C)C)C1 379322948 1169568394 /nfs/dbraw/zinc/56/83/94/1169568394.db2.gz MQEGVEWVNYMGNN-JTQLQIEISA-N 1 1 169.268 1.672 10 30 ADEEMO C=CC[N@H+](C)CC1(CC)COC1 379316892 1169568555 /nfs/dbraw/zinc/56/85/55/1169568555.db2.gz CJADMNGEQMBECB-UHFFFAOYSA-N 1 1 169.268 1.531 10 30 ADEEMO C=CCC[N@@H+]1CC[C@H](CO)[C@H]1C 379317845 1169569094 /nfs/dbraw/zinc/56/90/94/1169569094.db2.gz HZKQCLTZYDSJMN-NXEZZACHSA-N 1 1 169.268 1.265 10 30 ADEEMO C=CCCC[N@@H+]1CC[C@@H]([NH3+])[C@H]1C 379317901 1169569150 /nfs/dbraw/zinc/56/91/50/1169569150.db2.gz IGRFZSKAJSZAQP-NXEZZACHSA-N 1 1 168.284 1.374 10 30 ADEEMO C=CCC[C@@H](O)C[N@H+](C)C(C)C 379313021 1169569132 /nfs/dbraw/zinc/56/91/32/1169569132.db2.gz DHCQJSZRBPHBHN-SNVBAGLBSA-N 1 1 171.284 1.654 10 30 ADEEMO C=CCCC[N@H+]1CC[C@@H](N)[C@H]1C 379317901 1169569159 /nfs/dbraw/zinc/56/91/59/1169569159.db2.gz IGRFZSKAJSZAQP-NXEZZACHSA-N 1 1 168.284 1.374 10 30 ADEEMO C=CCCC[N@@H+]1CC[C@@H](N)[C@H]1C 379317901 1169569164 /nfs/dbraw/zinc/56/91/64/1169569164.db2.gz IGRFZSKAJSZAQP-NXEZZACHSA-N 1 1 168.284 1.374 10 30 ADEEMO C=CCC[N@@H+]1CC[C@@H](CO)[C@@H]1C 379317846 1169569762 /nfs/dbraw/zinc/56/97/62/1169569762.db2.gz HZKQCLTZYDSJMN-UWVGGRQHSA-N 1 1 169.268 1.265 10 30 ADEEMO C=CCC[N@@H+]1CC[C@@H](CO)[C@H]1C 379317848 1169569779 /nfs/dbraw/zinc/56/97/79/1169569779.db2.gz HZKQCLTZYDSJMN-ZJUUUORDSA-N 1 1 169.268 1.265 10 30 ADEEMO C=CCO[C@@H]1CC[N@H+](C(C)C)C1 379322949 1169570804 /nfs/dbraw/zinc/57/08/04/1169570804.db2.gz MQEGVEWVNYMGNN-SNVBAGLBSA-N 1 1 169.268 1.672 10 30 ADEEMO C#CCCC[N@@H+]1CC[C@@](C)(CO)C1 379353153 1169572225 /nfs/dbraw/zinc/57/22/25/1169572225.db2.gz DVJMAKAISRSQCQ-LLVKDONJSA-N 1 1 181.279 1.104 10 30 ADEEMO C#CCCC[N@@H+]1CC[C@](C)(CO)C1 379353154 1169573460 /nfs/dbraw/zinc/57/34/60/1169573460.db2.gz DVJMAKAISRSQCQ-NSHDSACASA-N 1 1 181.279 1.104 10 30 ADEEMO C=CCC[C@H](C)[N@H+]1CCC[C@@H](O)C1 379378841 1169578755 /nfs/dbraw/zinc/57/87/55/1169578755.db2.gz AWZGEABQWICJIV-WDEREUQCSA-N 1 1 183.295 1.798 10 30 ADEEMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H](O)C1 379378840 1169578932 /nfs/dbraw/zinc/57/89/32/1169578932.db2.gz AWZGEABQWICJIV-GHMZBOCLSA-N 1 1 183.295 1.798 10 30 ADEEMO C#CCOCC[N@@H+](C)CCCCF 379411066 1169583469 /nfs/dbraw/zinc/58/34/69/1169583469.db2.gz HKKPUJVDUAOFOC-UHFFFAOYSA-N 1 1 187.258 1.318 10 30 ADEEMO C=CCC[C@H](C)[N@H+](C)CC(=O)OC 379407567 1169583719 /nfs/dbraw/zinc/58/37/19/1169583719.db2.gz YYKBLBHCVLUSEY-VIFPVBQESA-N 1 1 185.267 1.446 10 30 ADEEMO C=CCC[C@@H](C)[N@H+](C)CC(=O)OC 379407566 1169583951 /nfs/dbraw/zinc/58/39/51/1169583951.db2.gz YYKBLBHCVLUSEY-SECBINFHSA-N 1 1 185.267 1.446 10 30 ADEEMO C=CCC[NH2+][C@H](CC)c1noc(C)n1 379577774 1169588938 /nfs/dbraw/zinc/58/89/38/1169588938.db2.gz RQCMVSHZTXMMCU-SECBINFHSA-N 1 1 195.266 1.995 10 30 ADEEMO C=CCC[NH2+][C@@H](CC)c1noc(C)n1 379577775 1169590219 /nfs/dbraw/zinc/59/02/19/1169590219.db2.gz RQCMVSHZTXMMCU-VIFPVBQESA-N 1 1 195.266 1.995 10 30 ADEEMO C=CCNC1CC[NH+](CC2CC2)CC1 379594051 1169590303 /nfs/dbraw/zinc/59/03/03/1169590303.db2.gz CHLGGJHMVPCIHJ-UHFFFAOYSA-N 1 1 194.322 1.636 10 30 ADEEMO C=CC[NH2+]C1CCN(CC2CC2)CC1 379594051 1169590308 /nfs/dbraw/zinc/59/03/08/1169590308.db2.gz CHLGGJHMVPCIHJ-UHFFFAOYSA-N 1 1 194.322 1.636 10 30 ADEEMO Cc1ccc(NCCCCC#N)[nH+]c1 379653173 1169592349 /nfs/dbraw/zinc/59/23/49/1169592349.db2.gz HSWMRJAEUROPND-UHFFFAOYSA-N 1 1 189.262 1.918 10 30 ADEEMO CC[C@H](CC#N)[N@H+]1CC[C@@](C)(CO)C1 381619414 1169597689 /nfs/dbraw/zinc/59/76/89/1169597689.db2.gz REYXFACOMIBKQP-GHMZBOCLSA-N 1 1 196.294 1.383 10 30 ADEEMO CC[C@@H](CC#N)[N@H+]1CC[C@](C)(CO)C1 381619420 1169597764 /nfs/dbraw/zinc/59/77/64/1169597764.db2.gz REYXFACOMIBKQP-QWRGUYRKSA-N 1 1 196.294 1.383 10 30 ADEEMO CC[C@@H](CC#N)[N@H+]1CC[C@@](C)(CO)C1 381619422 1169598573 /nfs/dbraw/zinc/59/85/73/1169598573.db2.gz REYXFACOMIBKQP-WDEREUQCSA-N 1 1 196.294 1.383 10 30 ADEEMO C=CC[N@H+](C)Cc1ncccc1O 381946999 1169598741 /nfs/dbraw/zinc/59/87/41/1169598741.db2.gz ZDRXWSYXJOCXDZ-UHFFFAOYSA-N 1 1 178.235 1.405 10 30 ADEEMO CC[C@H](CC#N)[N@H+]1CC[C@](C)(CO)C1 381619418 1169599049 /nfs/dbraw/zinc/59/90/49/1169599049.db2.gz REYXFACOMIBKQP-MNOVXSKESA-N 1 1 196.294 1.383 10 30 ADEEMO C=C[C@@H](COC)[NH2+]Cc1conc1C 382014901 1169599717 /nfs/dbraw/zinc/59/97/17/1169599717.db2.gz NWFHPLRJXGJGAH-JTQLQIEISA-N 1 1 196.250 1.274 10 30 ADEEMO C=C[C@H](COC)[NH2+]Cc1conc1C 382014905 1169599894 /nfs/dbraw/zinc/59/98/94/1169599894.db2.gz NWFHPLRJXGJGAH-SNVBAGLBSA-N 1 1 196.250 1.274 10 30 ADEEMO C=C(C)C[N@@H+](CC)C[C@H](C)C(=O)OC 382536965 1169601983 /nfs/dbraw/zinc/60/19/83/1169601983.db2.gz PSJXEXXCGNHQQO-JTQLQIEISA-N 1 1 199.294 1.694 10 30 ADEEMO C=C(C)C[N@@H+](CC)C[C@@H](C)C(=O)OC 382536967 1169603276 /nfs/dbraw/zinc/60/32/76/1169603276.db2.gz PSJXEXXCGNHQQO-SNVBAGLBSA-N 1 1 199.294 1.694 10 30 ADEEMO C=CC[N@@H+](CC(=O)OC(C)C)C(C)C 383907041 1169605658 /nfs/dbraw/zinc/60/56/58/1169605658.db2.gz DOWUBTWMAKFEQK-UHFFFAOYSA-N 1 1 199.294 1.834 10 30 ADEEMO C=CC[N@H+](CC(=O)OC(C)C)C(C)C 383907041 1169605663 /nfs/dbraw/zinc/60/56/63/1169605663.db2.gz DOWUBTWMAKFEQK-UHFFFAOYSA-N 1 1 199.294 1.834 10 30 ADEEMO C[C@H]1[C@@H](CO)CC[N@H+]1CCCCC#N 385722776 1169610797 /nfs/dbraw/zinc/61/07/97/1169610797.db2.gz SJLBKGIOKBLCHS-WDEREUQCSA-N 1 1 196.294 1.383 10 30 ADEEMO CC[C@H](CC#N)[N@H+]1CC[C@@H](CO)[C@H]1C 385759007 1169611616 /nfs/dbraw/zinc/61/16/16/1169611616.db2.gz XJZNWKUMECCOGK-OUAUKWLOSA-N 1 1 196.294 1.381 10 30 ADEEMO C[C@@H]1[C@@H](CO)CC[N@H+]1CCCCC#N 385722773 1169611890 /nfs/dbraw/zinc/61/18/90/1169611890.db2.gz SJLBKGIOKBLCHS-GHMZBOCLSA-N 1 1 196.294 1.383 10 30 ADEEMO C[C@H]1[C@H](CO)CC[N@H+]1CCCCC#N 385722775 1169612263 /nfs/dbraw/zinc/61/22/63/1169612263.db2.gz SJLBKGIOKBLCHS-QWRGUYRKSA-N 1 1 196.294 1.383 10 30 ADEEMO C[C@@H]1[C@H](CO)CC[N@H+]1CCCCC#N 385722774 1169612331 /nfs/dbraw/zinc/61/23/31/1169612331.db2.gz SJLBKGIOKBLCHS-MNOVXSKESA-N 1 1 196.294 1.383 10 30 ADEEMO C=CC[N@@H+](CCC#N)[C@@H](C)[C@H](C)O 388200095 1169618631 /nfs/dbraw/zinc/61/86/31/1169618631.db2.gz AGKPVMFMCNKDET-UWVGGRQHSA-N 1 1 182.267 1.157 10 30 ADEEMO C=CC[N@H+](CCC#N)[C@@H](C)[C@H](C)O 388200095 1169618633 /nfs/dbraw/zinc/61/86/33/1169618633.db2.gz AGKPVMFMCNKDET-UWVGGRQHSA-N 1 1 182.267 1.157 10 30 ADEEMO C=CC[N@@H+](CCC#N)[C@H](C)[C@H](C)O 388200097 1169618702 /nfs/dbraw/zinc/61/87/02/1169618702.db2.gz AGKPVMFMCNKDET-ZJUUUORDSA-N 1 1 182.267 1.157 10 30 ADEEMO C=CC[N@H+](CCC#N)[C@H](C)[C@H](C)O 388200097 1169618704 /nfs/dbraw/zinc/61/87/04/1169618704.db2.gz AGKPVMFMCNKDET-ZJUUUORDSA-N 1 1 182.267 1.157 10 30 ADEEMO C=CCC[C@@H](O)C[N@H+](C)CC 388119273 1169618764 /nfs/dbraw/zinc/61/87/64/1169618764.db2.gz JIDXCGYHKUXYAG-SECBINFHSA-N 1 1 157.257 1.265 10 30 ADEEMO C#CC[N@H+](C)[C@@H](C)CSCC 388107064 1169619589 /nfs/dbraw/zinc/61/95/89/1169619589.db2.gz XTPGZKWACPWGCC-VIFPVBQESA-N 1 1 171.309 1.693 10 30 ADEEMO C#CC[N@H+](C)[C@H](C)CSCC 388107063 1169619640 /nfs/dbraw/zinc/61/96/40/1169619640.db2.gz XTPGZKWACPWGCC-SECBINFHSA-N 1 1 171.309 1.693 10 30 ADEEMO C=CC[N@@H+](CCC#N)[C@H](C)[C@@H](C)O 388200094 1169620281 /nfs/dbraw/zinc/62/02/81/1169620281.db2.gz AGKPVMFMCNKDET-NXEZZACHSA-N 1 1 182.267 1.157 10 30 ADEEMO C=CC[N@H+](CCC#N)[C@H](C)[C@@H](C)O 388200094 1169620284 /nfs/dbraw/zinc/62/02/84/1169620284.db2.gz AGKPVMFMCNKDET-NXEZZACHSA-N 1 1 182.267 1.157 10 30 ADEEMO C=CCC[C@H](O)C[N@H+](C)CC 388119277 1169620483 /nfs/dbraw/zinc/62/04/83/1169620483.db2.gz JIDXCGYHKUXYAG-VIFPVBQESA-N 1 1 157.257 1.265 10 30 ADEEMO C=CC[N@@H+](CCC#N)[C@@H](C)[C@@H](C)O 388200096 1169620554 /nfs/dbraw/zinc/62/05/54/1169620554.db2.gz AGKPVMFMCNKDET-VHSXEESVSA-N 1 1 182.267 1.157 10 30 ADEEMO C=CC[N@H+](CCC#N)[C@@H](C)[C@@H](C)O 388200096 1169620559 /nfs/dbraw/zinc/62/05/59/1169620559.db2.gz AGKPVMFMCNKDET-VHSXEESVSA-N 1 1 182.267 1.157 10 30 ADEEMO C=CCCC[N@@H+]1C[C@@H](O)C2(CC2)C1 388224108 1169621863 /nfs/dbraw/zinc/62/18/63/1169621863.db2.gz JORMQKINCJZCQU-SNVBAGLBSA-N 1 1 181.279 1.409 10 30 ADEEMO C=CCCC[N@@H+]1C[C@H](O)C2(CC2)C1 388224107 1169622209 /nfs/dbraw/zinc/62/22/09/1169622209.db2.gz JORMQKINCJZCQU-JTQLQIEISA-N 1 1 181.279 1.409 10 30 ADEEMO C=CCO[C@H]1CC[N@H+](CCCF)C1 388274270 1169622429 /nfs/dbraw/zinc/62/24/29/1169622429.db2.gz IIHKDNOOSNFLKT-JTQLQIEISA-N 1 1 187.258 1.623 10 30 ADEEMO C=CCO[C@@H]1CC[N@H+](CCCF)C1 388274271 1169623747 /nfs/dbraw/zinc/62/37/47/1169623747.db2.gz IIHKDNOOSNFLKT-SNVBAGLBSA-N 1 1 187.258 1.623 10 30 ADEEMO C#CCOCC[N@H+](C)CC1CCC1 388331060 1169624597 /nfs/dbraw/zinc/62/45/97/1169624597.db2.gz FCMKHSASCUJEQH-UHFFFAOYSA-N 1 1 181.279 1.368 10 30 ADEEMO C=CCO[C@@H]1CC[N@H+](CCF)C1 388465348 1169626063 /nfs/dbraw/zinc/62/60/63/1169626063.db2.gz IRYITNZAAISGKP-SECBINFHSA-N 1 1 173.231 1.233 10 30 ADEEMO C=CCO[C@H]1CC[N@H+](CCF)C1 388465349 1169626142 /nfs/dbraw/zinc/62/61/42/1169626142.db2.gz IRYITNZAAISGKP-VIFPVBQESA-N 1 1 173.231 1.233 10 30 ADEEMO C=CCC[C@@H](C)[N@H+](C)CCOC 388449924 1169627436 /nfs/dbraw/zinc/62/74/36/1169627436.db2.gz XPOYKEFIUJJNMK-SNVBAGLBSA-N 1 1 171.284 1.919 10 30 ADEEMO C=CCC[C@H](C)[N@H+](C)CCOC 388449923 1169627531 /nfs/dbraw/zinc/62/75/31/1169627531.db2.gz XPOYKEFIUJJNMK-JTQLQIEISA-N 1 1 171.284 1.919 10 30 ADEEMO C=CCCC[N@H+]1CCN[C@H](C(C)C)C1 388674743 1169631317 /nfs/dbraw/zinc/63/13/17/1169631317.db2.gz HOGODOGLNXJHRW-LBPRGKRZSA-N 1 1 196.338 1.882 10 30 ADEEMO C=CCCCN1CC[NH2+][C@H](C(C)C)C1 388674743 1169631323 /nfs/dbraw/zinc/63/13/23/1169631323.db2.gz HOGODOGLNXJHRW-LBPRGKRZSA-N 1 1 196.338 1.882 10 30 ADEEMO C=C(C)C[N@@H+](C)Cc1cc(C)n[nH]1 388765202 1169633436 /nfs/dbraw/zinc/63/34/36/1169633436.db2.gz FJWRBGYFVQPDNC-UHFFFAOYSA-N 1 1 179.267 1.726 10 30 ADEEMO C=C(C)C[N@H+](C)Cc1cc(C)n[nH]1 388765202 1169633441 /nfs/dbraw/zinc/63/34/41/1169633441.db2.gz FJWRBGYFVQPDNC-UHFFFAOYSA-N 1 1 179.267 1.726 10 30 ADEEMO C=CCCC[N@@H+]1CC[C@H](O)C[C@H]1C 388763291 1169633743 /nfs/dbraw/zinc/63/37/43/1169633743.db2.gz FBFQPBFBTKZVTJ-MNOVXSKESA-N 1 1 183.295 1.798 10 30 ADEEMO C=CCCC[N@@H+]1CC[C@@H](O)C[C@@H]1C 388763294 1169634337 /nfs/dbraw/zinc/63/43/37/1169634337.db2.gz FBFQPBFBTKZVTJ-WDEREUQCSA-N 1 1 183.295 1.798 10 30 ADEEMO C=CC[NH2+]Cc1ccc2nc[nH]c2c1 389246644 1169636537 /nfs/dbraw/zinc/63/65/37/1169636537.db2.gz BGGCTIKYCUCZCF-UHFFFAOYSA-N 1 1 187.246 1.839 10 30 ADEEMO C[C@H](CC#N)[NH2+]Cc1cc[nH]c(=O)c1 389219271 1169637317 /nfs/dbraw/zinc/63/73/17/1169637317.db2.gz MJMKDBIUACFFNM-MRVPVSSYSA-N 1 1 191.234 1.179 10 30 ADEEMO C[C@@H](CC#N)[NH2+]Cc1cc[nH]c(=O)c1 389219272 1169637456 /nfs/dbraw/zinc/63/74/56/1169637456.db2.gz MJMKDBIUACFFNM-QMMMGPOBSA-N 1 1 191.234 1.179 10 30 ADEEMO C=CCOCC[N@H+](C)CC1CCC1 393429157 1169643090 /nfs/dbraw/zinc/64/30/90/1169643090.db2.gz OTJLJLHUEKYYTJ-UHFFFAOYSA-N 1 1 183.295 1.921 10 30 ADEEMO C=CCCC[N@@H+]1C[C@H](F)C[C@H]1CO 393538148 1169643108 /nfs/dbraw/zinc/64/31/08/1169643108.db2.gz MFOWTKAOYWTIQK-ZJUUUORDSA-N 1 1 187.258 1.357 10 30 ADEEMO C[N@@H+](CCOCCC#N)CC1CCC1 395435528 1169651808 /nfs/dbraw/zinc/65/18/08/1169651808.db2.gz HLTCHOKKDQRKPG-UHFFFAOYSA-N 1 1 196.294 1.649 10 30 ADEEMO C=CCCN[C@H]1CC[C@H](C)[NH2+]C1 399019073 1169670259 /nfs/dbraw/zinc/67/02/59/1169670259.db2.gz HHNDTMXSKYYKAD-UWVGGRQHSA-N 1 1 168.284 1.293 10 30 ADEEMO C#CCC[NH2+][C@H](C)c1csnn1 398295969 1169667352 /nfs/dbraw/zinc/66/73/52/1169667352.db2.gz RMAJGSNQDUBBGC-SSDOTTSWSA-N 1 1 181.264 1.212 10 30 ADEEMO C#CCC[NH2+][C@@H](C)c1csnn1 398295970 1169668317 /nfs/dbraw/zinc/66/83/17/1169668317.db2.gz RMAJGSNQDUBBGC-ZETCQYMHSA-N 1 1 181.264 1.212 10 30 ADEEMO C=CCCN[C@H]1CC[C@@H](C)[NH2+]C1 399019077 1169669790 /nfs/dbraw/zinc/66/97/90/1169669790.db2.gz HHNDTMXSKYYKAD-ZJUUUORDSA-N 1 1 168.284 1.293 10 30 ADEEMO C=CCCN[C@@H]1CC[C@@H](C)[NH2+]C1 399019072 1169671888 /nfs/dbraw/zinc/67/18/88/1169671888.db2.gz HHNDTMXSKYYKAD-NXEZZACHSA-N 1 1 168.284 1.293 10 30 ADEEMO C=CCCN[C@@H]1CC[C@H](C)[NH2+]C1 399019076 1169671976 /nfs/dbraw/zinc/67/19/76/1169671976.db2.gz HHNDTMXSKYYKAD-VHSXEESVSA-N 1 1 168.284 1.293 10 30 ADEEMO C#CCCC[N@H+](C)Cc1cncs1 400005333 1169673867 /nfs/dbraw/zinc/67/38/67/1169673867.db2.gz CRDIRPZLKQVSNS-UHFFFAOYSA-N 1 1 194.303 1.988 10 30 ADEEMO CC[C@@H](CC#N)[N@H+](C)[C@@H]1CCCOC1 401478941 1169678459 /nfs/dbraw/zinc/67/84/59/1169678459.db2.gz UAZCFBGAOIPBDQ-WDEREUQCSA-N 1 1 196.294 1.789 10 30 ADEEMO CC[C@@H](CC#N)[N@@H+](C)[C@@H]1CCCOC1 401478941 1169678465 /nfs/dbraw/zinc/67/84/65/1169678465.db2.gz UAZCFBGAOIPBDQ-WDEREUQCSA-N 1 1 196.294 1.789 10 30 ADEEMO CC[C@@H](CC#N)[N@H+](C)[C@H]1CCCOC1 401478940 1169680007 /nfs/dbraw/zinc/68/00/07/1169680007.db2.gz UAZCFBGAOIPBDQ-QWRGUYRKSA-N 1 1 196.294 1.789 10 30 ADEEMO CC[C@@H](CC#N)[N@@H+](C)[C@H]1CCCOC1 401478940 1169680011 /nfs/dbraw/zinc/68/00/11/1169680011.db2.gz UAZCFBGAOIPBDQ-QWRGUYRKSA-N 1 1 196.294 1.789 10 30 ADEEMO CC[C@H](CC#N)[N@H+](C)[C@H]1CCCOC1 401478939 1169680221 /nfs/dbraw/zinc/68/02/21/1169680221.db2.gz UAZCFBGAOIPBDQ-MNOVXSKESA-N 1 1 196.294 1.789 10 30 ADEEMO CC[C@H](CC#N)[N@@H+](C)[C@H]1CCCOC1 401478939 1169680230 /nfs/dbraw/zinc/68/02/30/1169680230.db2.gz UAZCFBGAOIPBDQ-MNOVXSKESA-N 1 1 196.294 1.789 10 30 ADEEMO CC[C@H](CC#N)[N@H+](C)[C@@H]1CCCOC1 401478938 1169680595 /nfs/dbraw/zinc/68/05/95/1169680595.db2.gz UAZCFBGAOIPBDQ-GHMZBOCLSA-N 1 1 196.294 1.789 10 30 ADEEMO CC[C@H](CC#N)[N@@H+](C)[C@@H]1CCCOC1 401478938 1169680600 /nfs/dbraw/zinc/68/06/00/1169680600.db2.gz UAZCFBGAOIPBDQ-GHMZBOCLSA-N 1 1 196.294 1.789 10 30 ADEEMO C#CC[N@H+](C)C1CCSCC1 404096023 1169683705 /nfs/dbraw/zinc/68/37/05/1169683705.db2.gz VFUZVLPBMDXGPL-UHFFFAOYSA-N 1 1 169.293 1.447 10 30 ADEEMO N#C[C@@H]1CC[N@@H+](CC2CCOCC2)C1 606268271 1169693077 /nfs/dbraw/zinc/69/30/77/1169693077.db2.gz DUHAUJMPOKQEQL-NSHDSACASA-N 1 1 194.278 1.258 10 30 ADEEMO N#C[C@H]1CC[N@@H+](CC2CCOCC2)C1 606268270 1169693334 /nfs/dbraw/zinc/69/33/34/1169693334.db2.gz DUHAUJMPOKQEQL-LLVKDONJSA-N 1 1 194.278 1.258 10 30 ADEEMO N#C[C@@H]1CCC[N@H+](CC2(O)CCC2)C1 606268617 1169693351 /nfs/dbraw/zinc/69/33/51/1169693351.db2.gz VYNAGVMPJAQQKP-JTQLQIEISA-N 1 1 194.278 1.137 10 30 ADEEMO N#C[C@H]1CCC[N@H+](CC2(O)CCC2)C1 606268618 1169693753 /nfs/dbraw/zinc/69/37/53/1169693753.db2.gz VYNAGVMPJAQQKP-SNVBAGLBSA-N 1 1 194.278 1.137 10 30 ADEEMO C=C(C)C[N@H+]1C2CCC1(CO)CC2 642847976 1169696048 /nfs/dbraw/zinc/69/60/48/1169696048.db2.gz PJJPBQSHARMARM-UHFFFAOYSA-N 1 1 181.279 1.552 10 30 ADEEMO CCO[C@@H]1CC[N@H+]([C@H](CC)CC#N)C1 701709628 1169703252 /nfs/dbraw/zinc/70/32/52/1169703252.db2.gz VQDPBCSVUKIEAT-GHMZBOCLSA-N 1 1 196.294 1.789 10 30 ADEEMO C#CCCC[N@@H+]1CC[C@H](OC(C)C)C1 701673984 1169703537 /nfs/dbraw/zinc/70/35/37/1169703537.db2.gz RUZGMERXICVPEE-LBPRGKRZSA-N 1 1 195.306 1.899 10 30 ADEEMO CCOC(C)(C)C[N@H+]1CC[C@H](C#N)C1 702674568 1169704217 /nfs/dbraw/zinc/70/42/17/1169704217.db2.gz ZZGYCVMJYGGPSD-SNVBAGLBSA-N 1 1 196.294 1.647 10 30 ADEEMO CCOC(C)(C)C[N@H+](C)CCC#N 702663692 1169704285 /nfs/dbraw/zinc/70/42/85/1169704285.db2.gz YJKDWLPUBQWHCC-UHFFFAOYSA-N 1 1 184.283 1.647 10 30 ADEEMO CCOC(C)(C)C[N@@H+](C)CCC#N 702663692 1169704292 /nfs/dbraw/zinc/70/42/92/1169704292.db2.gz YJKDWLPUBQWHCC-UHFFFAOYSA-N 1 1 184.283 1.647 10 30 ADEEMO CCOC(C)(C)C[N@H+]1CC[C@@H](C#N)C1 702674567 1169704250 /nfs/dbraw/zinc/70/42/50/1169704250.db2.gz ZZGYCVMJYGGPSD-JTQLQIEISA-N 1 1 196.294 1.647 10 30 ADEEMO CCO[C@@H]1CC[N@H+]([C@@H](CC)CC#N)C1 701709634 1169704570 /nfs/dbraw/zinc/70/45/70/1169704570.db2.gz VQDPBCSVUKIEAT-WDEREUQCSA-N 1 1 196.294 1.789 10 30 ADEEMO C#CCCC[N@@H+]1CC[C@H](OCCC)C1 701677242 1169705336 /nfs/dbraw/zinc/70/53/36/1169705336.db2.gz OTKKTDDAHNRMCG-LBPRGKRZSA-N 1 1 195.306 1.901 10 30 ADEEMO C#CCCC[N@@H+]1CC[C@@H](OCC)C1 701671145 1169705477 /nfs/dbraw/zinc/70/54/77/1169705477.db2.gz DDKVTIILEYUOAH-LLVKDONJSA-N 1 1 181.279 1.511 10 30 ADEEMO C#CCCC[N@@H+]1CC[C@@H](OCCC)C1 701677241 1169705802 /nfs/dbraw/zinc/70/58/02/1169705802.db2.gz OTKKTDDAHNRMCG-GFCCVEGCSA-N 1 1 195.306 1.901 10 30 ADEEMO CC[C@H](CC#N)[N@H+]1CC[C@H](O)C[C@H]1C 705275676 1169707725 /nfs/dbraw/zinc/70/77/25/1169707725.db2.gz HAMULHCZDBMVAR-MXWKQRLJSA-N 1 1 196.294 1.524 10 30 ADEEMO CC[C@H](CC#N)[N@H+]1CC[C@H](O)C[C@@H]1C 705275673 1169708562 /nfs/dbraw/zinc/70/85/62/1169708562.db2.gz HAMULHCZDBMVAR-AXFHLTTASA-N 1 1 196.294 1.524 10 30 ADEEMO CC[C@H](CC#N)[N@H+]1CC[C@@H](O)C[C@@H]1C 705275675 1169708803 /nfs/dbraw/zinc/70/88/03/1169708803.db2.gz HAMULHCZDBMVAR-HBNTYKKESA-N 1 1 196.294 1.524 10 30 ADEEMO CC[C@@H](CC#N)[N@H+]1CC[C@@H](O)C[C@H]1C 705288376 1169708827 /nfs/dbraw/zinc/70/88/27/1169708827.db2.gz HAMULHCZDBMVAR-OUAUKWLOSA-N 1 1 196.294 1.524 10 30 ADEEMO CC1C[NH+](Cc2ccnc(C#N)c2)C1 705019608 1169708934 /nfs/dbraw/zinc/70/89/34/1169708934.db2.gz NUMZABMHUFPIIL-UHFFFAOYSA-N 1 1 187.246 1.405 10 30 ADEEMO CC[C@H](CC#N)[N@H+]1CC[C@@H](O)C[C@H]1C 705275674 1169709444 /nfs/dbraw/zinc/70/94/44/1169709444.db2.gz HAMULHCZDBMVAR-GMTAPVOTSA-N 1 1 196.294 1.524 10 30 ADEEMO C=C(C)CNC(=O)[C@H]1CCC[N@H+](C)C1 705919673 1169712346 /nfs/dbraw/zinc/71/23/46/1169712346.db2.gz JKTXGQFCWSISHJ-JTQLQIEISA-N 1 1 196.294 1.021 10 30 ADEEMO C#CCCC[N@@H+]1CC[C@H]1C 706729747 1169714106 /nfs/dbraw/zinc/71/41/06/1169714106.db2.gz WKGGJDFIWMQBOG-SECBINFHSA-N 1 1 137.226 1.494 10 30 ADEEMO C[C@@H]1CC[N@@H+]1Cc1ccnc(C#N)c1 706768388 1169714654 /nfs/dbraw/zinc/71/46/54/1169714654.db2.gz GVCWEZUSUHVQPE-SECBINFHSA-N 1 1 187.246 1.547 10 30 ADEEMO C[C@@H]1CC[N@H+]1Cc1ccnc(C#N)c1 706768388 1169714663 /nfs/dbraw/zinc/71/46/63/1169714663.db2.gz GVCWEZUSUHVQPE-SECBINFHSA-N 1 1 187.246 1.547 10 30 ADEEMO C#CCCC[N@@H+]1CC[C@@H]1C 706729748 1169714902 /nfs/dbraw/zinc/71/49/02/1169714902.db2.gz WKGGJDFIWMQBOG-VIFPVBQESA-N 1 1 137.226 1.494 10 30 ADEEMO C[C@H]1CC[N@@H+]1Cc1ccnc(C#N)c1 706768389 1169715901 /nfs/dbraw/zinc/71/59/01/1169715901.db2.gz GVCWEZUSUHVQPE-VIFPVBQESA-N 1 1 187.246 1.547 10 30 ADEEMO C[C@H]1CC[N@H+]1Cc1ccnc(C#N)c1 706768389 1169715905 /nfs/dbraw/zinc/71/59/05/1169715905.db2.gz GVCWEZUSUHVQPE-VIFPVBQESA-N 1 1 187.246 1.547 10 30 ADEEMO C=CCNC1C[C@@H]2CC[C@H](C1)[NH2+]2 709318998 1169725998 /nfs/dbraw/zinc/72/59/98/1169725998.db2.gz QIAQXRAYRBFFTN-ULKQDVFKSA-N 1 1 166.268 1.045 10 30 ADEEMO CC[C@@H](CC#N)[N@H+]1C[C@@H](O)CC[C@H]1C 713705521 1169735297 /nfs/dbraw/zinc/73/52/97/1169735297.db2.gz SMBYXMCRDCPADP-VWYCJHECSA-N 1 1 196.294 1.524 10 30 ADEEMO C#CCCC[N@H+](CC)C1CCOCC1 716339677 1169743353 /nfs/dbraw/zinc/74/33/53/1169743353.db2.gz KUGLKVVAWVXJNU-UHFFFAOYSA-N 1 1 195.306 1.901 10 30 ADEEMO C=C[C@@H](CO)Nc1[nH+]cccc1C 717527421 1169745943 /nfs/dbraw/zinc/74/59/43/1169745943.db2.gz GYOALIODRQCJDU-VIFPVBQESA-N 1 1 178.235 1.349 10 30 ADEEMO CC[C@H](CC#N)[N@@H+]1C[C@H]2COC[C@H]2C1 718227052 1169749708 /nfs/dbraw/zinc/74/97/08/1169749708.db2.gz RUVFGVOTPFPBGW-OUAUKWLOSA-N 1 1 194.278 1.257 10 30 ADEEMO C#CCCC[N@@H+](C)Cc1ncccn1 718961139 1169750155 /nfs/dbraw/zinc/75/01/55/1169750155.db2.gz ZFSLNDXGBUVIAR-UHFFFAOYSA-N 1 1 189.262 1.322 10 30 ADEEMO C#CCCC[N@H+](C)Cc1ncccn1 718961139 1169750165 /nfs/dbraw/zinc/75/01/65/1169750165.db2.gz ZFSLNDXGBUVIAR-UHFFFAOYSA-N 1 1 189.262 1.322 10 30 ADEEMO CC[C@@H](CC#N)[N@@H+]1C[C@H]2COC[C@H]2C1 718227046 1169750740 /nfs/dbraw/zinc/75/07/40/1169750740.db2.gz RUVFGVOTPFPBGW-AXFHLTTASA-N 1 1 194.278 1.257 10 30 ADEEMO C[N@@H+](CCC#N)CC1CCSCC1 718329764 1169750913 /nfs/dbraw/zinc/75/09/13/1169750913.db2.gz IFWUHGWATBQJMG-UHFFFAOYSA-N 1 1 198.335 1.975 10 30 ADEEMO C#CC[N@H+](C)CC1CCSCC1 718375894 1169751149 /nfs/dbraw/zinc/75/11/49/1169751149.db2.gz BADZSZSWHAKSQN-UHFFFAOYSA-N 1 1 183.320 1.695 10 30 ADEEMO C#CC[N@H+](C)[C@H]1CCO[C@@H](C)C1 721490623 1169761095 /nfs/dbraw/zinc/76/10/95/1169761095.db2.gz BZRLQGAXHHPWLU-UWVGGRQHSA-N 1 1 167.252 1.119 10 30 ADEEMO C[C@H]1CC[N@@H+]1Cc1cncc(C#N)c1 721559927 1169761201 /nfs/dbraw/zinc/76/12/01/1169761201.db2.gz PPXAOYXFBSLTTD-VIFPVBQESA-N 1 1 187.246 1.547 10 30 ADEEMO C[C@H]1CC[N@H+]1Cc1cncc(C#N)c1 721559927 1169761209 /nfs/dbraw/zinc/76/12/09/1169761209.db2.gz PPXAOYXFBSLTTD-VIFPVBQESA-N 1 1 187.246 1.547 10 30 ADEEMO C#CC[N@H+](C)[C@H]1CCO[C@H](C)C1 721490630 1169761641 /nfs/dbraw/zinc/76/16/41/1169761641.db2.gz BZRLQGAXHHPWLU-ZJUUUORDSA-N 1 1 167.252 1.119 10 30 ADEEMO C[C@@H]1CC[N@@H+]1Cc1cncc(C#N)c1 721559924 1169761826 /nfs/dbraw/zinc/76/18/26/1169761826.db2.gz PPXAOYXFBSLTTD-SECBINFHSA-N 1 1 187.246 1.547 10 30 ADEEMO C[C@@H]1CC[N@H+]1Cc1cncc(C#N)c1 721559924 1169761832 /nfs/dbraw/zinc/76/18/32/1169761832.db2.gz PPXAOYXFBSLTTD-SECBINFHSA-N 1 1 187.246 1.547 10 30 ADEEMO CC1C[NH+](Cc2cncc(C#N)c2)C1 721538399 1169762876 /nfs/dbraw/zinc/76/28/76/1169762876.db2.gz GGLQOCRBBSNUIX-UHFFFAOYSA-N 1 1 187.246 1.405 10 30 ADEEMO C#CC[N@H+](C)[C@@H]1CCO[C@@H](C)C1 721490626 1169762897 /nfs/dbraw/zinc/76/28/97/1169762897.db2.gz BZRLQGAXHHPWLU-VHSXEESVSA-N 1 1 167.252 1.119 10 30 ADEEMO N#C[C@H]1CC[C@@H](NC2CC[NH2+]CC2)C1 722675471 1169763965 /nfs/dbraw/zinc/76/39/65/1169763965.db2.gz FVKKZJMISFIQLU-GXSJLCMTSA-N 1 1 193.294 1.020 10 30 ADEEMO C#CCCC[N@@H+]1CCN2CCC1CC2 722777186 1169764305 /nfs/dbraw/zinc/76/43/05/1169764305.db2.gz KQYKZKWZONJAFB-UHFFFAOYSA-N 1 1 192.306 1.180 10 30 ADEEMO C#CCCC[N@H+]1CCN2CCC1CC2 722777186 1169764307 /nfs/dbraw/zinc/76/43/07/1169764307.db2.gz KQYKZKWZONJAFB-UHFFFAOYSA-N 1 1 192.306 1.180 10 30 ADEEMO N#C[C@H]1CC[C@H](NC2CC[NH2+]CC2)C1 722675473 1169764418 /nfs/dbraw/zinc/76/44/18/1169764418.db2.gz FVKKZJMISFIQLU-ONGXEEELSA-N 1 1 193.294 1.020 10 30 ADEEMO N#C[C@@H]1CC[C@@H](NC2CC[NH2+]CC2)C1 722675472 1169764692 /nfs/dbraw/zinc/76/46/92/1169764692.db2.gz FVKKZJMISFIQLU-MWLCHTKSSA-N 1 1 193.294 1.020 10 30 ADEEMO C[C@@H]1C[C@H]1C[N@H+]1CC[C@H](C#N)C1 722873757 1169767717 /nfs/dbraw/zinc/76/77/17/1169767717.db2.gz LTYNJOLALJMBCQ-BBBLOLIVSA-N 1 1 164.252 1.488 10 30 ADEEMO C[C@@H]1C[C@@H]1C[N@H+]1CC[C@H](C#N)C1 722873759 1169768027 /nfs/dbraw/zinc/76/80/27/1169768027.db2.gz LTYNJOLALJMBCQ-OPRDCNLKSA-N 1 1 164.252 1.488 10 30 ADEEMO N#CCCC[N@@H+]1C2CCC1(CO)CC2 722999427 1169768968 /nfs/dbraw/zinc/76/89/68/1169768968.db2.gz WLTHCRVKXYOETN-UHFFFAOYSA-N 1 1 194.278 1.279 10 30 ADEEMO C#CCCC[N@H+]1C[C@@H]2CC[C@H](C1)N2C 723886462 1169769615 /nfs/dbraw/zinc/76/96/15/1169769615.db2.gz ANGKLNOCFDEXNF-TXEJJXNPSA-N 1 1 192.306 1.178 10 30 ADEEMO C#CCCCN1C[C@@H]2CC[C@H](C1)[N@@H+]2C 723886462 1169769620 /nfs/dbraw/zinc/76/96/20/1169769620.db2.gz ANGKLNOCFDEXNF-TXEJJXNPSA-N 1 1 192.306 1.178 10 30 ADEEMO C#CCCCN1C[C@@H]2CC[C@H](C1)[N@H+]2C 723886462 1169769629 /nfs/dbraw/zinc/76/96/29/1169769629.db2.gz ANGKLNOCFDEXNF-TXEJJXNPSA-N 1 1 192.306 1.178 10 30 ADEEMO C=CCCC[N@@H+]1C2CCC1(CO)CC2 722998401 1169769872 /nfs/dbraw/zinc/76/98/72/1169769872.db2.gz NWCMGFDIVRNDRX-UHFFFAOYSA-N 1 1 195.306 1.942 10 30 ADEEMO C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@H](C#N)C1 722873758 1169770331 /nfs/dbraw/zinc/77/03/31/1169770331.db2.gz LTYNJOLALJMBCQ-KXUCPTDWSA-N 1 1 164.252 1.488 10 30 ADEEMO C[C@@H]1C[C@H]1C[N@H+]1CC[C@@H](C#N)C1 722873760 1169771083 /nfs/dbraw/zinc/77/10/83/1169771083.db2.gz LTYNJOLALJMBCQ-UTLUCORTSA-N 1 1 164.252 1.488 10 30 ADEEMO C#CCCC[N@H+]1CC[C@H]2OCC[C@H]2C1 724812459 1169771815 /nfs/dbraw/zinc/77/18/15/1169771815.db2.gz RMGXWIJEIANRSP-NWDGAFQWSA-N 1 1 193.290 1.511 10 30 ADEEMO C#CCCC[N@H+]1CC[C@H]2OCC[C@@H]2C1 724812461 1169774944 /nfs/dbraw/zinc/77/49/44/1169774944.db2.gz RMGXWIJEIANRSP-VXGBXAGGSA-N 1 1 193.290 1.511 10 30 ADEEMO C#CCCC[N@H+]1CC[C@@H]2OCC[C@H]2C1 724812460 1169775265 /nfs/dbraw/zinc/77/52/65/1169775265.db2.gz RMGXWIJEIANRSP-RYUDHWBXSA-N 1 1 193.290 1.511 10 30 ADEEMO C#CCCCNc1nc(NC)cc[nH+]1 1162439120 1169795925 /nfs/dbraw/zinc/79/59/25/1169795925.db2.gz KAHHNNSHEIYYBE-UHFFFAOYSA-N 1 1 190.250 1.344 10 30 ADEEMO CCC#C[C@H](C)[N@H+]1CC[C@H]2C[C@H]21 1168911200 1169802232 /nfs/dbraw/zinc/80/22/32/1169802232.db2.gz VBDZYPOSSADLES-GARJFASQSA-N 1 1 163.264 1.883 10 30 ADEEMO C#CCOCC[N@H+](C)[C@@H](C)C#CCC 1168933885 1169802720 /nfs/dbraw/zinc/80/27/20/1169802720.db2.gz ROZVGDSVPIDDFR-LBPRGKRZSA-N 1 1 193.290 1.370 10 30 ADEEMO CCC#C[C@H](C)[N@H+]1CC[C@@H]2C[C@@H]21 1168911198 1169803111 /nfs/dbraw/zinc/80/31/11/1169803111.db2.gz VBDZYPOSSADLES-AXFHLTTASA-N 1 1 163.264 1.883 10 30 ADEEMO C#CCOCC[N@H+](C)[C@H](C)C#CCC 1168933883 1169806318 /nfs/dbraw/zinc/80/63/18/1169806318.db2.gz ROZVGDSVPIDDFR-GFCCVEGCSA-N 1 1 193.290 1.370 10 30 ADEEMO C#CC[N@H+](C)CC1Cc2ccccc2C1 1209321703 1169822533 /nfs/dbraw/zinc/82/25/33/1169822533.db2.gz JKCUWMOXWKPRHN-UHFFFAOYSA-N 1 1 199.297 1.966 10 30 ADEEMO C#CC[N@H+](C)CC1CCC(OC)CC1 1209396262 1169822642 /nfs/dbraw/zinc/82/26/42/1169822642.db2.gz UJYLBBJXZADSLY-UHFFFAOYSA-N 1 1 195.306 1.757 10 30 ADEEMO C#CCCC[N@H+](C)Cc1cncnc1 1209268160 1169823242 /nfs/dbraw/zinc/82/32/42/1169823242.db2.gz VPWWVSDXTFYEJL-UHFFFAOYSA-N 1 1 189.262 1.322 10 30 ADEEMO C#CCCC[N@H+](C)Cc1ccno1 1209268027 1169823366 /nfs/dbraw/zinc/82/33/66/1169823366.db2.gz QCEVMFBAJXVEGK-UHFFFAOYSA-N 1 1 178.235 1.520 10 30 ADEEMO C#CC[N@H+](C)Cc1cc(C)nc(C)c1 1232002203 1169834855 /nfs/dbraw/zinc/83/48/55/1169834855.db2.gz YPWXFEFDAFUKBP-UHFFFAOYSA-N 1 1 188.274 1.763 10 30 ADEEMO C#CC[N@@H+](C)Cc1cnc(F)cc1C 1231983309 1169835264 /nfs/dbraw/zinc/83/52/64/1169835264.db2.gz RTVFTMZABFCHAV-UHFFFAOYSA-N 1 1 192.237 1.594 10 30 ADEEMO C#CC[N@H+](C)Cc1cnc(F)cc1C 1231983309 1169835271 /nfs/dbraw/zinc/83/52/71/1169835271.db2.gz RTVFTMZABFCHAV-UHFFFAOYSA-N 1 1 192.237 1.594 10 30 ADEEMO C=CCO[C@@H]1CC[N@H+](C[C@@H](O)CC)C1 1254556645 1169883605 /nfs/dbraw/zinc/88/36/05/1169883605.db2.gz LJXUPKHXXDYABM-WDEREUQCSA-N 1 1 199.294 1.034 10 30 ADEEMO C=CCO[C@@H]1CC[N@H+](CCC(C)=O)C1 1254564142 1169884767 /nfs/dbraw/zinc/88/47/67/1169884767.db2.gz BTRQPEJFHQISEN-LLVKDONJSA-N 1 1 197.278 1.242 10 30 ADEEMO C=CCO[C@@H]1CC[N@H+](C[C@H](O)CC)C1 1254556642 1169886085 /nfs/dbraw/zinc/88/60/85/1169886085.db2.gz LJXUPKHXXDYABM-GHMZBOCLSA-N 1 1 199.294 1.034 10 30 ADEEMO C=CCO[C@H]1CC[N@H+](C[C@H](O)CC)C1 1254556643 1169886153 /nfs/dbraw/zinc/88/61/53/1169886153.db2.gz LJXUPKHXXDYABM-MNOVXSKESA-N 1 1 199.294 1.034 10 30 ADEEMO C#CCN(C)[C@H]1CCC[N@@H+](C)CC1 1254525697 1169886468 /nfs/dbraw/zinc/88/64/68/1169886468.db2.gz KYSHMBBTJOFXHF-NSHDSACASA-N 1 1 180.295 1.036 10 30 ADEEMO C=CC[N@H+](C)[C@H]1CCC[NH+](C)CC1 1254527050 1169886534 /nfs/dbraw/zinc/88/65/34/1169886534.db2.gz VSSSWNROHGMEGQ-NSHDSACASA-N 1 1 182.311 1.589 10 30 ADEEMO C=CC[N@@H+](C)[C@H]1CCCN(C)CC1 1254527050 1169886560 /nfs/dbraw/zinc/88/65/60/1169886560.db2.gz VSSSWNROHGMEGQ-NSHDSACASA-N 1 1 182.311 1.589 10 30 ADEEMO C=CC[N@H+](C)[C@H]1CCCN(C)CC1 1254527050 1169886570 /nfs/dbraw/zinc/88/65/70/1169886570.db2.gz VSSSWNROHGMEGQ-NSHDSACASA-N 1 1 182.311 1.589 10 30 ADEEMO C=CCN(C)[C@H]1CCC[N@H+](C)CC1 1254527050 1169886579 /nfs/dbraw/zinc/88/65/79/1169886579.db2.gz VSSSWNROHGMEGQ-NSHDSACASA-N 1 1 182.311 1.589 10 30 ADEEMO C=CCN(C)[C@H]1CCC[N@@H+](C)CC1 1254527050 1169886589 /nfs/dbraw/zinc/88/65/89/1169886589.db2.gz VSSSWNROHGMEGQ-NSHDSACASA-N 1 1 182.311 1.589 10 30 ADEEMO C#CCN(C)[C@@H]1CCC[N@@H+](C)CC1 1254525695 1169887052 /nfs/dbraw/zinc/88/70/52/1169887052.db2.gz KYSHMBBTJOFXHF-LLVKDONJSA-N 1 1 180.295 1.036 10 30 ADEEMO C=CCO[C@H]1CC[N@H+](C[C@@H](O)CC)C1 1254556644 1169887336 /nfs/dbraw/zinc/88/73/36/1169887336.db2.gz LJXUPKHXXDYABM-QWRGUYRKSA-N 1 1 199.294 1.034 10 30 ADEEMO C=CC[N@H+](C)[C@@H]1CCC[NH+](C)CC1 1254527043 1169887410 /nfs/dbraw/zinc/88/74/10/1169887410.db2.gz VSSSWNROHGMEGQ-LLVKDONJSA-N 1 1 182.311 1.589 10 30 ADEEMO C=CC[N@@H+](C)[C@@H]1CCCN(C)CC1 1254527043 1169887422 /nfs/dbraw/zinc/88/74/22/1169887422.db2.gz VSSSWNROHGMEGQ-LLVKDONJSA-N 1 1 182.311 1.589 10 30 ADEEMO C=CC[N@H+](C)[C@@H]1CCCN(C)CC1 1254527043 1169887427 /nfs/dbraw/zinc/88/74/27/1169887427.db2.gz VSSSWNROHGMEGQ-LLVKDONJSA-N 1 1 182.311 1.589 10 30 ADEEMO C=CCN(C)[C@@H]1CCC[N@H+](C)CC1 1254527043 1169887430 /nfs/dbraw/zinc/88/74/30/1169887430.db2.gz VSSSWNROHGMEGQ-LLVKDONJSA-N 1 1 182.311 1.589 10 30 ADEEMO C=CCN(C)[C@@H]1CCC[N@@H+](C)CC1 1254527043 1169887435 /nfs/dbraw/zinc/88/74/35/1169887435.db2.gz VSSSWNROHGMEGQ-LLVKDONJSA-N 1 1 182.311 1.589 10 30 ADEEMO C=CCO[C@H]1CC[N@H+](CCC(C)=O)C1 1254564147 1169887647 /nfs/dbraw/zinc/88/76/47/1169887647.db2.gz BTRQPEJFHQISEN-NSHDSACASA-N 1 1 197.278 1.242 10 30 ADEEMO CC[C@H](CC#N)N1C[C@@H]2C[C@H]1C[N@H+]2C 1255179891 1169912995 /nfs/dbraw/zinc/91/29/95/1169912995.db2.gz TZFWPVPFYGRPGN-VWYCJHECSA-N 1 1 193.294 1.067 10 30 ADEEMO CC[C@@H](CC#N)N1C[C@@H]2C[C@H]1C[N@H+]2C 1255179890 1169913151 /nfs/dbraw/zinc/91/31/51/1169913151.db2.gz TZFWPVPFYGRPGN-DCAQKATOSA-N 1 1 193.294 1.067 10 30 ADEEMO C=CCO[C@@H]1CC[N@H+](C[C@@H]2C[C@@H]2C)C1 1255625988 1169954823 /nfs/dbraw/zinc/95/48/23/1169954823.db2.gz VBMCAGLFMBBHOP-SDDRHHMPSA-N 1 1 195.306 1.919 10 30 ADEEMO C=CCO[C@@H]1CC[N@H+](C[C@H]2C[C@@H]2C)C1 1255625986 1169954919 /nfs/dbraw/zinc/95/49/19/1169954919.db2.gz VBMCAGLFMBBHOP-QJPTWQEYSA-N 1 1 195.306 1.919 10 30 ADEEMO C=CCO[C@@H]1CC[N@H+](C[C@@H]2C[C@H]2C)C1 1255625976 1169954979 /nfs/dbraw/zinc/95/49/79/1169954979.db2.gz VBMCAGLFMBBHOP-GRYCIOLGSA-N 1 1 195.306 1.919 10 30 ADEEMO C=CCO[C@@H]1CC[N@H+](C[C@H]2C[C@H]2C)C1 1255625984 1169955148 /nfs/dbraw/zinc/95/51/48/1169955148.db2.gz VBMCAGLFMBBHOP-IJLUTSLNSA-N 1 1 195.306 1.919 10 30 ADEEMO C=CCCC[C@H]([NH3+])C(=O)OCC 70592667 566260825 /nfs/dbraw/zinc/26/08/25/566260825.db2.gz VEVUHIYZHSMYON-QMMMGPOBSA-N 1 1 171.240 1.233 10 30 ADEEMO C=CCCC[C@@H]([NH3+])C(=O)OCC 70592666 566261211 /nfs/dbraw/zinc/26/12/11/566261211.db2.gz VEVUHIYZHSMYON-MRVPVSSYSA-N 1 1 171.240 1.233 10 30 ADEEMO COCC#CC[N@H+]1CCCC[C@H]1C 196378827 566274715 /nfs/dbraw/zinc/27/47/15/566274715.db2.gz DEAIYSQWYHNIHC-LLVKDONJSA-N 1 1 181.279 1.511 10 30 ADEEMO COCC#CC[N@H+]1CCCC[C@@H]1C 196378836 566274837 /nfs/dbraw/zinc/27/48/37/566274837.db2.gz DEAIYSQWYHNIHC-NSHDSACASA-N 1 1 181.279 1.511 10 30 ADEEMO N#Cc1cncc(C[NH+]2CCC2)c1 261303888 566290919 /nfs/dbraw/zinc/29/09/19/566290919.db2.gz SJEXERSOIKNHRP-UHFFFAOYSA-N 1 1 173.219 1.159 10 30 ADEEMO C=CCCC[N@H+](C)CC1(CO)CC1 379391839 566305523 /nfs/dbraw/zinc/30/55/23/566305523.db2.gz QNKHKHJGUAMHTN-UHFFFAOYSA-N 1 1 183.295 1.657 10 30 ADEEMO CC(C)(C)C#CCC1=C[C@H]([NH3+])CNC1 675078759 566311167 /nfs/dbraw/zinc/31/11/67/566311167.db2.gz SDEWHSLGYVWVLA-NSHDSACASA-N 1 1 192.306 1.283 10 30 ADEEMO CC(C)(C)C#CCC1=C[C@@H]([NH3+])CNC1 675078757 566313222 /nfs/dbraw/zinc/31/32/22/566313222.db2.gz SDEWHSLGYVWVLA-LLVKDONJSA-N 1 1 192.306 1.283 10 30 ADEEMO C=CCC[C@@H](C)[N@H+](C)C[C@@H](C)C[NH3+] 1258720862 1170088564 /nfs/dbraw/zinc/08/85/64/1170088564.db2.gz HXIZMCFQFOBHTN-WDEREUQCSA-N 1 1 184.327 1.868 10 30 ADEEMO C=CCC[C@H](C)[N@H+](C)C[C@H](C)C[NH3+] 1258720860 1170089590 /nfs/dbraw/zinc/08/95/90/1170089590.db2.gz HXIZMCFQFOBHTN-MNOVXSKESA-N 1 1 184.327 1.868 10 30 ADEEMO C=CCC[C@@H](C)[N@H+](C)C[C@H](C)C[NH3+] 1258720859 1170089785 /nfs/dbraw/zinc/08/97/85/1170089785.db2.gz HXIZMCFQFOBHTN-GHMZBOCLSA-N 1 1 184.327 1.868 10 30 ADEEMO C=CCC[C@H](C)[N@H+](C)C[C@@H](C)C[NH3+] 1258720861 1170091471 /nfs/dbraw/zinc/09/14/71/1170091471.db2.gz HXIZMCFQFOBHTN-QWRGUYRKSA-N 1 1 184.327 1.868 10 30 ADEEMO C=CCC[C@@H](C)[N@H+](C)[C@@H](C)C(=O)OC 1258732936 1170095737 /nfs/dbraw/zinc/09/57/37/1170095737.db2.gz RZYQJVYPDLNFER-ZJUUUORDSA-N 1 1 199.294 1.834 10 30 ADEEMO C=CCC[C@H](C)[N@H+](C)[C@H](C)C(=O)OC 1258735257 1170095804 /nfs/dbraw/zinc/09/58/04/1170095804.db2.gz RZYQJVYPDLNFER-VHSXEESVSA-N 1 1 199.294 1.834 10 30 ADEEMO C=CCC[C@H](C)[N@H+]1C[C@@H]2C[C@H](C1)O2 1258732188 1170095866 /nfs/dbraw/zinc/09/58/66/1170095866.db2.gz JQRWZRYIEVQYAF-GARJFASQSA-N 1 1 181.279 1.814 10 30 ADEEMO C=CCC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C 1258732876 1170096145 /nfs/dbraw/zinc/09/61/45/1170096145.db2.gz DBPLAZPXABVFLY-WOPDTQHZSA-N 1 1 194.322 1.729 10 30 ADEEMO C=CCC[C@@H](C)[N@H+]1C[C@@H]2C[C@H](C1)O2 1258732189 1170097399 /nfs/dbraw/zinc/09/73/99/1170097399.db2.gz JQRWZRYIEVQYAF-MXWKQRLJSA-N 1 1 181.279 1.814 10 30 ADEEMO C=CCC[C@H](C)[N@H+](C)[C@@H](C)C(=O)OC 1258732933 1170097714 /nfs/dbraw/zinc/09/77/14/1170097714.db2.gz RZYQJVYPDLNFER-UWVGGRQHSA-N 1 1 199.294 1.834 10 30 ADEEMO C=CCC[C@@H](C)[N@H+]1CC(=O)NC[C@H]1C 1258733244 1170098051 /nfs/dbraw/zinc/09/80/51/1170098051.db2.gz XVSVBAVYJFPARZ-NXEZZACHSA-N 1 1 196.294 1.161 10 30 ADEEMO C=CCC[C@H](C)[N@@H+](C)CC1COC1 1258735190 1170098091 /nfs/dbraw/zinc/09/80/91/1170098091.db2.gz QTTLWCWNYOGCAG-JTQLQIEISA-N 1 1 183.295 1.919 10 30 ADEEMO C=CCC[C@@H](C)[N@@H+](C)CC1COC1 1258735191 1170098602 /nfs/dbraw/zinc/09/86/02/1170098602.db2.gz QTTLWCWNYOGCAG-SNVBAGLBSA-N 1 1 183.295 1.919 10 30 ADEEMO C=CCC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C 1258732875 1170098693 /nfs/dbraw/zinc/09/86/93/1170098693.db2.gz DBPLAZPXABVFLY-SRVKXCTJSA-N 1 1 194.322 1.729 10 30 ADEEMO C=CCC[C@H](C)[N@H+]1CC(=O)NC[C@H]1C 1258733245 1170099042 /nfs/dbraw/zinc/09/90/42/1170099042.db2.gz XVSVBAVYJFPARZ-VHSXEESVSA-N 1 1 196.294 1.161 10 30 ADEEMO C=CCC[C@@H](C)[N@H+](C)[C@H](C)C(=O)OC 1258735256 1170099249 /nfs/dbraw/zinc/09/92/49/1170099249.db2.gz RZYQJVYPDLNFER-NXEZZACHSA-N 1 1 199.294 1.834 10 30 ADEEMO C#CC[N@@H+](CC1CC1)C[C@H](CC)OC 1261379459 1170112066 /nfs/dbraw/zinc/11/20/66/1170112066.db2.gz COXOFCXOVYJJSY-LBPRGKRZSA-N 1 1 195.306 1.757 10 30 ADEEMO C#CC[N@H+](CC)CC1CCC(O)CC1 1261252202 1170112528 /nfs/dbraw/zinc/11/25/28/1170112528.db2.gz BKJRNZWLYLWTKP-UHFFFAOYSA-N 1 1 195.306 1.493 10 30 ADEEMO C#CC[N@@H+](CC1CC1)C[C@@H](CC)OC 1261379458 1170112533 /nfs/dbraw/zinc/11/25/33/1170112533.db2.gz COXOFCXOVYJJSY-GFCCVEGCSA-N 1 1 195.306 1.757 10 30 ADEEMO C=CCCCC[N@@H+]1C[C@@H](O)C2(CC2)C1 1261261809 1170112843 /nfs/dbraw/zinc/11/28/43/1170112843.db2.gz CDZZFLDHBGZRPF-LLVKDONJSA-N 1 1 195.306 1.799 10 30 ADEEMO C=CCCCC[N@@H+]1C[C@H](O)C2(CC2)C1 1261261810 1170113442 /nfs/dbraw/zinc/11/34/42/1170113442.db2.gz CDZZFLDHBGZRPF-NSHDSACASA-N 1 1 195.306 1.799 10 30 ADEEMO C=C[C@H](COC)[NH2+]Cc1cc(C)no1 1261850601 1170120344 /nfs/dbraw/zinc/12/03/44/1170120344.db2.gz RQDADSPWMKHOAU-SECBINFHSA-N 1 1 196.250 1.274 10 30 ADEEMO C=C[C@@H](COC)[NH2+]Cc1cc(C)no1 1261850602 1170120449 /nfs/dbraw/zinc/12/04/49/1170120449.db2.gz RQDADSPWMKHOAU-VIFPVBQESA-N 1 1 196.250 1.274 10 30 ADEEMO C#CC[N@@H+](C)CCCC(C)(F)F 1262274410 1170128106 /nfs/dbraw/zinc/12/81/06/1170128106.db2.gz XEOSOWFIDMUXNA-UHFFFAOYSA-N 1 1 175.222 1.987 10 30 ADEEMO C=CCO[C@@H]1CC[N@H+]([C@@H](CC)CO)C1 1262255060 1170128858 /nfs/dbraw/zinc/12/88/58/1170128858.db2.gz CTYPFXNGQVQKQJ-WDEREUQCSA-N 1 1 199.294 1.034 10 30 ADEEMO C=CCO[C@H]1CC[N@H+]([C@H](CC)CO)C1 1262255058 1170128875 /nfs/dbraw/zinc/12/88/75/1170128875.db2.gz CTYPFXNGQVQKQJ-MNOVXSKESA-N 1 1 199.294 1.034 10 30 ADEEMO C=CC[N@@H+](C)CCCCCNC(C)=O 1262264293 1170128970 /nfs/dbraw/zinc/12/89/70/1170128970.db2.gz NZRKJFOMHTXRMF-UHFFFAOYSA-N 1 1 198.310 1.411 10 30 ADEEMO C=CCO[C@@H]1CC[N@H+]([C@H](CC)CO)C1 1262255057 1170129258 /nfs/dbraw/zinc/12/92/58/1170129258.db2.gz CTYPFXNGQVQKQJ-GHMZBOCLSA-N 1 1 199.294 1.034 10 30 ADEEMO C#CC[N@@H+](C)Cc1cc(C)cc(C)n1 1262273540 1170129328 /nfs/dbraw/zinc/12/93/28/1170129328.db2.gz AHYDVSQHFGYTPG-UHFFFAOYSA-N 1 1 188.274 1.763 10 30 ADEEMO C#CC[N@H+](C)Cc1cc(C)cc(C)n1 1262273540 1170129334 /nfs/dbraw/zinc/12/93/34/1170129334.db2.gz AHYDVSQHFGYTPG-UHFFFAOYSA-N 1 1 188.274 1.763 10 30 ADEEMO C=CCO[C@H]1CC[N@H+]([C@@H](CC)CO)C1 1262255059 1170129407 /nfs/dbraw/zinc/12/94/07/1170129407.db2.gz CTYPFXNGQVQKQJ-QWRGUYRKSA-N 1 1 199.294 1.034 10 30 ADEEMO C=CCC[N@H+](CCNC(C)=O)C1CC1 1267321778 1170151148 /nfs/dbraw/zinc/15/11/48/1170151148.db2.gz UOMQHZITSDTLFX-UHFFFAOYSA-N 1 1 196.294 1.163 10 30 ADEEMO C=CC[N@@H+](CC)CCCNC(=O)CC 1265094896 1170148033 /nfs/dbraw/zinc/14/80/33/1170148033.db2.gz LCWATLPILMLNHA-UHFFFAOYSA-N 1 1 198.310 1.411 10 30 ADEEMO C=CC[N@H+](C)CCNC(=O)CCCC 1266258425 1170150619 /nfs/dbraw/zinc/15/06/19/1170150619.db2.gz PHFUIDDUSOALCO-UHFFFAOYSA-N 1 1 198.310 1.411 10 30 ADEEMO C=CCC[C@@H](C)[N@@H+](C)CCNC(C)=O 1266247196 1170151169 /nfs/dbraw/zinc/15/11/69/1170151169.db2.gz FNKIHPOKEUNZRZ-SNVBAGLBSA-N 1 1 198.310 1.409 10 30 ADEEMO C=CCC[N@H+](C)CCN(C)C(=O)CC 1268228229 1170151304 /nfs/dbraw/zinc/15/13/04/1170151304.db2.gz AAKIPORLZBLYPI-UHFFFAOYSA-N 1 1 198.310 1.363 10 30 ADEEMO C=CCCC[N@H+](C)CCNC(=O)CC 1266247791 1170151440 /nfs/dbraw/zinc/15/14/40/1170151440.db2.gz WMLXJAYIYJVBSD-UHFFFAOYSA-N 1 1 198.310 1.411 10 30 ADEEMO C=CC[N@@H+](C)CCNC(=O)C1CCC1 1266250631 1170151539 /nfs/dbraw/zinc/15/15/39/1170151539.db2.gz ZDGBIOYTKHIRSV-UHFFFAOYSA-N 1 1 196.294 1.021 10 30 ADEEMO C=CC[N@@H+](C)CCNC(=O)C1(C)CC1 1267198353 1170151765 /nfs/dbraw/zinc/15/17/65/1170151765.db2.gz MSZNJDRSVAJRNZ-UHFFFAOYSA-N 1 1 196.294 1.021 10 30 ADEEMO C=CC[N@@H+](CC)CCNC(=O)C(C)C 1267236870 1170151827 /nfs/dbraw/zinc/15/18/27/1170151827.db2.gz RVSADXVKJJUIRU-UHFFFAOYSA-N 1 1 198.310 1.267 10 30 ADEEMO C=CC[N@@H+](CCC)CCNC(C)=O 1267309052 1170152138 /nfs/dbraw/zinc/15/21/38/1170152138.db2.gz FCHYLUSJKVBCEB-UHFFFAOYSA-N 1 1 184.283 1.021 10 30 ADEEMO C=CCC[NH+]1CC(NC(=O)CCC)C1 1267635888 1170152513 /nfs/dbraw/zinc/15/25/13/1170152513.db2.gz NHGAESFPBXGGML-UHFFFAOYSA-N 1 1 196.294 1.163 10 30 ADEEMO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)CC 1267259104 1170152551 /nfs/dbraw/zinc/15/25/51/1170152551.db2.gz NZQDBUYLLPVCIK-SNVBAGLBSA-N 1 1 196.294 1.163 10 30 ADEEMO C=CCC[C@H](C)[N@@H+](C)CCNC(C)=O 1266247195 1170153128 /nfs/dbraw/zinc/15/31/28/1170153128.db2.gz FNKIHPOKEUNZRZ-JTQLQIEISA-N 1 1 198.310 1.409 10 30 ADEEMO C=CCC[N@H+](C)CCNC(=O)CCC 1266250321 1170153141 /nfs/dbraw/zinc/15/31/41/1170153141.db2.gz MRJPOJKJCMXVDT-UHFFFAOYSA-N 1 1 198.310 1.411 10 30 ADEEMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)CC 1268718363 1170153907 /nfs/dbraw/zinc/15/39/07/1170153907.db2.gz GLKXUBKJQWXUTN-JTQLQIEISA-N 1 1 198.310 1.409 10 30 ADEEMO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)CC 1268718364 1170154400 /nfs/dbraw/zinc/15/44/00/1170154400.db2.gz GLKXUBKJQWXUTN-SNVBAGLBSA-N 1 1 198.310 1.409 10 30 ADEEMO C=C(C)C[N@H+](C)[C@@H](C)CNC(C)=O 1275750710 1170158235 /nfs/dbraw/zinc/15/82/35/1170158235.db2.gz KTERVHKLFFVOAB-VIFPVBQESA-N 1 1 184.283 1.019 10 30 ADEEMO C=CC[N@H+](C)C[C@H](C)NC(=O)CCC 1275485965 1170158249 /nfs/dbraw/zinc/15/82/49/1170158249.db2.gz DCZQWFGJWBHTEZ-JTQLQIEISA-N 1 1 198.310 1.409 10 30 ADEEMO C=CC[N@H+](C)C[C@@H](C)NC(=O)CCC 1275485967 1170158744 /nfs/dbraw/zinc/15/87/44/1170158744.db2.gz DCZQWFGJWBHTEZ-SNVBAGLBSA-N 1 1 198.310 1.409 10 30 ADEEMO C=C(C)C[N@H+](C)[C@H](C)CNC(C)=O 1275750708 1170159025 /nfs/dbraw/zinc/15/90/25/1170159025.db2.gz KTERVHKLFFVOAB-SECBINFHSA-N 1 1 184.283 1.019 10 30 ADEEMO C=CCC[N@H+](C)[C@@H](C)CNC(=O)CC 1275750096 1170159048 /nfs/dbraw/zinc/15/90/48/1170159048.db2.gz CENJDRPMGKHSNC-JTQLQIEISA-N 1 1 198.310 1.409 10 30 ADEEMO C=CCC[N@H+](C)C[C@@H](C)NC(C)=O 1275486783 1170159094 /nfs/dbraw/zinc/15/90/94/1170159094.db2.gz HMRMOKFUGHWPRA-SECBINFHSA-N 1 1 184.283 1.019 10 30 ADEEMO C=CCC[N@H+](C)[C@H](C)CNC(=O)CC 1275750097 1170160051 /nfs/dbraw/zinc/16/00/51/1170160051.db2.gz CENJDRPMGKHSNC-SNVBAGLBSA-N 1 1 198.310 1.409 10 30 ADEEMO C=CC[N@H+](C)C[C@@H](C)NC(=O)CC 1275485743 1170160162 /nfs/dbraw/zinc/16/01/62/1170160162.db2.gz AMCHISJHXFRZQR-SECBINFHSA-N 1 1 184.283 1.019 10 30 ADEEMO C=CC[N@H+](C)C[C@H](C)NC(=O)CC 1275485744 1170160525 /nfs/dbraw/zinc/16/05/25/1170160525.db2.gz AMCHISJHXFRZQR-VIFPVBQESA-N 1 1 184.283 1.019 10 30 ADEEMO C=CCC[N@H+](C)C[C@H](C)NC(C)=O 1275486785 1170160541 /nfs/dbraw/zinc/16/05/41/1170160541.db2.gz HMRMOKFUGHWPRA-VIFPVBQESA-N 1 1 184.283 1.019 10 30 ADEEMO C[N@H+]1C[C@@H]2C[C@H](C1)N2CCCCC#N 1277949555 1170164734 /nfs/dbraw/zinc/16/47/34/1170164734.db2.gz XGXMOXPFTDTSNN-PHIMTYICSA-N 1 1 193.294 1.069 10 30 ADEEMO C=CC[N@H+](C)[C@H](C)CNC(=O)C(C)C 1282356476 1170167415 /nfs/dbraw/zinc/16/74/15/1170167415.db2.gz VSCHYOZIBQQOLT-SNVBAGLBSA-N 1 1 198.310 1.265 10 30 ADEEMO C=CC[N@H+](C)CCCN(C)C(=O)CC 1280778025 1170168148 /nfs/dbraw/zinc/16/81/48/1170168148.db2.gz ZUPKTEIPWLOUMD-UHFFFAOYSA-N 1 1 198.310 1.363 10 30 ADEEMO C=C(C)C[N@H+](C)CCCN(C)C(C)=O 1280776023 1170169105 /nfs/dbraw/zinc/16/91/05/1170169105.db2.gz GKNQHBUKFRWAMN-UHFFFAOYSA-N 1 1 198.310 1.363 10 30 ADEEMO C=CC[N@H+](C)[C@@H](C)CNC(=O)C(C)C 1282356472 1170169914 /nfs/dbraw/zinc/16/99/14/1170169914.db2.gz VSCHYOZIBQQOLT-JTQLQIEISA-N 1 1 198.310 1.265 10 30 ADEEMO C=CC[C@@H](C)NC(=O)[C@@H]1CC[N@H+]1CC 1293502834 1170173237 /nfs/dbraw/zinc/17/32/37/1170173237.db2.gz NVRHQZOWOSBGPL-ZJUUUORDSA-N 1 1 196.294 1.161 10 30 ADEEMO C=CC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+]1CC 1293502834 1170173239 /nfs/dbraw/zinc/17/32/39/1170173239.db2.gz NVRHQZOWOSBGPL-ZJUUUORDSA-N 1 1 196.294 1.161 10 30 ADEEMO C=CC[C@H](C)NC(=O)[C@H]1CC[N@@H+]1CC 1293502833 1170174192 /nfs/dbraw/zinc/17/41/92/1170174192.db2.gz NVRHQZOWOSBGPL-VHSXEESVSA-N 1 1 196.294 1.161 10 30 ADEEMO C=CC[C@H](C)NC(=O)[C@H]1CC[N@H+]1CC 1293502833 1170174190 /nfs/dbraw/zinc/17/41/90/1170174190.db2.gz NVRHQZOWOSBGPL-VHSXEESVSA-N 1 1 196.294 1.161 10 30 ADEEMO C=CC[C@@H](C)NC(=O)[C@H]1CC[N@H+]1CC 1293502831 1170174391 /nfs/dbraw/zinc/17/43/91/1170174391.db2.gz NVRHQZOWOSBGPL-NXEZZACHSA-N 1 1 196.294 1.161 10 30 ADEEMO C=CC[C@@H](C)NC(=O)[C@H]1CC[N@@H+]1CC 1293502831 1170174396 /nfs/dbraw/zinc/17/43/96/1170174396.db2.gz NVRHQZOWOSBGPL-NXEZZACHSA-N 1 1 196.294 1.161 10 30 ADEEMO C=CCCN(C)C(=O)[C@H]1CC[N@@H+]1CC 1296521924 1170174455 /nfs/dbraw/zinc/17/44/55/1170174455.db2.gz ZRWIXZMCKNCYGY-SNVBAGLBSA-N 1 1 196.294 1.115 10 30 ADEEMO C=CCCN(C)C(=O)[C@@H]1CC[N@@H+]1CC 1296521923 1170174481 /nfs/dbraw/zinc/17/44/81/1170174481.db2.gz ZRWIXZMCKNCYGY-JTQLQIEISA-N 1 1 196.294 1.115 10 30 ADEEMO C=CC[C@H](C)NC(=O)[C@@H]1CC[N@H+]1CC 1293502832 1170175121 /nfs/dbraw/zinc/17/51/21/1170175121.db2.gz NVRHQZOWOSBGPL-UWVGGRQHSA-N 1 1 196.294 1.161 10 30 ADEEMO C=CC[C@H](C)NC(=O)[C@@H]1CC[N@@H+]1CC 1293502832 1170175122 /nfs/dbraw/zinc/17/51/22/1170175122.db2.gz NVRHQZOWOSBGPL-UWVGGRQHSA-N 1 1 196.294 1.161 10 30 ADEEMO C=CCO[C@H]1CC[N@H+]([C@H]2CCOC2)C1 1307606364 1170182548 /nfs/dbraw/zinc/18/25/48/1170182548.db2.gz ITVLIDJGDJOILN-QWRGUYRKSA-N 1 1 197.278 1.052 10 30 ADEEMO C#CC[N@H+](C)CC12COC(C)(C1)C2 1307742687 1170181794 /nfs/dbraw/zinc/18/17/94/1170181794.db2.gz XRDMJNBIPVVZAI-UHFFFAOYSA-N 1 1 179.263 1.121 10 30 ADEEMO C=CC[N@H+](C)CCN(CC)CC(C)=O 1307729730 1170182408 /nfs/dbraw/zinc/18/24/08/1170182408.db2.gz OPHMZCMGQKAWGB-UHFFFAOYSA-N 1 1 198.310 1.015 10 30 ADEEMO C#CC[N@H+](CC)C[C@@H]1CCCC[C@H]1O 1307514510 1170182420 /nfs/dbraw/zinc/18/24/20/1170182420.db2.gz RQKBKMRREOMXGP-NWDGAFQWSA-N 1 1 195.306 1.493 10 30 ADEEMO C#CC[N@H+](CC)C[C@H]1CCCC[C@@H]1O 1307514509 1170182480 /nfs/dbraw/zinc/18/24/80/1170182480.db2.gz RQKBKMRREOMXGP-NEPJUHHUSA-N 1 1 195.306 1.493 10 30 ADEEMO C#CC[N@@H+](CC1CC1)C[C@](C)(O)CC 1307589252 1170182584 /nfs/dbraw/zinc/18/25/84/1170182584.db2.gz UOCGEGTZYDQXAM-GFCCVEGCSA-N 1 1 195.306 1.493 10 30 ADEEMO CCC#C[C@@H](C)[N@H+](C)CCOCC 1307609350 1170183047 /nfs/dbraw/zinc/18/30/47/1170183047.db2.gz OCEOUZHZUDVGQG-LLVKDONJSA-N 1 1 183.295 1.757 10 30 ADEEMO C=CCO[C@H]1CC[N@H+]([C@@H]2CCOC2)C1 1307606363 1170183152 /nfs/dbraw/zinc/18/31/52/1170183152.db2.gz ITVLIDJGDJOILN-MNOVXSKESA-N 1 1 197.278 1.052 10 30 ADEEMO C#CC[N@@H+](CC1CC1)C[C@@](C)(O)CC 1307589253 1170183397 /nfs/dbraw/zinc/18/33/97/1170183397.db2.gz UOCGEGTZYDQXAM-LBPRGKRZSA-N 1 1 195.306 1.493 10 30 ADEEMO C#CC[N@H+](CC)C[C@@H]1CCCC[C@@H]1O 1307514511 1170183656 /nfs/dbraw/zinc/18/36/56/1170183656.db2.gz RQKBKMRREOMXGP-RYUDHWBXSA-N 1 1 195.306 1.493 10 30 ADEEMO CCC#C[C@H](C)[N@H+](C)CCOCC 1307609353 1170184220 /nfs/dbraw/zinc/18/42/20/1170184220.db2.gz OCEOUZHZUDVGQG-NSHDSACASA-N 1 1 183.295 1.757 10 30 ADEEMO C#CC[N@H+](CC)C[C@H]1CCCC[C@H]1O 1307514512 1170184413 /nfs/dbraw/zinc/18/44/13/1170184413.db2.gz RQKBKMRREOMXGP-VXGBXAGGSA-N 1 1 195.306 1.493 10 30 ADEEMO N#CCC1(O)C[NH+](CCC2CCC2)C1 1307710604 1170184483 /nfs/dbraw/zinc/18/44/83/1170184483.db2.gz NBFLSEIGEYTEMD-UHFFFAOYSA-N 1 1 194.278 1.137 10 30 ADEEMO C=CCC[N@@H+]1C[C@H]2C[C@H]2C1 1308068350 1170185065 /nfs/dbraw/zinc/18/50/65/1170185065.db2.gz NBOXKGUMPMCGNP-DTORHVGOSA-N 1 1 137.226 1.514 10 30 ADEEMO C=CC[C@@H](C)[N@H+](C)Cc1ncccn1 1308035509 1170185137 /nfs/dbraw/zinc/18/51/37/1170185137.db2.gz IYXARAKWAZCDQI-SNVBAGLBSA-N 1 1 191.278 1.873 10 30 ADEEMO C=CC[C@@H](C)[N@@H+](C)Cc1ncccn1 1308035509 1170185138 /nfs/dbraw/zinc/18/51/38/1170185138.db2.gz IYXARAKWAZCDQI-SNVBAGLBSA-N 1 1 191.278 1.873 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+](CC2=NOCC2)C1 1307961012 1170185441 /nfs/dbraw/zinc/18/54/41/1170185441.db2.gz FPSRVHRWXGAKDY-SNVBAGLBSA-N 1 1 194.278 1.661 10 30 ADEEMO C=C(CC)C[N@H+]1[C@H](C)CC[C@@H]1CO 1308034792 1170185777 /nfs/dbraw/zinc/18/57/77/1170185777.db2.gz MECGZVFULNYQHB-GHMZBOCLSA-N 1 1 183.295 1.798 10 30 ADEEMO C=CC[C@H](C)[N@@H+](C)CCn1cnnc1 1308052235 1170185895 /nfs/dbraw/zinc/18/58/95/1170185895.db2.gz NRIXRKBOOKOPJX-JTQLQIEISA-N 1 1 194.282 1.175 10 30 ADEEMO C=CC[C@H](C)[N@H+](C)Cc1ncccn1 1308035506 1170186059 /nfs/dbraw/zinc/18/60/59/1170186059.db2.gz IYXARAKWAZCDQI-JTQLQIEISA-N 1 1 191.278 1.873 10 30 ADEEMO C=CC[C@H](C)[N@@H+](C)Cc1ncccn1 1308035506 1170186063 /nfs/dbraw/zinc/18/60/63/1170186063.db2.gz IYXARAKWAZCDQI-JTQLQIEISA-N 1 1 191.278 1.873 10 30 ADEEMO C=CC[C@@H](C)[N@@H+](C)CCn1cnnc1 1308052236 1170186311 /nfs/dbraw/zinc/18/63/11/1170186311.db2.gz NRIXRKBOOKOPJX-SNVBAGLBSA-N 1 1 194.282 1.175 10 30 ADEEMO C=CCC[C@H]1CCC[N@@H+]1CCCO 1308135104 1170186379 /nfs/dbraw/zinc/18/63/79/1170186379.db2.gz DKBVHCPLILNSBE-NSHDSACASA-N 1 1 183.295 1.799 10 30 ADEEMO C=CCC[C@@H]1CCC[N@@H+]1CCCO 1308135088 1170186456 /nfs/dbraw/zinc/18/64/56/1170186456.db2.gz DKBVHCPLILNSBE-LLVKDONJSA-N 1 1 183.295 1.799 10 30 ADEEMO C=C(C)C[N@H+]1CCN2C[C@@H](F)C[C@H]2C1 1308134846 1170187071 /nfs/dbraw/zinc/18/70/71/1170187071.db2.gz PPUBNPWKEPLTBI-QWRGUYRKSA-N 1 1 198.285 1.291 10 30 ADEEMO C=CC[C@H]1CC[N@@H+](CC2=NOCC2)C1 1307961011 1170187456 /nfs/dbraw/zinc/18/74/56/1170187456.db2.gz FPSRVHRWXGAKDY-JTQLQIEISA-N 1 1 194.278 1.661 10 30 ADEEMO C=C(C)CC[N@@H+](C)CCn1cnnc1 1308052507 1170187521 /nfs/dbraw/zinc/18/75/21/1170187521.db2.gz PYPFEDUXYDLCBQ-UHFFFAOYSA-N 1 1 194.282 1.176 10 30 ADEEMO C=C(C)C[N@H+](C)CC1=NOCC1 1307946783 1170187590 /nfs/dbraw/zinc/18/75/90/1170187590.db2.gz VAULWXFVBQWNTH-UHFFFAOYSA-N 1 1 168.240 1.271 10 30 ADEEMO C=CC[C@H](C)[N@@H+](C)Cc1ccn(C)n1 1308151281 1170188804 /nfs/dbraw/zinc/18/88/04/1170188804.db2.gz OSHQAQMBPQWNFB-JTQLQIEISA-N 1 1 193.294 1.817 10 30 ADEEMO C=C(CC)C[N@H+](C)Cc1ccn(C)n1 1308151689 1170188904 /nfs/dbraw/zinc/18/89/04/1170188904.db2.gz NUYBFNUEMLYMQU-UHFFFAOYSA-N 1 1 193.294 1.818 10 30 ADEEMO C=C(CC)C[N@@H+](C)Cc1ccn(C)n1 1308151689 1170188907 /nfs/dbraw/zinc/18/89/07/1170188907.db2.gz NUYBFNUEMLYMQU-UHFFFAOYSA-N 1 1 193.294 1.818 10 30 ADEEMO C=CC[C@@H](C)[N@@H+](C)Cc1ccn(C)n1 1308151282 1170190295 /nfs/dbraw/zinc/19/02/95/1170190295.db2.gz OSHQAQMBPQWNFB-SNVBAGLBSA-N 1 1 193.294 1.817 10 30 ADEEMO C=C(C)C[N@@H+](C)Cc1ccn(CC)n1 1308871598 1170191543 /nfs/dbraw/zinc/19/15/43/1170191543.db2.gz DKMQZIDUCOTOSZ-UHFFFAOYSA-N 1 1 193.294 1.911 10 30 ADEEMO C=C(C)C[N@H+](C)Cc1ccn(CC)n1 1308871598 1170191544 /nfs/dbraw/zinc/19/15/44/1170191544.db2.gz DKMQZIDUCOTOSZ-UHFFFAOYSA-N 1 1 193.294 1.911 10 30 ADEEMO C#CC[N@@H+](C)Cc1cccn1C(F)F 1308963365 1170191583 /nfs/dbraw/zinc/19/15/83/1170191583.db2.gz JYPSQBJDPCYQTN-UHFFFAOYSA-N 1 1 198.216 1.948 10 30 ADEEMO C#CC[N@H+](C)Cc1cccn1C(F)F 1308963365 1170191585 /nfs/dbraw/zinc/19/15/85/1170191585.db2.gz JYPSQBJDPCYQTN-UHFFFAOYSA-N 1 1 198.216 1.948 10 30 ADEEMO C#CC[N@@H+](C)Cc1ccc(OCC)o1 1308963638 1170192054 /nfs/dbraw/zinc/19/20/54/1170192054.db2.gz PGKMDSZUKLFNMQ-UHFFFAOYSA-N 1 1 193.246 1.743 10 30 ADEEMO C#CC[N@H+](C)Cc1ccc(OCC)o1 1308963638 1170192057 /nfs/dbraw/zinc/19/20/57/1170192057.db2.gz PGKMDSZUKLFNMQ-UHFFFAOYSA-N 1 1 193.246 1.743 10 30 ADEEMO C#CC[N@@H+](C)Cc1cc(C)co1 1308962700 1170193398 /nfs/dbraw/zinc/19/33/98/1170193398.db2.gz DINKSTGYCAGRRB-UHFFFAOYSA-N 1 1 163.220 1.653 10 30 ADEEMO C#CC[N@H+](C)Cc1cc(C)co1 1308962700 1170193404 /nfs/dbraw/zinc/19/34/04/1170193404.db2.gz DINKSTGYCAGRRB-UHFFFAOYSA-N 1 1 163.220 1.653 10 30 ADEEMO C=CCCC(=O)NCC[N@H+](C)CCC 1317443248 1170194464 /nfs/dbraw/zinc/19/44/64/1170194464.db2.gz NJGXCSWFBNGXMX-UHFFFAOYSA-N 1 1 198.310 1.411 10 30 ADEEMO C=CCCC(=O)NC1C[NH+](CCC)C1 1318007900 1170195384 /nfs/dbraw/zinc/19/53/84/1170195384.db2.gz OKXCHAYFVJEOBJ-UHFFFAOYSA-N 1 1 196.294 1.163 10 30 ADEEMO C=CC[N@@H+](C)CCNC(=O)C(C)(C)C 1317467784 1170196381 /nfs/dbraw/zinc/19/63/81/1170196381.db2.gz JWBNUMSMSVIDTM-UHFFFAOYSA-N 1 1 198.310 1.267 10 30 ADEEMO C=CCC[N@H+]1C[C@@H]2CCC[C@H](C1)C2O 1318707644 1170199929 /nfs/dbraw/zinc/19/99/29/1170199929.db2.gz XZEPRZLCRUWRKH-FOSCPWQOSA-N 1 1 195.306 1.655 10 30 ADEEMO C#CCC[N@H+]1C[C@@H]2CCC[C@H](C1)C2O 1319556010 1170201701 /nfs/dbraw/zinc/20/17/01/1170201701.db2.gz FRXZUENXVXVGET-FOSCPWQOSA-N 1 1 193.290 1.103 10 30 ADEEMO C#CC[N@H+](CCSC)CC1CC1 1319542738 1170202255 /nfs/dbraw/zinc/20/22/55/1170202255.db2.gz LHBSAYBBPHREFJ-UHFFFAOYSA-N 1 1 183.320 1.695 10 30 ADEEMO C#CC[N@@H+](CC1CC1)C[C@H](C)OC 1320734926 1170207848 /nfs/dbraw/zinc/20/78/48/1170207848.db2.gz GSJNKJFOWYZLBR-JTQLQIEISA-N 1 1 181.279 1.367 10 30 ADEEMO C#CC[N@@H+](CC1CC1)C[C@@H](C)OC 1320734937 1170208521 /nfs/dbraw/zinc/20/85/21/1170208521.db2.gz GSJNKJFOWYZLBR-SNVBAGLBSA-N 1 1 181.279 1.367 10 30 ADEEMO C=CCO[C@H]1CC[N@H+](CCCOC)C1 1320898736 1170209982 /nfs/dbraw/zinc/20/99/82/1170209982.db2.gz MTBIDBCZDUALSH-NSHDSACASA-N 1 1 199.294 1.300 10 30 ADEEMO C=CCO[C@@H]1CC[N@H+](CCCOC)C1 1320898735 1170210805 /nfs/dbraw/zinc/21/08/05/1170210805.db2.gz MTBIDBCZDUALSH-LLVKDONJSA-N 1 1 199.294 1.300 10 30 ADEEMO C=CC[N@H+](C)C[C@@H](C)NC(=O)C1CC1 1322103600 1170216227 /nfs/dbraw/zinc/21/62/27/1170216227.db2.gz JXWYTICOHJVBHS-SECBINFHSA-N 1 1 196.294 1.019 10 30 ADEEMO C=C(C)C[N@H+]1C[C@@H]2CCC[C@H](C1)C2O 1321882342 1170216345 /nfs/dbraw/zinc/21/63/45/1170216345.db2.gz HETKVTOKNAVTDK-FOSCPWQOSA-N 1 1 195.306 1.655 10 30 ADEEMO C=CC[N@H+](C)C[C@H](C)NC(=O)C1CC1 1322103601 1170217482 /nfs/dbraw/zinc/21/74/82/1170217482.db2.gz JXWYTICOHJVBHS-VIFPVBQESA-N 1 1 196.294 1.019 10 30 ADEEMO C#CCC[N@H+]1CC[C@@H]2OCCC[C@H]2C1 1324519847 1170225232 /nfs/dbraw/zinc/22/52/32/1170225232.db2.gz HTAHRHRVMVEMIC-RYUDHWBXSA-N 1 1 193.290 1.511 10 30 ADEEMO C#CCOCC[N@H+](C)CC1(C)CCC1 1324241018 1170221617 /nfs/dbraw/zinc/22/16/17/1170221617.db2.gz HCZCFIAXJSTCAL-UHFFFAOYSA-N 1 1 195.306 1.758 10 30 ADEEMO C#CCC[N@H+]1CC[C@H]2OCCC[C@@H]2C1 1324519848 1170223465 /nfs/dbraw/zinc/22/34/65/1170223465.db2.gz HTAHRHRVMVEMIC-VXGBXAGGSA-N 1 1 193.290 1.511 10 30 ADEEMO C#CC[N@@H+](CC1CC1)C[C@@H](C)COC 1324345021 1170224319 /nfs/dbraw/zinc/22/43/19/1170224319.db2.gz PJODFRXPSAFGIV-LLVKDONJSA-N 1 1 195.306 1.614 10 30 ADEEMO C#CCC[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 1324519845 1170224823 /nfs/dbraw/zinc/22/48/23/1170224823.db2.gz HTAHRHRVMVEMIC-NEPJUHHUSA-N 1 1 193.290 1.511 10 30 ADEEMO C#CC[N@@H+](CC1CC1)C[C@H](C)COC 1324345023 1170224980 /nfs/dbraw/zinc/22/49/80/1170224980.db2.gz PJODFRXPSAFGIV-NSHDSACASA-N 1 1 195.306 1.614 10 30 ADEEMO C#CCC[N@H+]1CC[C@H]2OCCC[C@H]2C1 1324519846 1170225142 /nfs/dbraw/zinc/22/51/42/1170225142.db2.gz HTAHRHRVMVEMIC-NWDGAFQWSA-N 1 1 193.290 1.511 10 30 ADEEMO C=CC[N@@H+]1CC[C@](C)(NC(=O)CC)C1 1324573500 1170225540 /nfs/dbraw/zinc/22/55/40/1170225540.db2.gz ZXKIFHQGARQKNB-NSHDSACASA-N 1 1 196.294 1.163 10 30 ADEEMO C=CC[N@@H+]1CC[C@@](C)(NC(=O)CC)C1 1324573499 1170226455 /nfs/dbraw/zinc/22/64/55/1170226455.db2.gz ZXKIFHQGARQKNB-LLVKDONJSA-N 1 1 196.294 1.163 10 30 ADEEMO C[C@@H](CCC#N)[N@H+]1C[C@@H](O)C2(CC2)C1 1325235229 1170228771 /nfs/dbraw/zinc/22/87/71/1170228771.db2.gz FFAPFFGTAIHCJY-VHSXEESVSA-N 1 1 194.278 1.135 10 30 ADEEMO C[C@@H](CCC#N)[N@H+]1C[C@H](O)C2(CC2)C1 1325235228 1170229461 /nfs/dbraw/zinc/22/94/61/1170229461.db2.gz FFAPFFGTAIHCJY-UWVGGRQHSA-N 1 1 194.278 1.135 10 30 ADEEMO C=CCO[C@H]1CC[N@H+](CCOCC)C1 1325228831 1170230279 /nfs/dbraw/zinc/23/02/79/1170230279.db2.gz SXSDKWHGSHYQLC-NSHDSACASA-N 1 1 199.294 1.300 10 30 ADEEMO C[C@H](CCC#N)[N@H+]1C[C@@H](O)C2(CC2)C1 1325235227 1170230538 /nfs/dbraw/zinc/23/05/38/1170230538.db2.gz FFAPFFGTAIHCJY-NXEZZACHSA-N 1 1 194.278 1.135 10 30 ADEEMO C=CCO[C@@H]1CC[N@H+](CCOCC)C1 1325228830 1170230781 /nfs/dbraw/zinc/23/07/81/1170230781.db2.gz SXSDKWHGSHYQLC-LLVKDONJSA-N 1 1 199.294 1.300 10 30 ADEEMO C[C@H](CCC#N)[N@H+]1C[C@H](O)C2(CC2)C1 1325235230 1170230951 /nfs/dbraw/zinc/23/09/51/1170230951.db2.gz FFAPFFGTAIHCJY-ZJUUUORDSA-N 1 1 194.278 1.135 10 30 ADEEMO C#CC[N@@H+](CC1CC1)[C@@H](CO)C(=C)C 1325994863 1170235178 /nfs/dbraw/zinc/23/51/78/1170235178.db2.gz MIXHJAHIFHSHLL-LBPRGKRZSA-N 1 1 193.290 1.269 10 30 ADEEMO C#CC[N@@H+](CC1CC1)[C@H](CO)C(=C)C 1325994862 1170235596 /nfs/dbraw/zinc/23/55/96/1170235596.db2.gz MIXHJAHIFHSHLL-GFCCVEGCSA-N 1 1 193.290 1.269 10 30 ADEEMO C#CC[N@@H+](CC1CC1)[C@H](C)CCOC 1325994097 1170235682 /nfs/dbraw/zinc/23/56/82/1170235682.db2.gz DXFXSPRTKKMNJV-LLVKDONJSA-N 1 1 195.306 1.757 10 30 ADEEMO C=CCOCCOc1cc[nH+]c(C)c1 1326146185 1170238551 /nfs/dbraw/zinc/23/85/51/1170238551.db2.gz DKVBOEJZBJRZKL-UHFFFAOYSA-N 1 1 193.246 1.971 10 30 ADEEMO C#CC[N@@H+](CC1CC1)[C@@H](C)CCOC 1325994098 1170237038 /nfs/dbraw/zinc/23/70/38/1170237038.db2.gz DXFXSPRTKKMNJV-NSHDSACASA-N 1 1 195.306 1.757 10 30 ADEEMO C#CCOCC[N@H+](C)CCC=C(C)C 1327517054 1170251817 /nfs/dbraw/zinc/25/18/17/1170251817.db2.gz AXINLBISRZWTOR-UHFFFAOYSA-N 1 1 195.306 1.924 10 30 ADEEMO C=C(CC)C[N@H+]1CC[C@]12CCOC2 1327573186 1170252291 /nfs/dbraw/zinc/25/22/91/1170252291.db2.gz LGIZHJXACKFZDN-LLVKDONJSA-N 1 1 181.279 1.817 10 30 ADEEMO C=C(CC)C[N@H+]1CC[C@@]12CCOC2 1327573188 1170252313 /nfs/dbraw/zinc/25/23/13/1170252313.db2.gz LGIZHJXACKFZDN-NSHDSACASA-N 1 1 181.279 1.817 10 30 ADEEMO Cc1noc([C@H]([NH3+])CCCCC#N)n1 1327573390 1170252714 /nfs/dbraw/zinc/25/27/14/1170252714.db2.gz CHCWHRLWKXQMII-MRVPVSSYSA-N 1 1 194.238 1.462 10 30 ADEEMO C=CCOCC[N@H+]1CC[C@]12CCOC2 1327574006 1170252848 /nfs/dbraw/zinc/25/28/48/1170252848.db2.gz SVTYQUACMUXBBZ-LLVKDONJSA-N 1 1 197.278 1.054 10 30 ADEEMO C=C(C)C[N@H+]1CC[C@@]12CCOC2 1327572378 1170252915 /nfs/dbraw/zinc/25/29/15/1170252915.db2.gz CRUUXGCMKGTBNJ-JTQLQIEISA-N 1 1 167.252 1.427 10 30 ADEEMO Cc1noc([C@@H]([NH3+])CCCCC#N)n1 1327573391 1170252959 /nfs/dbraw/zinc/25/29/59/1170252959.db2.gz CHCWHRLWKXQMII-QMMMGPOBSA-N 1 1 194.238 1.462 10 30 ADEEMO C=C(C)C[N@H+]1CC[C@]12CCOC2 1327572379 1170253144 /nfs/dbraw/zinc/25/31/44/1170253144.db2.gz CRUUXGCMKGTBNJ-SNVBAGLBSA-N 1 1 167.252 1.427 10 30 ADEEMO C=CCOCC[N@H+]1CC[C@@]12CCOC2 1327574007 1170253410 /nfs/dbraw/zinc/25/34/10/1170253410.db2.gz SVTYQUACMUXBBZ-NSHDSACASA-N 1 1 197.278 1.054 10 30 ADEEMO C#CC[N@H+](C)CC1CCC(O)CC1 1327554851 1170253482 /nfs/dbraw/zinc/25/34/82/1170253482.db2.gz OFHNOORDMYSJDA-UHFFFAOYSA-N 1 1 181.279 1.103 10 30 ADEEMO N#CCCC[N@H+]1CC[C@@]12CCOC2 1328414621 1170261619 /nfs/dbraw/zinc/26/16/19/1170261619.db2.gz ZUBZXJLOZQFEEN-JTQLQIEISA-N 1 1 180.251 1.155 10 30 ADEEMO N#CCCC[N@H+]1CC[C@]12CCOC2 1328414622 1170262237 /nfs/dbraw/zinc/26/22/37/1170262237.db2.gz ZUBZXJLOZQFEEN-SNVBAGLBSA-N 1 1 180.251 1.155 10 30 ADEEMO C=C(C)CC[N@H+](C)[C@@H](C)CNC(C)=O 1329373987 1170268306 /nfs/dbraw/zinc/26/83/06/1170268306.db2.gz YCNDBIJDWYMIMJ-JTQLQIEISA-N 1 1 198.310 1.409 10 30 ADEEMO C=C(C)CC[N@H+](C)[C@H](C)CNC(C)=O 1329373988 1170268966 /nfs/dbraw/zinc/26/89/66/1170268966.db2.gz YCNDBIJDWYMIMJ-SNVBAGLBSA-N 1 1 198.310 1.409 10 30 ADEEMO C#CCOCC[N@@H+](C)CC(=C)Cl 1329876861 1170274904 /nfs/dbraw/zinc/27/49/04/1170274904.db2.gz CXIUGFHEQDRTAB-UHFFFAOYSA-N 1 1 187.670 1.321 10 30 ADEEMO C#CCOCC[N@H+](C)CC(=C)Cl 1329876861 1170274907 /nfs/dbraw/zinc/27/49/07/1170274907.db2.gz CXIUGFHEQDRTAB-UHFFFAOYSA-N 1 1 187.670 1.321 10 30 ADEEMO C=C[C@@H](COC)[NH2+]Cc1cnc(C)o1 1330100727 1170276847 /nfs/dbraw/zinc/27/68/47/1170276847.db2.gz UBMZVLZIDUSADG-VIFPVBQESA-N 1 1 196.250 1.274 10 30 ADEEMO C=C[C@H](COC)[NH2+]Cc1cnc(C)o1 1330100265 1170277075 /nfs/dbraw/zinc/27/70/75/1170277075.db2.gz UBMZVLZIDUSADG-SECBINFHSA-N 1 1 196.250 1.274 10 30 ADEEMO C#CC[N@H+](CCOCC=C)CC1CC1 1330548637 1170279301 /nfs/dbraw/zinc/27/93/01/1170279301.db2.gz GOCRWYMOACOPAY-UHFFFAOYSA-N 1 1 193.290 1.534 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)CC1CCC(O)CC1 1330567783 1170280498 /nfs/dbraw/zinc/28/04/98/1170280498.db2.gz QOJJISMDOQCNFJ-UNXYVOJBSA-N 1 1 195.306 1.491 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)CC1CCC(O)CC1 1330567785 1170280891 /nfs/dbraw/zinc/28/08/91/1170280891.db2.gz QOJJISMDOQCNFJ-VOMCLLRMSA-N 1 1 195.306 1.491 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@](O)(C2CC2)C1 1330653542 1170282045 /nfs/dbraw/zinc/28/20/45/1170282045.db2.gz AUWXGGKMPXHEPW-CMPLNLGQSA-N 1 1 195.306 1.798 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CC[C@@](O)(C2CC2)C1 1330653546 1170282273 /nfs/dbraw/zinc/28/22/73/1170282273.db2.gz AUWXGGKMPXHEPW-PWSUYJOCSA-N 1 1 195.306 1.798 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@@](O)(C2CC2)C1 1330653544 1170282286 /nfs/dbraw/zinc/28/22/86/1170282286.db2.gz AUWXGGKMPXHEPW-JQWIXIFHSA-N 1 1 195.306 1.798 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CC[C@](O)(C2CC2)C1 1330653548 1170282640 /nfs/dbraw/zinc/28/26/40/1170282640.db2.gz AUWXGGKMPXHEPW-ZYHUDNBSSA-N 1 1 195.306 1.798 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@H](OC)C1 1330659384 1170282680 /nfs/dbraw/zinc/28/26/80/1170282680.db2.gz ZLQDCRKEHPYZNI-UWVGGRQHSA-N 1 1 169.268 1.672 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CC[C@H](OC)C1 1330659386 1170283470 /nfs/dbraw/zinc/28/34/70/1170283470.db2.gz ZLQDCRKEHPYZNI-ZJUUUORDSA-N 1 1 169.268 1.672 10 30 ADEEMO C#C[C@H](C)[N@H+](C)CC1(OC)CCC1 1331689921 1170292854 /nfs/dbraw/zinc/29/28/54/1170292854.db2.gz QQGFNHCCRHPVIG-JTQLQIEISA-N 1 1 181.279 1.509 10 30 ADEEMO C#C[C@@H](C)[N@H+](C)CC1(OC)CCC1 1331689922 1170293148 /nfs/dbraw/zinc/29/31/48/1170293148.db2.gz QQGFNHCCRHPVIG-SNVBAGLBSA-N 1 1 181.279 1.509 10 30 ADEEMO C#CC[N@H+](CC)C1CCN(CC)CC1 1331817342 1170294989 /nfs/dbraw/zinc/29/49/89/1170294989.db2.gz FPMDBMSBLLZMDL-UHFFFAOYSA-N 1 1 194.322 1.426 10 30 ADEEMO C#CCN(CC)C1CC[NH+](CC)CC1 1331817342 1170294997 /nfs/dbraw/zinc/29/49/97/1170294997.db2.gz FPMDBMSBLLZMDL-UHFFFAOYSA-N 1 1 194.322 1.426 10 30 ADEEMO C=CC[C@H](C)[N@@H+]1C[C@H]2COC[C@H]2C1 1331824328 1170295579 /nfs/dbraw/zinc/29/55/79/1170295579.db2.gz ROXDKXFRUHXDGM-GARJFASQSA-N 1 1 181.279 1.529 10 30 ADEEMO C=CC[C@@H](C)[N@@H+]1C[C@H]2COC[C@H]2C1 1331824331 1170295596 /nfs/dbraw/zinc/29/55/96/1170295596.db2.gz ROXDKXFRUHXDGM-MXWKQRLJSA-N 1 1 181.279 1.529 10 30 ADEEMO C#CC[N@H+](CC1(OC)CCC1)C1CC1 1332961760 1170313119 /nfs/dbraw/zinc/31/31/19/1170313119.db2.gz NEYWWGYTHLJVFG-UHFFFAOYSA-N 1 1 193.290 1.653 10 30 ADEEMO C#CC[N@H+](C)CC1CCC(C#N)CC1 1332979613 1170313540 /nfs/dbraw/zinc/31/35/40/1170313540.db2.gz DQGVYAFBSRNVOJ-UHFFFAOYSA-N 1 1 190.290 1.881 10 30 ADEEMO N#Cc1cncc(C[N@H+]2CC=CCC2)c1 1332746029 1170311284 /nfs/dbraw/zinc/31/12/84/1170311284.db2.gz UAHHNTZRBBFKKG-UHFFFAOYSA-N 1 1 199.257 1.715 10 30 ADEEMO N#Cc1cncc(C[N@@H+]2CC=CCC2)c1 1332746029 1170311291 /nfs/dbraw/zinc/31/12/91/1170311291.db2.gz UAHHNTZRBBFKKG-UHFFFAOYSA-N 1 1 199.257 1.715 10 30 ADEEMO C=CC[N@H+](C)C[C@@H]1CCC2(COC2)O1 1332903964 1170312982 /nfs/dbraw/zinc/31/29/82/1170312982.db2.gz XYXWBQYCQZOEOD-JTQLQIEISA-N 1 1 197.278 1.052 10 30 ADEEMO C=CC[N@H+](C)C[C@H]1CCC2(COC2)O1 1332903965 1170314501 /nfs/dbraw/zinc/31/45/01/1170314501.db2.gz XYXWBQYCQZOEOD-SNVBAGLBSA-N 1 1 197.278 1.052 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)CCc1ccns1 1333036020 1170316266 /nfs/dbraw/zinc/31/62/66/1170316266.db2.gz DOLNXAFOQCBAIJ-VIFPVBQESA-N 1 1 194.303 1.639 10 30 ADEEMO C#C[C@@H](C)[N@H+](C)C/C=C(/C)COC 1333036013 1170316738 /nfs/dbraw/zinc/31/67/38/1170316738.db2.gz DLIHACYUNCTYLA-ZJRUKIMVSA-N 1 1 181.279 1.533 10 30 ADEEMO C#C[C@@H](C)[N@H+](C)C/C=C(\C)COC 1333036011 1170317063 /nfs/dbraw/zinc/31/70/63/1170317063.db2.gz DLIHACYUNCTYLA-PFEDMVJOSA-N 1 1 181.279 1.533 10 30 ADEEMO C=CCO[C@H]1CC[N@H+]([C@H](C)COC)C1 1333010834 1170317234 /nfs/dbraw/zinc/31/72/34/1170317234.db2.gz UTJILDNHLMSPCX-MNOVXSKESA-N 1 1 199.294 1.298 10 30 ADEEMO C=CCO[C@@H]1CC[N@H+]([C@H](C)COC)C1 1333010833 1170317374 /nfs/dbraw/zinc/31/73/74/1170317374.db2.gz UTJILDNHLMSPCX-GHMZBOCLSA-N 1 1 199.294 1.298 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CCn2cncc2C1 1333039299 1170317559 /nfs/dbraw/zinc/31/75/59/1170317559.db2.gz UXCBSVWWOFBJIV-SNVBAGLBSA-N 1 1 191.278 1.663 10 30 ADEEMO C#C[C@H](C)[N@H+](C)C/C=C(\C)COC 1333036010 1170317765 /nfs/dbraw/zinc/31/77/65/1170317765.db2.gz DLIHACYUNCTYLA-HUYFXPKMSA-N 1 1 181.279 1.533 10 30 ADEEMO C#C[C@H](C)[N@H+](C)C/C=C(/C)COC 1333036008 1170317831 /nfs/dbraw/zinc/31/78/31/1170317831.db2.gz DLIHACYUNCTYLA-BRNRAETOSA-N 1 1 181.279 1.533 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)CCc1ccns1 1333036018 1170318442 /nfs/dbraw/zinc/31/84/42/1170318442.db2.gz DOLNXAFOQCBAIJ-SECBINFHSA-N 1 1 194.303 1.639 10 30 ADEEMO C=CCO[C@@H]1CC[N@H+]([C@@H](C)COC)C1 1333010837 1170318514 /nfs/dbraw/zinc/31/85/14/1170318514.db2.gz UTJILDNHLMSPCX-WDEREUQCSA-N 1 1 199.294 1.298 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CCn2cncc2C1 1333039014 1170318625 /nfs/dbraw/zinc/31/86/25/1170318625.db2.gz UXCBSVWWOFBJIV-JTQLQIEISA-N 1 1 191.278 1.663 10 30 ADEEMO C=CCO[C@H]1CC[N@H+]([C@@H](C)COC)C1 1333010835 1170318679 /nfs/dbraw/zinc/31/86/79/1170318679.db2.gz UTJILDNHLMSPCX-QWRGUYRKSA-N 1 1 199.294 1.298 10 30 ADEEMO C#CC[C@@H]1CC[N@@H+](CC2(C#N)CC2)C1 1333468420 1170324485 /nfs/dbraw/zinc/32/44/85/1170324485.db2.gz XHFUDUWOWHDUFE-LLVKDONJSA-N 1 1 188.274 1.635 10 30 ADEEMO C#C[C@@H]1CCCC[N@@H+]1CC1(C#N)CC1 1333436987 1170324554 /nfs/dbraw/zinc/32/45/54/1170324554.db2.gz DLABCVGSLOYEFR-LLVKDONJSA-N 1 1 188.274 1.778 10 30 ADEEMO C#C[C@@H]1CCCC[N@H+]1CC1(C#N)CC1 1333436987 1170324562 /nfs/dbraw/zinc/32/45/62/1170324562.db2.gz DLABCVGSLOYEFR-LLVKDONJSA-N 1 1 188.274 1.778 10 30 ADEEMO C#CC[C@H]1CC[N@@H+](CC2(C#N)CC2)C1 1333468426 1170324757 /nfs/dbraw/zinc/32/47/57/1170324757.db2.gz XHFUDUWOWHDUFE-NSHDSACASA-N 1 1 188.274 1.635 10 30 ADEEMO C#C[C@H]1CCCC[N@@H+]1CC1(C#N)CC1 1333436989 1170325497 /nfs/dbraw/zinc/32/54/97/1170325497.db2.gz DLABCVGSLOYEFR-NSHDSACASA-N 1 1 188.274 1.778 10 30 ADEEMO C#C[C@H]1CCCC[N@H+]1CC1(C#N)CC1 1333436989 1170325506 /nfs/dbraw/zinc/32/55/06/1170325506.db2.gz DLABCVGSLOYEFR-NSHDSACASA-N 1 1 188.274 1.778 10 30 ADEEMO C#C[C@@H](C)[N@H+](C)Cc1cncc(C#N)c1 1333485638 1170325541 /nfs/dbraw/zinc/32/55/41/1170325541.db2.gz GSDXQFYYFDSOAX-SNVBAGLBSA-N 1 1 199.257 1.407 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)Cc1cncc(C#N)c1 1333485638 1170325547 /nfs/dbraw/zinc/32/55/47/1170325547.db2.gz GSDXQFYYFDSOAX-SNVBAGLBSA-N 1 1 199.257 1.407 10 30 ADEEMO C#C[C@H](C)[N@H+](C)Cc1cncc(C#N)c1 1333485637 1170326879 /nfs/dbraw/zinc/32/68/79/1170326879.db2.gz GSDXQFYYFDSOAX-JTQLQIEISA-N 1 1 199.257 1.407 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)Cc1cncc(C#N)c1 1333485637 1170326884 /nfs/dbraw/zinc/32/68/84/1170326884.db2.gz GSDXQFYYFDSOAX-JTQLQIEISA-N 1 1 199.257 1.407 10 30 ADEEMO C#CC[N@H+](CC1(C#N)CC1)C(C)C 1333757254 1170332099 /nfs/dbraw/zinc/33/20/99/1170332099.db2.gz FCATWMHIZUSUTK-UHFFFAOYSA-N 1 1 176.263 1.634 10 30 ADEEMO C#CC[N@@H+](CC1(C#N)CC1)C(C)C 1333757254 1170332105 /nfs/dbraw/zinc/33/21/05/1170332105.db2.gz FCATWMHIZUSUTK-UHFFFAOYSA-N 1 1 176.263 1.634 10 30 ADEEMO C#CC[N@@H+](C)Cc1cc(C)nnc1C 1334189125 1170336984 /nfs/dbraw/zinc/33/69/84/1170336984.db2.gz UFZVTKULFIABIN-UHFFFAOYSA-N 1 1 189.262 1.158 10 30 ADEEMO C#CC[N@H+](C)Cc1cc(C)nnc1C 1334189125 1170336990 /nfs/dbraw/zinc/33/69/90/1170336990.db2.gz UFZVTKULFIABIN-UHFFFAOYSA-N 1 1 189.262 1.158 10 30 ADEEMO C#CC[N@@H+](C)[C@@H](C)c1ccc(F)nc1 1334189660 1170337116 /nfs/dbraw/zinc/33/71/16/1170337116.db2.gz WEWQCYMNRZKSPP-VIFPVBQESA-N 1 1 192.237 1.847 10 30 ADEEMO C#CC[N@H+](C)[C@@H](C)c1ccc(F)nc1 1334189660 1170337123 /nfs/dbraw/zinc/33/71/23/1170337123.db2.gz WEWQCYMNRZKSPP-VIFPVBQESA-N 1 1 192.237 1.847 10 30 ADEEMO C=CC[N@H+](C)C[C@@H]1C[C@H]1C(=O)OCC 1334094635 1170337177 /nfs/dbraw/zinc/33/71/77/1170337177.db2.gz QMMOKVLJOHSSAN-VHSXEESVSA-N 1 1 197.278 1.303 10 30 ADEEMO C#CC[N@H+](C)C[C@H](COC)C(C)C 1334185727 1170337841 /nfs/dbraw/zinc/33/78/41/1170337841.db2.gz DVMIOWAESMNDIQ-LLVKDONJSA-N 1 1 183.295 1.470 10 30 ADEEMO C#CC[N@@H+](C)[C@H](C)c1ccc(F)nc1 1334189611 1170338738 /nfs/dbraw/zinc/33/87/38/1170338738.db2.gz WEWQCYMNRZKSPP-SECBINFHSA-N 1 1 192.237 1.847 10 30 ADEEMO C#CC[N@H+](C)[C@H](C)c1ccc(F)nc1 1334189611 1170338747 /nfs/dbraw/zinc/33/87/47/1170338747.db2.gz WEWQCYMNRZKSPP-SECBINFHSA-N 1 1 192.237 1.847 10 30 ADEEMO C#CC[N@H+](C)C[C@@H](COC)C(C)C 1334185744 1170339119 /nfs/dbraw/zinc/33/91/19/1170339119.db2.gz DVMIOWAESMNDIQ-NSHDSACASA-N 1 1 183.295 1.470 10 30 ADEEMO C=CC[N@@H+](C)CCc1nnc(C)o1 1334092964 1170339637 /nfs/dbraw/zinc/33/96/37/1170339637.db2.gz BPRYVWIBTWQZFH-UHFFFAOYSA-N 1 1 181.239 1.038 10 30 ADEEMO C=C[C@@H]1CCCC[N@@H+]1CC[N+](=O)[O-] 1334887136 1170346321 /nfs/dbraw/zinc/34/63/21/1170346321.db2.gz FRUOVQLLYWCLBO-SECBINFHSA-N 1 1 184.239 1.304 10 30 ADEEMO C=C[C@H]1CCCC[N@@H+]1CC[N+](=O)[O-] 1334887137 1170348919 /nfs/dbraw/zinc/34/89/19/1170348919.db2.gz FRUOVQLLYWCLBO-VIFPVBQESA-N 1 1 184.239 1.304 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1[C@H](C)[C@H](C)O 1335161179 1170349259 /nfs/dbraw/zinc/34/92/59/1170349259.db2.gz ZOYQFKRWPLIGQO-KXUCPTDWSA-N 1 1 169.268 1.406 10 30 ADEEMO C=CC(C)(C)NC(=O)C[N@H+](C)C(C)C 1335373163 1170355624 /nfs/dbraw/zinc/35/56/24/1170355624.db2.gz JXDXQTBLKJWDMI-UHFFFAOYSA-N 1 1 198.310 1.407 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1[C@@H](C)[C@H](C)O 1335161180 1170350149 /nfs/dbraw/zinc/35/01/49/1170350149.db2.gz ZOYQFKRWPLIGQO-LPEHRKFASA-N 1 1 169.268 1.406 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1[C@@H](C)[C@@H](C)O 1335161175 1170351672 /nfs/dbraw/zinc/35/16/72/1170351672.db2.gz ZOYQFKRWPLIGQO-IVZWLZJFSA-N 1 1 169.268 1.406 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1[C@H](C)[C@@H](C)O 1335161181 1170351745 /nfs/dbraw/zinc/35/17/45/1170351745.db2.gz ZOYQFKRWPLIGQO-OPRDCNLKSA-N 1 1 169.268 1.406 10 30 ADEEMO C#CC[N@H+](C/C=C(/C)COC)C1CC1 1335800566 1170358992 /nfs/dbraw/zinc/35/89/92/1170358992.db2.gz QKJVUVPXGOJZAW-XFFZJAGNSA-N 1 1 193.290 1.677 10 30 ADEEMO C#CC[N@H+](C/C=C(\C)COC)C1CC1 1335800567 1170359861 /nfs/dbraw/zinc/35/98/61/1170359861.db2.gz QKJVUVPXGOJZAW-YRNVUSSQSA-N 1 1 193.290 1.677 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)Cc1ccc(N)nc1 1335957582 1170364333 /nfs/dbraw/zinc/36/43/33/1170364333.db2.gz DTMUFSKMHCPUEZ-VIFPVBQESA-N 1 1 189.262 1.117 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(N)nc1 1335957581 1170364501 /nfs/dbraw/zinc/36/45/01/1170364501.db2.gz DTMUFSKMHCPUEZ-SECBINFHSA-N 1 1 189.262 1.117 10 30 ADEEMO C=CCCC[N@H+](CC)C[C@@H](C)N 1336097115 1170365792 /nfs/dbraw/zinc/36/57/92/1170365792.db2.gz VOUOQKHZJHGTCS-SNVBAGLBSA-N 1 1 170.300 1.622 10 30 ADEEMO C=CCCCN(CC)C[C@@H](C)[NH3+] 1336097115 1170365797 /nfs/dbraw/zinc/36/57/97/1170365797.db2.gz VOUOQKHZJHGTCS-SNVBAGLBSA-N 1 1 170.300 1.622 10 30 ADEEMO C=CCCC[N@H+](CC)C[C@H](C)N 1336097114 1170367344 /nfs/dbraw/zinc/36/73/44/1170367344.db2.gz VOUOQKHZJHGTCS-JTQLQIEISA-N 1 1 170.300 1.622 10 30 ADEEMO C=CCCCN(CC)C[C@H](C)[NH3+] 1336097114 1170367349 /nfs/dbraw/zinc/36/73/49/1170367349.db2.gz VOUOQKHZJHGTCS-JTQLQIEISA-N 1 1 170.300 1.622 10 30 ADEEMO C=CC[N@@H+](C)Cc1ccc(OC)o1 1336761513 1170381234 /nfs/dbraw/zinc/38/12/34/1170381234.db2.gz POULKPUFOYVALS-UHFFFAOYSA-N 1 1 181.235 1.906 10 30 ADEEMO C=CC[N@H+](C)Cc1ccc(OC)o1 1336761513 1170381239 /nfs/dbraw/zinc/38/12/39/1170381239.db2.gz POULKPUFOYVALS-UHFFFAOYSA-N 1 1 181.235 1.906 10 30 ADEEMO C=CCO[C@@H]1CC[N@@H+](CCCC#N)C1 1337647836 1170396383 /nfs/dbraw/zinc/39/63/83/1170396383.db2.gz BCEPRQVQWJFGOY-LLVKDONJSA-N 1 1 194.278 1.567 10 30 ADEEMO C=CCO[C@H]1CC[N@@H+](CCCC#N)C1 1337647838 1170398472 /nfs/dbraw/zinc/39/84/72/1170398472.db2.gz BCEPRQVQWJFGOY-NSHDSACASA-N 1 1 194.278 1.567 10 30 ADEEMO C#CCCNc1cc(F)cc(C)[nH+]1 1337864656 1170400596 /nfs/dbraw/zinc/40/05/96/1170400596.db2.gz GCGGDZIWDGSYAO-UHFFFAOYSA-N 1 1 178.210 1.964 10 30 ADEEMO CC#CC[N@H+]1C[C@@H]2CCC[C@H](C1)C2O 1339446352 1170421492 /nfs/dbraw/zinc/42/14/92/1170421492.db2.gz CXUFRRKHOWUABT-FOSCPWQOSA-N 1 1 193.290 1.103 10 30 ADEEMO C#CC[N@H+](C)C/C=C(/C)COC 1341347969 1170434509 /nfs/dbraw/zinc/43/45/09/1170434509.db2.gz YBJOJTKVIDJAKG-POHAHGRESA-N 1 1 167.252 1.144 10 30 ADEEMO C#C[C@H](C)[N@H+](C)C[C@@H](COC)C(C)C 1341394635 1170435162 /nfs/dbraw/zinc/43/51/62/1170435162.db2.gz ZZKCPJPSEJJXBC-RYUDHWBXSA-N 1 1 197.322 1.859 10 30 ADEEMO C#C[C@H](C)[N@H+](C)C[C@H](COC)C(C)C 1341394634 1170435248 /nfs/dbraw/zinc/43/52/48/1170435248.db2.gz ZZKCPJPSEJJXBC-NWDGAFQWSA-N 1 1 197.322 1.859 10 30 ADEEMO C#CC[N@H+](C)C/C=C(\C)COC 1341347971 1170435441 /nfs/dbraw/zinc/43/54/41/1170435441.db2.gz YBJOJTKVIDJAKG-UXBLZVDNSA-N 1 1 167.252 1.144 10 30 ADEEMO C#C[C@@H](C)[N@H+](C)C[C@H](COC)C(C)C 1341394637 1170436200 /nfs/dbraw/zinc/43/62/00/1170436200.db2.gz ZZKCPJPSEJJXBC-VXGBXAGGSA-N 1 1 197.322 1.859 10 30 ADEEMO C#C[C@@H](C)[N@H+](C)C[C@@H](COC)C(C)C 1341394631 1170436248 /nfs/dbraw/zinc/43/62/48/1170436248.db2.gz ZZKCPJPSEJJXBC-NEPJUHHUSA-N 1 1 197.322 1.859 10 30 ADEEMO C=CCO[C@@H]1CC[N@H+](C[C@@H](C)OC)C1 1342229644 1170445274 /nfs/dbraw/zinc/44/52/74/1170445274.db2.gz WHCWZNDBZYHARG-GHMZBOCLSA-N 1 1 199.294 1.298 10 30 ADEEMO C=CCO[C@@H]1CC[N@H+](C[C@H](C)OC)C1 1342229647 1170445502 /nfs/dbraw/zinc/44/55/02/1170445502.db2.gz WHCWZNDBZYHARG-WDEREUQCSA-N 1 1 199.294 1.298 10 30 ADEEMO C=CCO[C@H]1CC[N@H+](C[C@H](C)OC)C1 1342229646 1170445702 /nfs/dbraw/zinc/44/57/02/1170445702.db2.gz WHCWZNDBZYHARG-QWRGUYRKSA-N 1 1 199.294 1.298 10 30 ADEEMO C=CCO[C@H]1CC[N@H+](C[C@@H](C)OC)C1 1342229645 1170445908 /nfs/dbraw/zinc/44/59/08/1170445908.db2.gz WHCWZNDBZYHARG-MNOVXSKESA-N 1 1 199.294 1.298 10 30 ADEEMO C=CCC[N@H+]1CC[C@]12CCOC2 1345213986 1170470286 /nfs/dbraw/zinc/47/02/86/1170470286.db2.gz FKFYJVSEPOBNCM-SNVBAGLBSA-N 1 1 167.252 1.427 10 30 ADEEMO C=CCC[N@H+]1CC[C@@]12CCOC2 1345213985 1170470689 /nfs/dbraw/zinc/47/06/89/1170470689.db2.gz FKFYJVSEPOBNCM-JTQLQIEISA-N 1 1 167.252 1.427 10 30 ADEEMO C#CCOCC[N@H+](C)CCC1CCC1 1347103593 1170488312 /nfs/dbraw/zinc/48/83/12/1170488312.db2.gz CEOUENWDVDKGSW-UHFFFAOYSA-N 1 1 195.306 1.758 10 30 ADEEMO COCC#CCOc1cc[nH+]c(C)c1 1347319285 1170490530 /nfs/dbraw/zinc/49/05/30/1170490530.db2.gz DEXHZXYGYZVAPB-UHFFFAOYSA-N 1 1 191.230 1.419 10 30 ADEEMO C#CCOCC[N@@H+]1CC[C@@H](CC=C)C1 1348204597 1170499322 /nfs/dbraw/zinc/49/93/22/1170499322.db2.gz BPQOCFWTUHHRBM-GFCCVEGCSA-N 1 1 193.290 1.534 10 30 ADEEMO C#CC[N@@H+](CC1CC1)C[C@@H](O)C1CC1 1348070316 1170500108 /nfs/dbraw/zinc/50/01/08/1170500108.db2.gz CBZMJTBFTAVLCS-GFCCVEGCSA-N 1 1 193.290 1.103 10 30 ADEEMO C#CC[N@@H+](CC1CC1)C[C@H](O)C1CC1 1348070317 1170500162 /nfs/dbraw/zinc/50/01/62/1170500162.db2.gz CBZMJTBFTAVLCS-LBPRGKRZSA-N 1 1 193.290 1.103 10 30 ADEEMO C#CCOCC[N@@H+]1CC[C@H](CC=C)C1 1348204598 1170500797 /nfs/dbraw/zinc/50/07/97/1170500797.db2.gz BPQOCFWTUHHRBM-LBPRGKRZSA-N 1 1 193.290 1.534 10 30 ADEEMO C=C(CC)C(=O)NC[C@@H]1CCC[N@H+]1C 1348911302 1170507391 /nfs/dbraw/zinc/50/73/91/1170507391.db2.gz WMKLASURLLSQJF-JTQLQIEISA-N 1 1 196.294 1.163 10 30 ADEEMO C=CC[N@H+](C)CC1(OC)CCC1 1349586933 1170511381 /nfs/dbraw/zinc/51/13/81/1170511381.db2.gz VTPMXFPLWRHCOE-UHFFFAOYSA-N 1 1 169.268 1.673 10 30 ADEEMO C=CC[C@@H](C)[N@@H+](C)Cc1nccn1C 1349647973 1170511561 /nfs/dbraw/zinc/51/15/61/1170511561.db2.gz YSNHZNGVYNTNSQ-SNVBAGLBSA-N 1 1 193.294 1.817 10 30 ADEEMO C=CC[C@H](C)[N@@H+](C)Cc1nccn1C 1349647971 1170511828 /nfs/dbraw/zinc/51/18/28/1170511828.db2.gz YSNHZNGVYNTNSQ-JTQLQIEISA-N 1 1 193.294 1.817 10 30 ADEEMO C#CC[N@H+](CC)CC1(OC)CCC1 1349586728 1170512275 /nfs/dbraw/zinc/51/22/75/1170512275.db2.gz NVCMEDIPPJPMKY-UHFFFAOYSA-N 1 1 181.279 1.511 10 30 ADEEMO C[C@@H]1CC[C@H](CO)[N@H+]1CC1(C#N)CC1 1349709732 1170514489 /nfs/dbraw/zinc/51/44/89/1170514489.db2.gz BDZOHNYMONCPBY-NXEZZACHSA-N 1 1 194.278 1.135 10 30 ADEEMO C=C[C@@H](COC)[NH2+]Cc1cc(C)co1 1350295263 1170517826 /nfs/dbraw/zinc/51/78/26/1170517826.db2.gz XIORYFMQZFZELW-JTQLQIEISA-N 1 1 195.262 1.879 10 30 ADEEMO C=C[C@H](COC)[NH2+]Cc1cc(C)co1 1350295264 1170519453 /nfs/dbraw/zinc/51/94/53/1170519453.db2.gz XIORYFMQZFZELW-SNVBAGLBSA-N 1 1 195.262 1.879 10 30 ADEEMO CC[C@@H]1[C@H](C)CC[N@H+]1C[C@H](O)CC#N 1351320186 1170525404 /nfs/dbraw/zinc/52/54/04/1170525404.db2.gz LUBFEKSKWJVXCN-GMTAPVOTSA-N 1 1 196.294 1.381 10 30 ADEEMO C=CC[C@@H]1CC[N@H+]1CC1(C#N)CC1 1351754855 1170525583 /nfs/dbraw/zinc/52/55/83/1170525583.db2.gz CXUAXILRPIJNOS-SNVBAGLBSA-N 1 1 176.263 1.941 10 30 ADEEMO C=CC[N@H+](C)Cc1cnn(CCF)c1 1351333381 1170525919 /nfs/dbraw/zinc/52/59/19/1170525919.db2.gz ZUHWXAUGHVYBOM-UHFFFAOYSA-N 1 1 197.257 1.470 10 30 ADEEMO C=CC[N@@H+](C)Cc1cc(C)nnc1C 1351333207 1170525939 /nfs/dbraw/zinc/52/59/39/1170525939.db2.gz XZFMTTSCPNDILX-UHFFFAOYSA-N 1 1 191.278 1.711 10 30 ADEEMO C=CC[N@H+](C)Cc1cc(C)nnc1C 1351333207 1170525946 /nfs/dbraw/zinc/52/59/46/1170525946.db2.gz XZFMTTSCPNDILX-UHFFFAOYSA-N 1 1 191.278 1.711 10 30 ADEEMO C#CC[N@@H+](C)CCc1ccns1 1351387596 1170526150 /nfs/dbraw/zinc/52/61/50/1170526150.db2.gz LVLLTKZMEQSABS-UHFFFAOYSA-N 1 1 180.276 1.251 10 30 ADEEMO CC[C@H]1[C@@H](C)CC[N@H+]1C[C@H](O)CC#N 1351320185 1170526309 /nfs/dbraw/zinc/52/63/09/1170526309.db2.gz LUBFEKSKWJVXCN-AXFHLTTASA-N 1 1 196.294 1.381 10 30 ADEEMO C=CC[C@H]1CC[N@H+]1CC1(C#N)CC1 1351754654 1170527693 /nfs/dbraw/zinc/52/76/93/1170527693.db2.gz CXUAXILRPIJNOS-JTQLQIEISA-N 1 1 176.263 1.941 10 30 ADEEMO CC[C@@H]1[C@@H](C)CC[N@H+]1C[C@H](O)CC#N 1351320187 1170528096 /nfs/dbraw/zinc/52/80/96/1170528096.db2.gz LUBFEKSKWJVXCN-HBNTYKKESA-N 1 1 196.294 1.381 10 30 ADEEMO CC[C@H]1[C@H](C)CC[N@H+]1C[C@H](O)CC#N 1351320188 1170528284 /nfs/dbraw/zinc/52/82/84/1170528284.db2.gz LUBFEKSKWJVXCN-MXWKQRLJSA-N 1 1 196.294 1.381 10 30 ADEEMO C=CC(C)(C)NC(=O)C[N@H+](C)CCC 1351904560 1170530111 /nfs/dbraw/zinc/53/01/11/1170530111.db2.gz BLVBTAYHTHEBLR-UHFFFAOYSA-N 1 1 198.310 1.409 10 30 ADEEMO C=CC[C@H](C)[N@H+]1C[C@H](O)C2(CC2)C1 1352890665 1170533844 /nfs/dbraw/zinc/53/38/44/1170533844.db2.gz VJIUGUPTURDAAH-UWVGGRQHSA-N 1 1 181.279 1.408 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1C[C@@H](O)C2(CC2)C1 1352890663 1170534339 /nfs/dbraw/zinc/53/43/39/1170534339.db2.gz VJIUGUPTURDAAH-NXEZZACHSA-N 1 1 181.279 1.408 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1C[C@H](O)C2(CC2)C1 1352890669 1170535155 /nfs/dbraw/zinc/53/51/55/1170535155.db2.gz VJIUGUPTURDAAH-ZJUUUORDSA-N 1 1 181.279 1.408 10 30 ADEEMO C=CC[C@H](C)[N@H+]1C[C@@H](O)C2(CC2)C1 1352890667 1170535822 /nfs/dbraw/zinc/53/58/22/1170535822.db2.gz VJIUGUPTURDAAH-VHSXEESVSA-N 1 1 181.279 1.408 10 30 ADEEMO C=C[C@H](CO)Nc1cc(F)cc(C)[nH+]1 1354234893 1170547947 /nfs/dbraw/zinc/54/79/47/1170547947.db2.gz FXIYDISLCXYHIA-SECBINFHSA-N 1 1 196.225 1.488 10 30 ADEEMO C#C[C@@H](C)[N@H+](C)Cc1[nH]c(C)nc1C 1354710708 1170549572 /nfs/dbraw/zinc/54/95/72/1170549572.db2.gz AMQOPDDTCLPMEF-MRVPVSSYSA-N 1 1 191.278 1.480 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)Cc1[nH]c(C)nc1C 1354710708 1170549579 /nfs/dbraw/zinc/54/95/79/1170549579.db2.gz AMQOPDDTCLPMEF-MRVPVSSYSA-N 1 1 191.278 1.480 10 30 ADEEMO C=CC[N@H+](C)C/C=C(\C)COC 1354634572 1170549691 /nfs/dbraw/zinc/54/96/91/1170549691.db2.gz CKHFWIQVHCTVDU-UXBLZVDNSA-N 1 1 169.268 1.697 10 30 ADEEMO C#CC(C)(C)[N@H+](C)Cc1cnc(C)o1 1354709013 1170550373 /nfs/dbraw/zinc/55/03/73/1170550373.db2.gz LUHDUQUSZHFSKT-UHFFFAOYSA-N 1 1 192.262 1.827 10 30 ADEEMO C#CC(C)(C)[N@@H+](C)Cc1cnc(C)o1 1354709013 1170550377 /nfs/dbraw/zinc/55/03/77/1170550377.db2.gz LUHDUQUSZHFSKT-UHFFFAOYSA-N 1 1 192.262 1.827 10 30 ADEEMO C#CC[N@H+](C)C[C@@H]1C[C@H](C)O[C@H](C)C1 1354697018 1170550571 /nfs/dbraw/zinc/55/05/71/1170550571.db2.gz LYVORBJFZHJMEZ-GDNZZTSVSA-N 1 1 195.306 1.755 10 30 ADEEMO C=CC[N@@H+](C)[C@@H](C(=O)OC)[C@@H](C)CC 1354634489 1170550678 /nfs/dbraw/zinc/55/06/78/1170550678.db2.gz AFECZNMRSLHOCY-VHSXEESVSA-N 1 1 199.294 1.692 10 30 ADEEMO C=CC[N@H+](C)[C@@H](C(=O)OC)[C@@H](C)CC 1354634489 1170550681 /nfs/dbraw/zinc/55/06/81/1170550681.db2.gz AFECZNMRSLHOCY-VHSXEESVSA-N 1 1 199.294 1.692 10 30 ADEEMO C=CC[N@@H+](C)[C@@H](C(=O)OC)[C@H](C)CC 1354634487 1170550745 /nfs/dbraw/zinc/55/07/45/1170550745.db2.gz AFECZNMRSLHOCY-NXEZZACHSA-N 1 1 199.294 1.692 10 30 ADEEMO C=CC[N@H+](C)[C@@H](C(=O)OC)[C@H](C)CC 1354634487 1170550751 /nfs/dbraw/zinc/55/07/51/1170550751.db2.gz AFECZNMRSLHOCY-NXEZZACHSA-N 1 1 199.294 1.692 10 30 ADEEMO C=CC[N@@H+](C)[C@H](C(=O)OC)[C@@H](C)CC 1354634488 1170550849 /nfs/dbraw/zinc/55/08/49/1170550849.db2.gz AFECZNMRSLHOCY-UWVGGRQHSA-N 1 1 199.294 1.692 10 30 ADEEMO C=CC[N@H+](C)[C@H](C(=O)OC)[C@@H](C)CC 1354634488 1170550855 /nfs/dbraw/zinc/55/08/55/1170550855.db2.gz AFECZNMRSLHOCY-UWVGGRQHSA-N 1 1 199.294 1.692 10 30 ADEEMO C#C[C@H](C)[N@H+](C)Cc1[nH]c(C)nc1C 1354710712 1170550919 /nfs/dbraw/zinc/55/09/19/1170550919.db2.gz AMQOPDDTCLPMEF-QMMMGPOBSA-N 1 1 191.278 1.480 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)Cc1[nH]c(C)nc1C 1354710712 1170550923 /nfs/dbraw/zinc/55/09/23/1170550923.db2.gz AMQOPDDTCLPMEF-QMMMGPOBSA-N 1 1 191.278 1.480 10 30 ADEEMO C=CC[N@@H+](C)[C@H](C(=O)OC)[C@H](C)CC 1354634490 1170551566 /nfs/dbraw/zinc/55/15/66/1170551566.db2.gz AFECZNMRSLHOCY-ZJUUUORDSA-N 1 1 199.294 1.692 10 30 ADEEMO C=CC[N@H+](C)[C@H](C(=O)OC)[C@H](C)CC 1354634490 1170551573 /nfs/dbraw/zinc/55/15/73/1170551573.db2.gz AFECZNMRSLHOCY-ZJUUUORDSA-N 1 1 199.294 1.692 10 30 ADEEMO C=CC[N@H+](C)C/C=C(/C)COC 1354634560 1170551610 /nfs/dbraw/zinc/55/16/10/1170551610.db2.gz CKHFWIQVHCTVDU-POHAHGRESA-N 1 1 169.268 1.697 10 30 ADEEMO C#CC[N@H+](CC1(OC)CCC1)C(C)C 1355302008 1170553267 /nfs/dbraw/zinc/55/32/67/1170553267.db2.gz NHUBFRZMTBJLOK-UHFFFAOYSA-N 1 1 195.306 1.899 10 30 ADEEMO C#CCC[N@@H+]1CC[C@@H]2[C@H](C1)C2(F)F 1459799950 1170576038 /nfs/dbraw/zinc/57/60/38/1170576038.db2.gz RTGHJQKWMZVFKI-BDAKNGLRSA-N 1 1 185.217 1.597 10 30 ADEEMO C#CCC[N@@H+]1CC[C@H]2[C@@H](C1)C2(F)F 1459799954 1170576240 /nfs/dbraw/zinc/57/62/40/1170576240.db2.gz RTGHJQKWMZVFKI-DTWKUNHWSA-N 1 1 185.217 1.597 10 30 ADEEMO C=CC[N@H+](C)CCN(CC)CC#CC 1460033691 1170576518 /nfs/dbraw/zinc/57/65/18/1170576518.db2.gz TXEQUABFLQASKM-UHFFFAOYSA-N 1 1 194.322 1.449 10 30 ADEEMO C=CCN(C)CC[N@@H+](CC)CC#CC 1460033691 1170576523 /nfs/dbraw/zinc/57/65/23/1170576523.db2.gz TXEQUABFLQASKM-UHFFFAOYSA-N 1 1 194.322 1.449 10 30 ADEEMO C=CCN(C)CC[N@H+](CC)CC#CC 1460033691 1170576527 /nfs/dbraw/zinc/57/65/27/1170576527.db2.gz TXEQUABFLQASKM-UHFFFAOYSA-N 1 1 194.322 1.449 10 30 ADEEMO C=CC[N@@H+](C)CCCC#N 1459982241 1170577598 /nfs/dbraw/zinc/57/75/98/1170577598.db2.gz FLXRHFRBPZMQGG-UHFFFAOYSA-N 1 1 138.214 1.408 10 30 ADEEMO CCC[C@H]1CCC[N@H+]1C[C@H](O)CC#N 1460896370 1170578281 /nfs/dbraw/zinc/57/82/81/1170578281.db2.gz FEUVNBSXSUNAHP-WDEREUQCSA-N 1 1 196.294 1.525 10 30 ADEEMO C=CCC[C@H]1CCC[N@@H+]1C[C@H](C)O 1460887448 1170578516 /nfs/dbraw/zinc/57/85/16/1170578516.db2.gz UCELNEPDRGQICE-QWRGUYRKSA-N 1 1 183.295 1.798 10 30 ADEEMO COCC#CC[N@@H+](C)CC1CCC1 1460887472 1170578635 /nfs/dbraw/zinc/57/86/35/1170578635.db2.gz VFORNNPFPQAVHU-UHFFFAOYSA-N 1 1 181.279 1.368 10 30 ADEEMO C#CC[N@@H+](CC1=NOCC1)C(C)C 1460823984 1170578784 /nfs/dbraw/zinc/57/87/84/1170578784.db2.gz NCFWJLROCDZXAP-UHFFFAOYSA-N 1 1 180.251 1.106 10 30 ADEEMO CCC[C@@H]1CCC[N@H+]1C[C@H](O)CC#N 1460896329 1170579082 /nfs/dbraw/zinc/57/90/82/1170579082.db2.gz FEUVNBSXSUNAHP-GHMZBOCLSA-N 1 1 196.294 1.525 10 30 ADEEMO C#CCOCC[N@H+]1C[C@H]2CCCC[C@H]21 1460349183 1170579708 /nfs/dbraw/zinc/57/97/08/1170579708.db2.gz CKBLRKAUKGLHQD-VXGBXAGGSA-N 1 1 193.290 1.511 10 30 ADEEMO C=CCC[C@@H]1CCC[N@@H+]1C[C@H](C)O 1460887449 1170580342 /nfs/dbraw/zinc/58/03/42/1170580342.db2.gz UCELNEPDRGQICE-WDEREUQCSA-N 1 1 183.295 1.798 10 30 ADEEMO C=C(C)C[N@@H+]1C[C@H]2C[C@H]2C1 1460757480 1170580313 /nfs/dbraw/zinc/58/03/13/1170580313.db2.gz GDQXAPZXSRUDPE-DTORHVGOSA-N 1 1 137.226 1.514 10 30 ADEEMO C#C[C@H]1CCCC[N@H+]1CC1=NOCC1 1460914934 1170581290 /nfs/dbraw/zinc/58/12/90/1170581290.db2.gz DNVUQIZEOPIVBF-NSHDSACASA-N 1 1 192.262 1.250 10 30 ADEEMO C=CCCC[N@@H+]1CC[C@@H](N(C)CC)C1 1460990868 1170581387 /nfs/dbraw/zinc/58/13/87/1170581387.db2.gz ULVCIXRAJVNECL-GFCCVEGCSA-N 1 1 196.338 1.979 10 30 ADEEMO C=CCCCN1CC[C@@H]([N@@H+](C)CC)C1 1460990868 1170581392 /nfs/dbraw/zinc/58/13/92/1170581392.db2.gz ULVCIXRAJVNECL-GFCCVEGCSA-N 1 1 196.338 1.979 10 30 ADEEMO C=CCCCN1CC[C@@H]([N@H+](C)CC)C1 1460990868 1170581398 /nfs/dbraw/zinc/58/13/98/1170581398.db2.gz ULVCIXRAJVNECL-GFCCVEGCSA-N 1 1 196.338 1.979 10 30 ADEEMO C=CCCC[N@@H+]1CC[C@H](N(C)CC)C1 1460990873 1170581424 /nfs/dbraw/zinc/58/14/24/1170581424.db2.gz ULVCIXRAJVNECL-LBPRGKRZSA-N 1 1 196.338 1.979 10 30 ADEEMO C=CCCCN1CC[C@H]([N@@H+](C)CC)C1 1460990873 1170581430 /nfs/dbraw/zinc/58/14/30/1170581430.db2.gz ULVCIXRAJVNECL-LBPRGKRZSA-N 1 1 196.338 1.979 10 30 ADEEMO C=CCCCN1CC[C@H]([N@H+](C)CC)C1 1460990873 1170581434 /nfs/dbraw/zinc/58/14/34/1170581434.db2.gz ULVCIXRAJVNECL-LBPRGKRZSA-N 1 1 196.338 1.979 10 30 ADEEMO C#C[C@@H]1CCCC[N@H+]1CC1=NOCC1 1460914053 1170582314 /nfs/dbraw/zinc/58/23/14/1170582314.db2.gz DNVUQIZEOPIVBF-LLVKDONJSA-N 1 1 192.262 1.250 10 30 ADEEMO C#CC[N@H+](C)CC(C)(C)COC 1462622306 1170583504 /nfs/dbraw/zinc/58/35/04/1170583504.db2.gz BGZLKKQNVSAWCI-UHFFFAOYSA-N 1 1 169.268 1.224 10 30 ADEEMO C#CC[N@H+](C)C[C@H](CCC)OC 1462623555 1170584091 /nfs/dbraw/zinc/58/40/91/1170584091.db2.gz OHYJAMPYUHNRHT-JTQLQIEISA-N 1 1 169.268 1.367 10 30 ADEEMO C#CC[N@H+](C)CC1(OC)CCC1 1462622302 1170584125 /nfs/dbraw/zinc/58/41/25/1170584125.db2.gz BCNCKRGKDDJHPI-UHFFFAOYSA-N 1 1 167.252 1.121 10 30 ADEEMO C#CC[N@H+](C)C[C@@H](CCC)OC 1462623556 1170585159 /nfs/dbraw/zinc/58/51/59/1170585159.db2.gz OHYJAMPYUHNRHT-SNVBAGLBSA-N 1 1 169.268 1.367 10 30 ADEEMO CC#CC[N@H+](CC)C(C)C 1473115919 1170593871 /nfs/dbraw/zinc/59/38/71/1170593871.db2.gz SYZZEYHATMSJKM-UHFFFAOYSA-N 1 1 139.242 1.740 10 30 ADEEMO C=C(C)C[N@H+](C)C1CC1 1473122920 1170593948 /nfs/dbraw/zinc/59/39/48/1170593948.db2.gz QPVFXCIJRMVQMI-UHFFFAOYSA-N 1 1 125.215 1.657 10 30 ADEEMO C=C1C[C@@H]2CC[C@H](C1)[N@H+]2[C@@H](C)[C@@H](C)O 1473661760 1170594833 /nfs/dbraw/zinc/59/48/33/1170594833.db2.gz CJLBDZCHDSZQFH-WHOHXGKFSA-N 1 1 195.306 1.939 10 30 ADEEMO C#C[C@H]1CCC[N@@H+](CC2=NOCC2)C1 1473587706 1170595603 /nfs/dbraw/zinc/59/56/03/1170595603.db2.gz OLJMWFGOEODLOU-JTQLQIEISA-N 1 1 192.262 1.108 10 30 ADEEMO C#C[C@@H]1CCC[N@@H+](CC2=NOCC2)C1 1473587718 1170595896 /nfs/dbraw/zinc/59/58/96/1170595896.db2.gz OLJMWFGOEODLOU-SNVBAGLBSA-N 1 1 192.262 1.108 10 30 ADEEMO C=C1C[C@@H]2CC[C@H](C1)[N@H+]2[C@@H](C)[C@H](C)O 1473661757 1170595974 /nfs/dbraw/zinc/59/59/74/1170595974.db2.gz CJLBDZCHDSZQFH-FIQHERPVSA-N 1 1 195.306 1.939 10 30 ADEEMO C=C1C[C@@H]2CC[C@H](C1)[N@H+]2[C@H](C)[C@H](C)O 1473661759 1170596491 /nfs/dbraw/zinc/59/64/91/1170596491.db2.gz CJLBDZCHDSZQFH-KXNHARMFSA-N 1 1 195.306 1.939 10 30 ADEEMO C=C1C[C@@H]2CC[C@H](C1)[N@H+]2[C@H](C)[C@@H](C)O 1473661758 1170596844 /nfs/dbraw/zinc/59/68/44/1170596844.db2.gz CJLBDZCHDSZQFH-KKOKHZNYSA-N 1 1 195.306 1.939 10 30 ADEEMO C=CCCC[N@@H+]1CC[C@H](O)[C@@H]1C 1473475886 1170596958 /nfs/dbraw/zinc/59/69/58/1170596958.db2.gz BYUFQEVIUZHFMM-UWVGGRQHSA-N 1 1 169.268 1.408 10 30 ADEEMO C#CC[N@H+](CC)C[C@@]1(C)CCCCO1 1474382213 1170597855 /nfs/dbraw/zinc/59/78/55/1170597855.db2.gz GJSWUHVRJOZUEQ-GFCCVEGCSA-N 1 1 195.306 1.901 10 30 ADEEMO C#CCC[N@@H+]1C[C@@H](C)OCC[C@H]1C 1473893302 1170598851 /nfs/dbraw/zinc/59/88/51/1170598851.db2.gz NADWZSSDJDAOIE-GHMZBOCLSA-N 1 1 181.279 1.509 10 30 ADEEMO C#CC[N@H+](CC)C[C@]1(C)CCCCO1 1474382214 1170600044 /nfs/dbraw/zinc/60/00/44/1170600044.db2.gz GJSWUHVRJOZUEQ-LBPRGKRZSA-N 1 1 195.306 1.901 10 30 ADEEMO C#CC[N@H+](C)C[C@@H](OC)[C@H](C)CC 1474733599 1170601310 /nfs/dbraw/zinc/60/13/10/1170601310.db2.gz IWVVPVIUZMRBIT-GHMZBOCLSA-N 1 1 183.295 1.613 10 30 ADEEMO C#CC[N@H+](C)C[C@]1(C)CCCS1 1474733918 1170601323 /nfs/dbraw/zinc/60/13/23/1170601323.db2.gz YEEBCTNHSQCQQA-JTQLQIEISA-N 1 1 183.320 1.837 10 30 ADEEMO C#CC[N@H+](C)C[C@H](OC)[C@@H](C)CC 1474733601 1170601329 /nfs/dbraw/zinc/60/13/29/1170601329.db2.gz IWVVPVIUZMRBIT-QWRGUYRKSA-N 1 1 183.295 1.613 10 30 ADEEMO C#CC[N@H+](C)C[C@](C)(OC)C1CC1 1474733651 1170601411 /nfs/dbraw/zinc/60/14/11/1170601411.db2.gz LPKNIDROJOWJLU-NSHDSACASA-N 1 1 181.279 1.367 10 30 ADEEMO C#CC1(O)C[NH+](C[C@H](C)C(C)(C)C)C1 1474737709 1170601501 /nfs/dbraw/zinc/60/15/01/1170601501.db2.gz BFYGTYDNUMNPJM-JTQLQIEISA-N 1 1 195.306 1.349 10 30 ADEEMO C#CC[N@H+](C)C[C@@]1(C)CCCS1 1474733919 1170601644 /nfs/dbraw/zinc/60/16/44/1170601644.db2.gz YEEBCTNHSQCQQA-SNVBAGLBSA-N 1 1 183.320 1.837 10 30 ADEEMO C#CC1(O)C[NH+](C[C@@H](C)C(C)(C)C)C1 1474737711 1170601958 /nfs/dbraw/zinc/60/19/58/1170601958.db2.gz BFYGTYDNUMNPJM-SNVBAGLBSA-N 1 1 195.306 1.349 10 30 ADEEMO C#CC[N@H+](C)C[C@@H](OC)[C@@H](C)CC 1474733602 1170602141 /nfs/dbraw/zinc/60/21/41/1170602141.db2.gz IWVVPVIUZMRBIT-WDEREUQCSA-N 1 1 183.295 1.613 10 30 ADEEMO C#CC[N@H+](C)C[C@@](C)(OC)C1CC1 1474733650 1170602244 /nfs/dbraw/zinc/60/22/44/1170602244.db2.gz LPKNIDROJOWJLU-LLVKDONJSA-N 1 1 181.279 1.367 10 30 ADEEMO C#CC[N@H+](C)C[C@H](OC)[C@H](C)CC 1474733600 1170602361 /nfs/dbraw/zinc/60/23/61/1170602361.db2.gz IWVVPVIUZMRBIT-MNOVXSKESA-N 1 1 183.295 1.613 10 30 ADEEMO C=CC[N@@H+](CC)CCNC(=O)CC 1480956571 1170603084 /nfs/dbraw/zinc/60/30/84/1170603084.db2.gz AXCFNFHWHZMSBW-UHFFFAOYSA-N 1 1 184.283 1.021 10 30 ADEEMO C=CCCCC(=O)NCC[N@H+](C)CC 1480905933 1170603577 /nfs/dbraw/zinc/60/35/77/1170603577.db2.gz GDAAFTLBGBLOCK-UHFFFAOYSA-N 1 1 198.310 1.411 10 30 ADEEMO C=CCC[N@@H+](CC)CCCNC(C)=O 1479829638 1170603603 /nfs/dbraw/zinc/60/36/03/1170603603.db2.gz CKZUYCBEISYIBP-UHFFFAOYSA-N 1 1 198.310 1.411 10 30 ADEEMO C=CCCC[N@H+](C)CCN(C)C(C)=O 1482573331 1170603804 /nfs/dbraw/zinc/60/38/04/1170603804.db2.gz BYDYPMXKLRYCOG-UHFFFAOYSA-N 1 1 198.310 1.363 10 30 ADEEMO C=CC[N@H+](C)CCNC(=O)CCC 1480837132 1170604372 /nfs/dbraw/zinc/60/43/72/1170604372.db2.gz OHHWZQLIMYKTQS-UHFFFAOYSA-N 1 1 184.283 1.021 10 30 ADEEMO C=CC[N@@H+](C)CCNC(=O)C=C(C)C 1480838411 1170604440 /nfs/dbraw/zinc/60/44/40/1170604440.db2.gz MBBOLHRURAAJOW-UHFFFAOYSA-N 1 1 196.294 1.187 10 30 ADEEMO C=CC[N@H+](C)CCNC(=O)[C@H](C)CC 1492194363 1170605912 /nfs/dbraw/zinc/60/59/12/1170605912.db2.gz SLZAYRICZKAFIX-SNVBAGLBSA-N 1 1 198.310 1.267 10 30 ADEEMO C=CC[N@@H+]1CC[C@H](CNC(=O)CC)C1 1493170987 1170606580 /nfs/dbraw/zinc/60/65/80/1170606580.db2.gz JACBFCFRIFXEQT-SNVBAGLBSA-N 1 1 196.294 1.021 10 30 ADEEMO C=CC[N@@H+]1CC[C@@H](CNC(=O)CC)C1 1493170980 1170606633 /nfs/dbraw/zinc/60/66/33/1170606633.db2.gz JACBFCFRIFXEQT-JTQLQIEISA-N 1 1 196.294 1.021 10 30 ADEEMO C=CC[N@H+](C)CCNC(=O)CC(C)C 1492187255 1170606758 /nfs/dbraw/zinc/60/67/58/1170606758.db2.gz BSCUMXUOYXQVLY-UHFFFAOYSA-N 1 1 198.310 1.267 10 30 ADEEMO C=CC[N@H+](C)CCNC(=O)[C@@H](C)CC 1492194362 1170607124 /nfs/dbraw/zinc/60/71/24/1170607124.db2.gz SLZAYRICZKAFIX-JTQLQIEISA-N 1 1 198.310 1.267 10 30 ADEEMO C=C(C)CC[N@H+](C)CCN(C)C(C)=O 1496645619 1170607520 /nfs/dbraw/zinc/60/75/20/1170607520.db2.gz XZCDHLQGMMHNMQ-UHFFFAOYSA-N 1 1 198.310 1.363 10 30 ADEEMO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)CC 1483621177 1170607543 /nfs/dbraw/zinc/60/75/43/1170607543.db2.gz FSCYEKIAWRLBRF-SNVBAGLBSA-N 1 1 196.294 1.163 10 30 ADEEMO C=CCC[N@@H+]1CC[C@H]1CNC(=O)CC 1483621171 1170607657 /nfs/dbraw/zinc/60/76/57/1170607657.db2.gz FSCYEKIAWRLBRF-JTQLQIEISA-N 1 1 196.294 1.163 10 30 ADEEMO C=CC[N@@H+]1CC[C@H](NC(=O)CCC)C1 1494689062 1170607950 /nfs/dbraw/zinc/60/79/50/1170607950.db2.gz QWGJFJRDFKNENL-JTQLQIEISA-N 1 1 196.294 1.163 10 30 ADEEMO C=CCCC(=O)N[C@@H](C)C[N@H+](C)CC 1498239905 1170608672 /nfs/dbraw/zinc/60/86/72/1170608672.db2.gz NQMBBNRIQBXYOM-JTQLQIEISA-N 1 1 198.310 1.409 10 30 ADEEMO C=CCCC[N@@H+]1CC[C@@H]1CNC(C)=O 1498908574 1170608698 /nfs/dbraw/zinc/60/86/98/1170608698.db2.gz YNPVQPDZIMLIBJ-LLVKDONJSA-N 1 1 196.294 1.163 10 30 ADEEMO C=CC[N@H+]1CC[C@H]1CNC(=O)CCC 1498914440 1170609045 /nfs/dbraw/zinc/60/90/45/1170609045.db2.gz XSDZVUBDHNQPQI-JTQLQIEISA-N 1 1 196.294 1.163 10 30 ADEEMO C=CC[N@@H+]1CC[C@H]1CNC(=O)CCC 1498914440 1170609050 /nfs/dbraw/zinc/60/90/50/1170609050.db2.gz XSDZVUBDHNQPQI-JTQLQIEISA-N 1 1 196.294 1.163 10 30 ADEEMO C=CC[N@H+]1CC[C@@H]1CNC(=O)CCC 1498914441 1170609373 /nfs/dbraw/zinc/60/93/73/1170609373.db2.gz XSDZVUBDHNQPQI-SNVBAGLBSA-N 1 1 196.294 1.163 10 30 ADEEMO C=CC[N@@H+]1CC[C@@H]1CNC(=O)CCC 1498914441 1170609377 /nfs/dbraw/zinc/60/93/77/1170609377.db2.gz XSDZVUBDHNQPQI-SNVBAGLBSA-N 1 1 196.294 1.163 10 30 ADEEMO C=CCCC[N@@H+]1CC[C@H]1CNC(C)=O 1498908576 1170610060 /nfs/dbraw/zinc/61/00/60/1170610060.db2.gz YNPVQPDZIMLIBJ-NSHDSACASA-N 1 1 196.294 1.163 10 30 ADEEMO C=CCCC(=O)N[C@H](C)C[N@H+](C)CC 1498239906 1170610333 /nfs/dbraw/zinc/61/03/33/1170610333.db2.gz NQMBBNRIQBXYOM-SNVBAGLBSA-N 1 1 198.310 1.409 10 30 ADEEMO C=C(CC)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C 1529018605 1170640035 /nfs/dbraw/zinc/64/00/35/1170640035.db2.gz RIMOVUHHQZUPFJ-NXEZZACHSA-N 1 1 196.294 1.161 10 30 ADEEMO C=C(CC)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C 1529018608 1170640221 /nfs/dbraw/zinc/64/02/21/1170640221.db2.gz RIMOVUHHQZUPFJ-ZJUUUORDSA-N 1 1 196.294 1.161 10 30 ADEEMO C=C(CC)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1C 1529018606 1170640612 /nfs/dbraw/zinc/64/06/12/1170640612.db2.gz RIMOVUHHQZUPFJ-UWVGGRQHSA-N 1 1 196.294 1.161 10 30 ADEEMO C=C(CC)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C 1529018607 1170640721 /nfs/dbraw/zinc/64/07/21/1170640721.db2.gz RIMOVUHHQZUPFJ-VHSXEESVSA-N 1 1 196.294 1.161 10 30 ADEEMO Cc1[nH+]ccn1Cc1ccc(C#N)o1 1559389796 1170654964 /nfs/dbraw/zinc/65/49/64/1170654964.db2.gz SOCMPERRFYSSHD-UHFFFAOYSA-N 1 1 187.202 1.705 10 30 ADEEMO CCC#C[C@H](C)[N@@H+]1C[C@@H](O)[C@H](C)C1 1559658805 1170656368 /nfs/dbraw/zinc/65/63/68/1170656368.db2.gz RZXFOBPEZSONJM-OUAUKWLOSA-N 1 1 181.279 1.101 10 30 ADEEMO CCC#C[C@H](C)N1CC[N@@H+](C)[C@H](C)C1 1559718450 1170656812 /nfs/dbraw/zinc/65/68/12/1170656812.db2.gz OGTYCAMHIVAARF-NWDGAFQWSA-N 1 1 194.322 1.424 10 30 ADEEMO CCC#C[C@H](C)[N@@H+]1CCN(C)[C@H](C)C1 1559718450 1170656815 /nfs/dbraw/zinc/65/68/15/1170656815.db2.gz OGTYCAMHIVAARF-NWDGAFQWSA-N 1 1 194.322 1.424 10 30 ADEEMO CCC#C[C@H](C)[N@H+]1CCN(C)[C@H](C)C1 1559718450 1170656818 /nfs/dbraw/zinc/65/68/18/1170656818.db2.gz OGTYCAMHIVAARF-NWDGAFQWSA-N 1 1 194.322 1.424 10 30 ADEEMO CC(C)C[C@H](C)[NH+]1CC(O)(CC#N)C1 1559780094 1170656849 /nfs/dbraw/zinc/65/68/49/1170656849.db2.gz RTFQHSSJAPIYPB-JTQLQIEISA-N 1 1 196.294 1.381 10 30 ADEEMO C#CC[N@H+](CC)[C@@H](C)C#CCC 1559581951 1170656890 /nfs/dbraw/zinc/65/68/90/1170656890.db2.gz UZGMQQRQWUEQOH-NSHDSACASA-N 1 1 163.264 1.743 10 30 ADEEMO CC(C)C[C@@H](C)[NH+]1CC(O)(CC#N)C1 1559780095 1170656931 /nfs/dbraw/zinc/65/69/31/1170656931.db2.gz RTFQHSSJAPIYPB-SNVBAGLBSA-N 1 1 196.294 1.381 10 30 ADEEMO CCC#C[C@H](C)[N@H+]1C[C@H](C)[C@H](O)C1 1559658804 1170657096 /nfs/dbraw/zinc/65/70/96/1170657096.db2.gz RZXFOBPEZSONJM-GARJFASQSA-N 1 1 181.279 1.101 10 30 ADEEMO CCC#C[C@@H](C)N1CC[N@@H+](C)[C@H](C)C1 1559718453 1170657173 /nfs/dbraw/zinc/65/71/73/1170657173.db2.gz OGTYCAMHIVAARF-VXGBXAGGSA-N 1 1 194.322 1.424 10 30 ADEEMO CCC#C[C@@H](C)[N@@H+]1CCN(C)[C@H](C)C1 1559718453 1170657176 /nfs/dbraw/zinc/65/71/76/1170657176.db2.gz OGTYCAMHIVAARF-VXGBXAGGSA-N 1 1 194.322 1.424 10 30 ADEEMO CCC#C[C@@H](C)[N@H+]1CCN(C)[C@H](C)C1 1559718453 1170657181 /nfs/dbraw/zinc/65/71/81/1170657181.db2.gz OGTYCAMHIVAARF-VXGBXAGGSA-N 1 1 194.322 1.424 10 30 ADEEMO CCC#C[C@H](C)[N@H+]1C[C@H](C)[C@@H](O)C1 1559658803 1170657208 /nfs/dbraw/zinc/65/72/08/1170657208.db2.gz RZXFOBPEZSONJM-DCAQKATOSA-N 1 1 181.279 1.101 10 30 ADEEMO CCC#C[C@H](C)[N@H+]1C[C@@H](C)[C@@H](O)C1 1559658806 1170657380 /nfs/dbraw/zinc/65/73/80/1170657380.db2.gz RZXFOBPEZSONJM-VWYCJHECSA-N 1 1 181.279 1.101 10 30 ADEEMO C#CC[N@H+](CC)[C@H](C)C#CCC 1559581950 1170657435 /nfs/dbraw/zinc/65/74/35/1170657435.db2.gz UZGMQQRQWUEQOH-LLVKDONJSA-N 1 1 163.264 1.743 10 30 ADEEMO C=C(C)C[N@H+]1CC[C@@H]2C[C@@H]21 1559718935 1170657473 /nfs/dbraw/zinc/65/74/73/1170657473.db2.gz YTWCUNFIJNYEOC-BDAKNGLRSA-N 1 1 137.226 1.657 10 30 ADEEMO CCC#C[C@H](C)N1CC[N@@H+](C)[C@@H](C)C1 1559718451 1170657496 /nfs/dbraw/zinc/65/74/96/1170657496.db2.gz OGTYCAMHIVAARF-RYUDHWBXSA-N 1 1 194.322 1.424 10 30 ADEEMO CCC#C[C@H](C)[N@@H+]1CCN(C)[C@@H](C)C1 1559718451 1170657500 /nfs/dbraw/zinc/65/75/00/1170657500.db2.gz OGTYCAMHIVAARF-RYUDHWBXSA-N 1 1 194.322 1.424 10 30 ADEEMO CCC#C[C@H](C)[N@H+]1CCN(C)[C@@H](C)C1 1559718451 1170657504 /nfs/dbraw/zinc/65/75/04/1170657504.db2.gz OGTYCAMHIVAARF-RYUDHWBXSA-N 1 1 194.322 1.424 10 30 ADEEMO C=C(C)C[N@H+]1CC[C@H]2C[C@H]21 1559718936 1170657516 /nfs/dbraw/zinc/65/75/16/1170657516.db2.gz YTWCUNFIJNYEOC-DTWKUNHWSA-N 1 1 137.226 1.657 10 30 ADEEMO CCC#C[C@@H](C)N1CC[N@@H+](C)[C@@H](C)C1 1559718444 1170657752 /nfs/dbraw/zinc/65/77/52/1170657752.db2.gz OGTYCAMHIVAARF-NEPJUHHUSA-N 1 1 194.322 1.424 10 30 ADEEMO CCC#C[C@@H](C)[N@@H+]1CCN(C)[C@@H](C)C1 1559718444 1170657756 /nfs/dbraw/zinc/65/77/56/1170657756.db2.gz OGTYCAMHIVAARF-NEPJUHHUSA-N 1 1 194.322 1.424 10 30 ADEEMO CCC#C[C@@H](C)[N@H+]1CCN(C)[C@@H](C)C1 1559718444 1170657759 /nfs/dbraw/zinc/65/77/59/1170657759.db2.gz OGTYCAMHIVAARF-NEPJUHHUSA-N 1 1 194.322 1.424 10 30 ADEEMO CC#CC[N@@H+](C)CC12COC(C)(C1)C2 1559874075 1170658366 /nfs/dbraw/zinc/65/83/66/1170658366.db2.gz GIYKLZDXEIQZMK-UHFFFAOYSA-N 1 1 193.290 1.511 10 30 ADEEMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](O)[C@H]2C1 1560140120 1170658747 /nfs/dbraw/zinc/65/87/47/1170658747.db2.gz NSTZCFVBUZMSIB-OUAUKWLOSA-N 1 1 181.279 1.265 10 30 ADEEMO C=CCCC[N@H+](C)CCn1cnnc1 1560115170 1170658756 /nfs/dbraw/zinc/65/87/56/1170658756.db2.gz PTXMDDFZWGTURX-UHFFFAOYSA-N 1 1 194.282 1.176 10 30 ADEEMO CCC[C@@H]1CCC[N@H+]1CC#CCOC 1560201280 1170659265 /nfs/dbraw/zinc/65/92/65/1170659265.db2.gz HOSPNLYAQZNLAN-GFCCVEGCSA-N 1 1 195.306 1.901 10 30 ADEEMO CCC[C@H]1CCC[N@H+]1CC#CCOC 1560201281 1170660718 /nfs/dbraw/zinc/66/07/18/1170660718.db2.gz HOSPNLYAQZNLAN-LBPRGKRZSA-N 1 1 195.306 1.901 10 30 ADEEMO C=C(CC)C[N@@H+](C)CCn1cnnc1 1560116126 1170660905 /nfs/dbraw/zinc/66/09/05/1170660905.db2.gz SHSWJMSJBASJCW-UHFFFAOYSA-N 1 1 194.282 1.176 10 30 ADEEMO C#CC1(O)C[NH+](CCC(C)(C)CC)C1 1560203532 1170661658 /nfs/dbraw/zinc/66/16/58/1170661658.db2.gz CYLCCGONWMPBRH-UHFFFAOYSA-N 1 1 195.306 1.493 10 30 ADEEMO C=CC[C@H]1CC[N@H+]1CC1=NOCC1 1560208039 1170661897 /nfs/dbraw/zinc/66/18/97/1170661897.db2.gz VMAUNAIEWAJKJI-JTQLQIEISA-N 1 1 180.251 1.413 10 30 ADEEMO C=CC[C@@H]1CC[N@H+]1CC1=NOCC1 1560208040 1170662337 /nfs/dbraw/zinc/66/23/37/1170662337.db2.gz VMAUNAIEWAJKJI-SNVBAGLBSA-N 1 1 180.251 1.413 10 30 ADEEMO C#C[C@@H](CC)[NH2+]Cc1ncccc1F 1560819069 1170664800 /nfs/dbraw/zinc/66/48/00/1170664800.db2.gz ORIRXVODRMXZCR-VIFPVBQESA-N 1 1 192.237 1.722 10 30 ADEEMO C#C[C@@H](C)[NH2+]Cc1cn(C2CC2)cn1 1560822821 1170665410 /nfs/dbraw/zinc/66/54/10/1170665410.db2.gz KYRNWLXOPPNBPO-SECBINFHSA-N 1 1 189.262 1.329 10 30 ADEEMO C#C[C@H](CC)[NH2+]Cc1ncccc1F 1560819064 1170665486 /nfs/dbraw/zinc/66/54/86/1170665486.db2.gz ORIRXVODRMXZCR-SECBINFHSA-N 1 1 192.237 1.722 10 30 ADEEMO C#C[C@H](C)[NH2+]Cc1cn(C2CC2)cn1 1560822822 1170666093 /nfs/dbraw/zinc/66/60/93/1170666093.db2.gz KYRNWLXOPPNBPO-VIFPVBQESA-N 1 1 189.262 1.329 10 30 ADEEMO C#CC[N@@H+](C)Cc1ccnc(F)c1C 1561032530 1170666462 /nfs/dbraw/zinc/66/64/62/1170666462.db2.gz HKCSINPBFZTOJV-UHFFFAOYSA-N 1 1 192.237 1.594 10 30 ADEEMO C#CC[N@H+](C)Cc1ccnc(F)c1C 1561032530 1170666466 /nfs/dbraw/zinc/66/64/66/1170666466.db2.gz HKCSINPBFZTOJV-UHFFFAOYSA-N 1 1 192.237 1.594 10 30 ADEEMO C#CC[N@@H+](C)Cc1cc(C)oc1C 1561031769 1170668397 /nfs/dbraw/zinc/66/83/97/1170668397.db2.gz CCIVDONZWYEXCS-UHFFFAOYSA-N 1 1 177.247 1.961 10 30 ADEEMO C#CC[N@H+](C)Cc1cc(C)oc1C 1561031769 1170668401 /nfs/dbraw/zinc/66/84/01/1170668401.db2.gz CCIVDONZWYEXCS-UHFFFAOYSA-N 1 1 177.247 1.961 10 30 ADEEMO C=CCCC[N@H+](CC)CCNC(C)=O 1567323457 1170670160 /nfs/dbraw/zinc/67/01/60/1170670160.db2.gz XPIPBTFFJMGJGW-UHFFFAOYSA-N 1 1 198.310 1.411 10 30 ADEEMO C=CCCC(=O)N(C)CC[N@H+](C)CC 1568476222 1170672091 /nfs/dbraw/zinc/67/20/91/1170672091.db2.gz SMIPCFBKIHXXKB-UHFFFAOYSA-N 1 1 198.310 1.363 10 30 ADEEMO C=CC[N@H+](C)CCN(C)C(=O)C(C)C 1568474582 1170672666 /nfs/dbraw/zinc/67/26/66/1170672666.db2.gz NMTRVPMKXNRJMP-UHFFFAOYSA-N 1 1 198.310 1.219 10 30 ADEEMO C=CC[N@H+](C)C[C@@H](C)NC(=O)C(C)C 1569105493 1170673062 /nfs/dbraw/zinc/67/30/62/1170673062.db2.gz RWCYOFGJRPLTNC-SNVBAGLBSA-N 1 1 198.310 1.265 10 30 ADEEMO C=CCC[N@H+](C)C[C@@H](C)NC(=O)CC 1569101756 1170673409 /nfs/dbraw/zinc/67/34/09/1170673409.db2.gz DSTTYSJVTDTWQQ-SNVBAGLBSA-N 1 1 198.310 1.409 10 30 ADEEMO C=CC[N@H+](C)C[C@H](C)NC(=O)C(C)C 1569105492 1170673607 /nfs/dbraw/zinc/67/36/07/1170673607.db2.gz RWCYOFGJRPLTNC-JTQLQIEISA-N 1 1 198.310 1.265 10 30 ADEEMO C=CCC[N@H+](C)C[C@H](C)NC(=O)CC 1569101755 1170673782 /nfs/dbraw/zinc/67/37/82/1170673782.db2.gz DSTTYSJVTDTWQQ-JTQLQIEISA-N 1 1 198.310 1.409 10 30 ADEEMO C=C(C)CN(C)C(=O)[C@H]1CC[N@H+]1CC 1585081697 1170764363 /nfs/dbraw/zinc/76/43/63/1170764363.db2.gz WRGAVPSLASCJRB-SNVBAGLBSA-N 1 1 196.294 1.115 10 30 ADEEMO C=C(C)CN(C)C(=O)[C@H]1CC[N@@H+]1CC 1585081697 1170764367 /nfs/dbraw/zinc/76/43/67/1170764367.db2.gz WRGAVPSLASCJRB-SNVBAGLBSA-N 1 1 196.294 1.115 10 30 ADEEMO C=C(C)CN(C)C(=O)[C@@H]1CC[N@H+]1CC 1585081696 1170765275 /nfs/dbraw/zinc/76/52/75/1170765275.db2.gz WRGAVPSLASCJRB-JTQLQIEISA-N 1 1 196.294 1.115 10 30 ADEEMO C=C(C)CN(C)C(=O)[C@@H]1CC[N@@H+]1CC 1585081696 1170765286 /nfs/dbraw/zinc/76/52/86/1170765286.db2.gz WRGAVPSLASCJRB-JTQLQIEISA-N 1 1 196.294 1.115 10 30 ADEEMO C=CC(C)(C)NC(=O)[C@@H]1CC[N@H+]1CC 1606603500 1170797582 /nfs/dbraw/zinc/79/75/82/1170797582.db2.gz WTUNRPRSYIDWMS-VIFPVBQESA-N 1 1 196.294 1.161 10 30 ADEEMO C=CC(C)(C)NC(=O)[C@@H]1CC[N@@H+]1CC 1606603500 1170797584 /nfs/dbraw/zinc/79/75/84/1170797584.db2.gz WTUNRPRSYIDWMS-VIFPVBQESA-N 1 1 196.294 1.161 10 30 ADEEMO C=CC(C)(C)NC(=O)[C@H]1CC[N@H+]1CC 1606603499 1170797908 /nfs/dbraw/zinc/79/79/08/1170797908.db2.gz WTUNRPRSYIDWMS-SECBINFHSA-N 1 1 196.294 1.161 10 30 ADEEMO C=CC(C)(C)NC(=O)[C@H]1CC[N@@H+]1CC 1606603499 1170797919 /nfs/dbraw/zinc/79/79/19/1170797919.db2.gz WTUNRPRSYIDWMS-SECBINFHSA-N 1 1 196.294 1.161 10 30 ADEEMO CC#CC[N@H+]1CCC[C@@H]1C 1615643593 1170807020 /nfs/dbraw/zinc/80/70/20/1170807020.db2.gz GCCLHPCRZVFQDW-VIFPVBQESA-N 1 1 137.226 1.494 10 30 ADEEMO CC#CC[N@H+]1CCC[C@H]1C 1615643592 1170807400 /nfs/dbraw/zinc/80/74/00/1170807400.db2.gz GCCLHPCRZVFQDW-SECBINFHSA-N 1 1 137.226 1.494 10 30 ADEEMO C#CC[N@H+](CC1=NOCC1)CC1CC1 1616401740 1170807835 /nfs/dbraw/zinc/80/78/35/1170807835.db2.gz FMDVQHKNWJLXFW-UHFFFAOYSA-N 1 1 192.262 1.108 10 30 ADEEMO CC#CC[N@@H+]1CC=CCC1 1616600231 1170809616 /nfs/dbraw/zinc/80/96/16/1170809616.db2.gz DYTCPCRBWJBBHX-UHFFFAOYSA-N 1 1 135.210 1.272 10 30 ADEEMO C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](O)[C@H]2C1 1620577446 1170819026 /nfs/dbraw/zinc/81/90/26/1170819026.db2.gz IPXVNSBNNFLQIM-GRYCIOLGSA-N 1 1 195.306 1.655 10 30 ADEEMO C=CC[N@H+](C)CCN(CC)CCF 1617604880 1170811078 /nfs/dbraw/zinc/81/10/78/1170811078.db2.gz YKAGOUKXXBHVOE-UHFFFAOYSA-N 1 1 188.290 1.396 10 30 ADEEMO C=CC[N@H+](C)CC#CC 1617366354 1170813294 /nfs/dbraw/zinc/81/32/94/1170813294.db2.gz IDCJWMFJXOXDSO-UHFFFAOYSA-N 1 1 123.199 1.128 10 30 ADEEMO C=C(CC)C[N@H+]1CC[C@H](O)[C@@H]1C 1617955730 1170814282 /nfs/dbraw/zinc/81/42/82/1170814282.db2.gz XWDBVDFVTWMIRT-UWVGGRQHSA-N 1 1 169.268 1.408 10 30 ADEEMO C=C(C)C[N@H+]1CCn2nccc2C1 1620449492 1170814957 /nfs/dbraw/zinc/81/49/57/1170814957.db2.gz RKGILDJOLRFHSU-UHFFFAOYSA-N 1 1 177.251 1.275 10 30 ADEEMO CC#CCN1[C@H]2CC[C@@H]1C[N@@H+](C)CC2 1620573234 1170816192 /nfs/dbraw/zinc/81/61/92/1170816192.db2.gz FKBWNCFDDHYBNK-NWDGAFQWSA-N 1 1 192.306 1.178 10 30 ADEEMO CC#CC[N@@H+]1[C@H]2CC[C@@H]1CN(C)CC2 1620573234 1170816198 /nfs/dbraw/zinc/81/61/98/1170816198.db2.gz FKBWNCFDDHYBNK-NWDGAFQWSA-N 1 1 192.306 1.178 10 30 ADEEMO CC#CC[N@H+]1[C@H]2CC[C@@H]1CN(C)CC2 1620573234 1170816211 /nfs/dbraw/zinc/81/62/11/1170816211.db2.gz FKBWNCFDDHYBNK-NWDGAFQWSA-N 1 1 192.306 1.178 10 30 ADEEMO N#CCCCC[N@H+]1CC[C@]12CCOC2 1618638052 1170818960 /nfs/dbraw/zinc/81/89/60/1170818960.db2.gz SMYZFCRIKGQYNR-LLVKDONJSA-N 1 1 194.278 1.545 10 30 ADEEMO N#CCCCC[N@H+]1CC[C@@]12CCOC2 1618638053 1170819403 /nfs/dbraw/zinc/81/94/03/1170819403.db2.gz SMYZFCRIKGQYNR-NSHDSACASA-N 1 1 194.278 1.545 10 30 ADEEMO C=CCC[C@H]1CCC[N@@H+]1CCO 1620641949 1170823283 /nfs/dbraw/zinc/82/32/83/1170823283.db2.gz AEKGLDWMZGYIGC-JTQLQIEISA-N 1 1 169.268 1.409 10 30 ADEEMO C#CC1(O)C[NH+](CC(CC)CC)C1 1620645813 1170824200 /nfs/dbraw/zinc/82/42/00/1170824200.db2.gz JNVDTTDZYLZMAW-UHFFFAOYSA-N 1 1 181.279 1.103 10 30 ADEEMO C=CCC[C@@H]1CCC[N@@H+]1CCO 1620641950 1170825283 /nfs/dbraw/zinc/82/52/83/1170825283.db2.gz AEKGLDWMZGYIGC-SNVBAGLBSA-N 1 1 169.268 1.409 10 30 ADEEMO C#CC1(O)C[NH+](CC2(C)CCCC2)C1 1621553479 1170826128 /nfs/dbraw/zinc/82/61/28/1170826128.db2.gz PZHSAUJWCRMKDM-UHFFFAOYSA-N 1 1 193.290 1.247 10 30 ADEEMO C=C(C)CCNC(=O)[C@@H]1CC[N@H+]1CC 1637123671 1170853073 /nfs/dbraw/zinc/85/30/73/1170853073.db2.gz OYGUZTRCCHIZJB-JTQLQIEISA-N 1 1 196.294 1.163 10 30 ADEEMO C=C(C)CCNC(=O)[C@@H]1CC[N@@H+]1CC 1637123671 1170853079 /nfs/dbraw/zinc/85/30/79/1170853079.db2.gz OYGUZTRCCHIZJB-JTQLQIEISA-N 1 1 196.294 1.163 10 30 ADEEMO C=C(C)CCNC(=O)[C@H]1CC[N@H+]1CC 1637123672 1170854265 /nfs/dbraw/zinc/85/42/65/1170854265.db2.gz OYGUZTRCCHIZJB-SNVBAGLBSA-N 1 1 196.294 1.163 10 30 ADEEMO C=C(C)CCNC(=O)[C@H]1CC[N@@H+]1CC 1637123672 1170854275 /nfs/dbraw/zinc/85/42/75/1170854275.db2.gz OYGUZTRCCHIZJB-SNVBAGLBSA-N 1 1 196.294 1.163 10 30 ADEEMO CCC#C[C@H](C)[N@@H+](CC)CCO 1641702063 1170862060 /nfs/dbraw/zinc/86/20/60/1170862060.db2.gz WWDSAIDTTLIPIQ-JTQLQIEISA-N 1 1 169.268 1.103 10 30 ADEEMO CCC#C[C@H](C)[N@H+]1CCC[C@](C)(O)C1 1642323817 1170862076 /nfs/dbraw/zinc/86/20/76/1170862076.db2.gz NSSXNGCSVHWGDU-RYUDHWBXSA-N 1 1 195.306 1.635 10 30 ADEEMO CCC#C[C@H](C)[N@H+]1CCC[C@@](C)(O)C1 1642323816 1170862566 /nfs/dbraw/zinc/86/25/66/1170862566.db2.gz NSSXNGCSVHWGDU-NWDGAFQWSA-N 1 1 195.306 1.635 10 30 ADEEMO CC#CC[N@H+]1CC[C@H]2[C@@H](C1)C2(F)F 1642341496 1170862760 /nfs/dbraw/zinc/86/27/60/1170862760.db2.gz MXDUEICLQOVBBV-DTWKUNHWSA-N 1 1 185.217 1.597 10 30 ADEEMO CCC#C[C@@H](C)[N@H+]1CCC[C@](C)(O)C1 1642323815 1170863322 /nfs/dbraw/zinc/86/33/22/1170863322.db2.gz NSSXNGCSVHWGDU-NEPJUHHUSA-N 1 1 195.306 1.635 10 30 ADEEMO CC#CC[N@H+]1CC[C@@H]2[C@H](C1)C2(F)F 1642341495 1170863343 /nfs/dbraw/zinc/86/33/43/1170863343.db2.gz MXDUEICLQOVBBV-BDAKNGLRSA-N 1 1 185.217 1.597 10 30 ADEEMO CCC#C[C@@H](C)[N@@H+](CC)CCO 1641702064 1170863382 /nfs/dbraw/zinc/86/33/82/1170863382.db2.gz WWDSAIDTTLIPIQ-SNVBAGLBSA-N 1 1 169.268 1.103 10 30 ADEEMO CCC#C[C@@H](C)[N@H+]1CCC[C@@](C)(O)C1 1642323818 1170863939 /nfs/dbraw/zinc/86/39/39/1170863939.db2.gz NSSXNGCSVHWGDU-VXGBXAGGSA-N 1 1 195.306 1.635 10 30 ADEEMO CCC#C[C@H](C)[N@H+]1CC[C@H](C)[C@H](O)C1 1642534887 1170865933 /nfs/dbraw/zinc/86/59/33/1170865933.db2.gz LQCHOYUIGBRPHK-SDDRHHMPSA-N 1 1 195.306 1.491 10 30 ADEEMO CCC#C[C@H](C)[N@H+]1CC[C@H](C)[C@@H](O)C1 1642534888 1170867093 /nfs/dbraw/zinc/86/70/93/1170867093.db2.gz LQCHOYUIGBRPHK-SRVKXCTJSA-N 1 1 195.306 1.491 10 30 ADEEMO C#CC(C)(C)[N@@H+](C)CC1=NOCC1 1642708411 1170869334 /nfs/dbraw/zinc/86/93/34/1170869334.db2.gz PVJVEEHPKSEIDE-UHFFFAOYSA-N 1 1 180.251 1.106 10 30 ADEEMO CCC#C[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](O)C1 1642534889 1170869355 /nfs/dbraw/zinc/86/93/55/1170869355.db2.gz LQCHOYUIGBRPHK-WOPDTQHZSA-N 1 1 195.306 1.491 10 30 ADEEMO CCC#C[C@H](C)[N@H+]1CC[C@@H](C)[C@H](O)C1 1642534886 1170869762 /nfs/dbraw/zinc/86/97/62/1170869762.db2.gz LQCHOYUIGBRPHK-GRYCIOLGSA-N 1 1 195.306 1.491 10 30 ADEEMO Cc1[nH+]ccn1Cc1ccncc1C#N 1643798222 1170870294 /nfs/dbraw/zinc/87/02/94/1170870294.db2.gz RJLJTSODDIHNRL-UHFFFAOYSA-N 1 1 198.229 1.507 10 30 ADEEMO C=C(C)CC[N@H+]1CCn2nccc2C1 1643956289 1170874546 /nfs/dbraw/zinc/87/45/46/1170874546.db2.gz YGUUWZYQOMBKAQ-UHFFFAOYSA-N 1 1 191.278 1.665 10 30 ADEEMO CCC#C[C@H](C)[N@@H+](CC)CCCO 1644719955 1170875183 /nfs/dbraw/zinc/87/51/83/1170875183.db2.gz DEAVKAIDEHFXDM-NSHDSACASA-N 1 1 183.295 1.493 10 30 ADEEMO CCC#C[C@@H](C)[N@@H+](CC)CCCO 1644719954 1170875664 /nfs/dbraw/zinc/87/56/64/1170875664.db2.gz DEAVKAIDEHFXDM-LLVKDONJSA-N 1 1 183.295 1.493 10 30 ADEEMO C#CC[C@@H]1CCC[N@H+]([C@@H](C)[C@@H](C)O)C1 1646392961 1170878620 /nfs/dbraw/zinc/87/86/20/1170878620.db2.gz RPQULPJKVPQQPN-QJPTWQEYSA-N 1 1 195.306 1.491 10 30 ADEEMO CC#CC[N@@H+](C)C1CCC1 1644700770 1170876729 /nfs/dbraw/zinc/87/67/29/1170876729.db2.gz FEQIRIMEIKCRSW-UHFFFAOYSA-N 1 1 137.226 1.494 10 30 ADEEMO C#CC[N@H+](CC)CC12COC(C)(C1)C2 1644744515 1170876759 /nfs/dbraw/zinc/87/67/59/1170876759.db2.gz XKIYZIQYNILERU-UHFFFAOYSA-N 1 1 193.290 1.511 10 30 ADEEMO C=CC[N@@H+](CC1=NOCC1)C1CC1 1645017895 1170876803 /nfs/dbraw/zinc/87/68/03/1170876803.db2.gz HDFCYKQICSWFRF-UHFFFAOYSA-N 1 1 180.251 1.413 10 30 ADEEMO C#CC[C@@H]1CCC[N@H+]([C@@H](C)[C@H](C)O)C1 1646392962 1170878567 /nfs/dbraw/zinc/87/85/67/1170878567.db2.gz RPQULPJKVPQQPN-SDDRHHMPSA-N 1 1 195.306 1.491 10 30 ADEEMO C#CC[C@@H]1CCC[N@H+]([C@H](C)[C@H](C)O)C1 1646392959 1170880013 /nfs/dbraw/zinc/88/00/13/1170880013.db2.gz RPQULPJKVPQQPN-GRYCIOLGSA-N 1 1 195.306 1.491 10 30 ADEEMO C#CC[C@@H]1CCC[N@H+]([C@H](C)[C@@H](C)O)C1 1646392960 1170882859 /nfs/dbraw/zinc/88/28/59/1170882859.db2.gz RPQULPJKVPQQPN-IJLUTSLNSA-N 1 1 195.306 1.491 10 30 ADEEMO C#CCCN1CC[C@H]([N@H+](C)CC)C1 1648680784 1170883172 /nfs/dbraw/zinc/88/31/72/1170883172.db2.gz ONPGCTLYXBAHGY-NSHDSACASA-N 1 1 180.295 1.036 10 30 ADEEMO C#CCC[N@H+]1CC[C@H](N(C)CC)C1 1648680784 1170883184 /nfs/dbraw/zinc/88/31/84/1170883184.db2.gz ONPGCTLYXBAHGY-NSHDSACASA-N 1 1 180.295 1.036 10 30 ADEEMO C#CCC[N@@H+]1CC[C@H](N(C)CC)C1 1648680784 1170883195 /nfs/dbraw/zinc/88/31/95/1170883195.db2.gz ONPGCTLYXBAHGY-NSHDSACASA-N 1 1 180.295 1.036 10 30 ADEEMO C#CCCN1CC[C@@H]([N@H+](C)CC)C1 1648680783 1170883275 /nfs/dbraw/zinc/88/32/75/1170883275.db2.gz ONPGCTLYXBAHGY-LLVKDONJSA-N 1 1 180.295 1.036 10 30 ADEEMO C#CCC[N@H+]1CC[C@@H](N(C)CC)C1 1648680783 1170883289 /nfs/dbraw/zinc/88/32/89/1170883289.db2.gz ONPGCTLYXBAHGY-LLVKDONJSA-N 1 1 180.295 1.036 10 30 ADEEMO C#CCC[N@@H+]1CC[C@@H](N(C)CC)C1 1648680783 1170883300 /nfs/dbraw/zinc/88/33/00/1170883300.db2.gz ONPGCTLYXBAHGY-LLVKDONJSA-N 1 1 180.295 1.036 10 30 ADEEMO C=C(C)[C@@H](CO)[N@@H+](C)CC1CCC1 1648528567 1170883472 /nfs/dbraw/zinc/88/34/72/1170883472.db2.gz BYTYRNMCTLLEEC-LLVKDONJSA-N 1 1 183.295 1.655 10 30 ADEEMO C=CCC[N@H+]1CCn2nccc2C1 1647856209 1170884081 /nfs/dbraw/zinc/88/40/81/1170884081.db2.gz CIMRTWQNEBHDBJ-UHFFFAOYSA-N 1 1 177.251 1.275 10 30 ADEEMO CC#CC[N@H+]1CCCC[C@@]12CCOC2 1648641983 1170884636 /nfs/dbraw/zinc/88/46/36/1170884636.db2.gz SHIAOOCJTPXEJC-LBPRGKRZSA-N 1 1 193.290 1.655 10 30 ADEEMO C=CCC[C@@H]1CCC[N@@H+]1CC[N+](=O)[O-] 1648528849 1170886454 /nfs/dbraw/zinc/88/64/54/1170886454.db2.gz RRXVQBXYZFJKEQ-SNVBAGLBSA-N 1 1 198.266 1.694 10 30 ADEEMO CC#CC[N@H+]1CCCC[C@]12CCOC2 1648641982 1170885450 /nfs/dbraw/zinc/88/54/50/1170885450.db2.gz SHIAOOCJTPXEJC-GFCCVEGCSA-N 1 1 193.290 1.655 10 30 ADEEMO C=CCC[C@H]1CCC[N@@H+]1CC[N+](=O)[O-] 1648528848 1170885870 /nfs/dbraw/zinc/88/58/70/1170885870.db2.gz RRXVQBXYZFJKEQ-JTQLQIEISA-N 1 1 198.266 1.694 10 30 ADEEMO C=C(C)CC[N@@H+](C)Cc1ncccn1 1648162477 1170887038 /nfs/dbraw/zinc/88/70/38/1170887038.db2.gz WWHLOCXHDZTYHV-UHFFFAOYSA-N 1 1 191.278 1.875 10 30 ADEEMO C=C(C)CC[N@H+](C)Cc1ncccn1 1648162477 1170887049 /nfs/dbraw/zinc/88/70/49/1170887049.db2.gz WWHLOCXHDZTYHV-UHFFFAOYSA-N 1 1 191.278 1.875 10 30 ADEEMO C=C(C)[C@H](CO)[N@@H+](C)CC1CCC1 1648528568 1170887206 /nfs/dbraw/zinc/88/72/06/1170887206.db2.gz BYTYRNMCTLLEEC-NSHDSACASA-N 1 1 183.295 1.655 10 30 ADEEMO CC#CC[N@H+]1C[C@H]2CSC[C@@]2(C)C1 1648544441 1170887261 /nfs/dbraw/zinc/88/72/61/1170887261.db2.gz OMWHLPIYPDNQCG-WDEREUQCSA-N 1 1 195.331 1.695 10 30 ADEEMO C=C1CN(c2[nH+]cnc3[nH]ccc23)C1 1652034816 1170894063 /nfs/dbraw/zinc/89/40/63/1170894063.db2.gz QUQFGEKTRJLUDP-UHFFFAOYSA-N 1 1 186.218 1.334 10 30 ADEEMO C#C[C@H](CC)[NH2+]Cc1ccn(CC)n1 1652413549 1170896048 /nfs/dbraw/zinc/89/60/48/1170896048.db2.gz UXMCOSGFLKFMHD-SNVBAGLBSA-N 1 1 191.278 1.404 10 30 ADEEMO C#C[C@@H](CC)[NH2+]Cc1ccn(CC)n1 1652413548 1170896349 /nfs/dbraw/zinc/89/63/49/1170896349.db2.gz UXMCOSGFLKFMHD-JTQLQIEISA-N 1 1 191.278 1.404 10 30 ADEEMO CC#CC[N@H+](CC)CCC 1652369326 1170897771 /nfs/dbraw/zinc/89/77/71/1170897771.db2.gz DDQZQVZWBFEXMT-UHFFFAOYSA-N 1 1 139.242 1.742 10 30 ADEEMO CC#CC[N@@H+](C)C1CC1 1652354195 1170899614 /nfs/dbraw/zinc/89/96/14/1170899614.db2.gz JZQSKXQUJMGOFJ-UHFFFAOYSA-N 1 1 123.199 1.104 10 30 ADEEMO CC#CC[N@H+]1CC[C@H](C)C1 1652662025 1170901982 /nfs/dbraw/zinc/90/19/82/1170901982.db2.gz IBNFYQQTFSUBMT-VIFPVBQESA-N 1 1 137.226 1.352 10 30 ADEEMO CC#CC[N@H+]1CC[C@@H](C)C1 1652662024 1170902657 /nfs/dbraw/zinc/90/26/57/1170902657.db2.gz IBNFYQQTFSUBMT-SECBINFHSA-N 1 1 137.226 1.352 10 30 ADEEMO C#CC[N@@H+](C)Cc1cccn1C1CC1 1653191529 1170903641 /nfs/dbraw/zinc/90/36/41/1170903641.db2.gz LIBLTVBAOYIVEC-UHFFFAOYSA-N 1 1 188.274 1.888 10 30 ADEEMO C#CC[N@H+](C)Cc1cccn1C1CC1 1653191529 1170903648 /nfs/dbraw/zinc/90/36/48/1170903648.db2.gz LIBLTVBAOYIVEC-UHFFFAOYSA-N 1 1 188.274 1.888 10 30 ADEEMO C#CC[N@H+](C)CCC(C)(C)C(=O)OC 1653192287 1170904630 /nfs/dbraw/zinc/90/46/30/1170904630.db2.gz ZBGWXVLHKFQUBY-UHFFFAOYSA-N 1 1 197.278 1.141 10 30 ADEEMO C#CC[N@@H+](C)CCC[C@H]1CCO1 1653191455 1170904705 /nfs/dbraw/zinc/90/47/05/1170904705.db2.gz JOUWSDVBBPEHAB-JTQLQIEISA-N 1 1 167.252 1.121 10 30 ADEEMO C=C(C)C[N@@H+](C)CC1CC1 1653175798 1170904858 /nfs/dbraw/zinc/90/48/58/1170904858.db2.gz MWHZSITWSOMERC-UHFFFAOYSA-N 1 1 139.242 1.904 10 30 ADEEMO C=CCO[C@H]1CC[N@H+](CC(C)(C)O)C1 1652994890 1170905133 /nfs/dbraw/zinc/90/51/33/1170905133.db2.gz YUGCWJLWUVYTEU-JTQLQIEISA-N 1 1 199.294 1.034 10 30 ADEEMO CC#CC[N@H+]1CC[C@@H]2C[C@@H]21 1653163333 1170905809 /nfs/dbraw/zinc/90/58/09/1170905809.db2.gz PKTXMZSFCDGHOW-BDAKNGLRSA-N 1 1 135.210 1.104 10 30 ADEEMO CC#CC[N@H+]1CC[C@H]2C[C@H]21 1653163334 1170906099 /nfs/dbraw/zinc/90/60/99/1170906099.db2.gz PKTXMZSFCDGHOW-DTWKUNHWSA-N 1 1 135.210 1.104 10 30 ADEEMO C=CCO[C@@H]1CC[N@H+](CC(C)(C)O)C1 1652994891 1170906533 /nfs/dbraw/zinc/90/65/33/1170906533.db2.gz YUGCWJLWUVYTEU-SNVBAGLBSA-N 1 1 199.294 1.034 10 30 ADEEMO C#CC[N@@H+](C)CCC[C@@H]1CCO1 1653191457 1170906721 /nfs/dbraw/zinc/90/67/21/1170906721.db2.gz JOUWSDVBBPEHAB-SNVBAGLBSA-N 1 1 167.252 1.121 10 30 ADEEMO CCC#C[C@@H](C)[N@@H+](C)C[C@H](O)C1CC1 1653546235 1170908134 /nfs/dbraw/zinc/90/81/34/1170908134.db2.gz AKJZGXRMLISDMC-PWSUYJOCSA-N 1 1 195.306 1.491 10 30 ADEEMO C#C[C@H](C)[N@H+](C)Cc1cc(C#N)ccn1 1653460038 1170908152 /nfs/dbraw/zinc/90/81/52/1170908152.db2.gz QOXHMOGEHWCLSA-JTQLQIEISA-N 1 1 199.257 1.407 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)Cc1cc(C#N)ccn1 1653460038 1170908154 /nfs/dbraw/zinc/90/81/54/1170908154.db2.gz QOXHMOGEHWCLSA-JTQLQIEISA-N 1 1 199.257 1.407 10 30 ADEEMO CCC#C[C@H](C)[N@H+]1CC[C@H](COC)C1 1653419756 1170908196 /nfs/dbraw/zinc/90/81/96/1170908196.db2.gz QKPNEIWMXSZNIC-RYUDHWBXSA-N 1 1 195.306 1.757 10 30 ADEEMO CC[C@H]1CC[N@@H+](CC#CCOC)[C@H]1C 1653354266 1170908472 /nfs/dbraw/zinc/90/84/72/1170908472.db2.gz PTCQOLGCVBYSGJ-RYUDHWBXSA-N 1 1 195.306 1.757 10 30 ADEEMO CCC#C[C@H](C)[N@@H+](C)C[C@@H](O)C1CC1 1653546233 1170909219 /nfs/dbraw/zinc/90/92/19/1170909219.db2.gz AKJZGXRMLISDMC-CMPLNLGQSA-N 1 1 195.306 1.491 10 30 ADEEMO C#C[C@@H](C)[N@H+](C)Cc1cc(C#N)ccn1 1653460039 1170909423 /nfs/dbraw/zinc/90/94/23/1170909423.db2.gz QOXHMOGEHWCLSA-SNVBAGLBSA-N 1 1 199.257 1.407 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)Cc1cc(C#N)ccn1 1653460039 1170909428 /nfs/dbraw/zinc/90/94/28/1170909428.db2.gz QOXHMOGEHWCLSA-SNVBAGLBSA-N 1 1 199.257 1.407 10 30 ADEEMO CC[C@@H]1CC[N@@H+](CC#CCOC)[C@H]1C 1653354265 1170909726 /nfs/dbraw/zinc/90/97/26/1170909726.db2.gz PTCQOLGCVBYSGJ-NWDGAFQWSA-N 1 1 195.306 1.757 10 30 ADEEMO CCC#C[C@@H](C)[N@@H+](C)C[C@@H](O)C1CC1 1653546236 1170909952 /nfs/dbraw/zinc/90/99/52/1170909952.db2.gz AKJZGXRMLISDMC-ZYHUDNBSSA-N 1 1 195.306 1.491 10 30 ADEEMO CC#CC[N@H+](C)CCCC 1653747833 1170910032 /nfs/dbraw/zinc/91/00/32/1170910032.db2.gz IRIVCEOEWVBASV-UHFFFAOYSA-N 1 1 139.242 1.742 10 30 ADEEMO CC[C@H]1CC[N@@H+](CC#CCOC)[C@@H]1C 1653354264 1170910103 /nfs/dbraw/zinc/91/01/03/1170910103.db2.gz PTCQOLGCVBYSGJ-NEPJUHHUSA-N 1 1 195.306 1.757 10 30 ADEEMO CCC#C[C@@H](C)[N@H+]1CC[C@@H](COC)C1 1653419757 1170910314 /nfs/dbraw/zinc/91/03/14/1170910314.db2.gz QKPNEIWMXSZNIC-VXGBXAGGSA-N 1 1 195.306 1.757 10 30 ADEEMO CCC#C[C@H](C)[N@@H+](C)C[C@H](O)C1CC1 1653546234 1170910847 /nfs/dbraw/zinc/91/08/47/1170910847.db2.gz AKJZGXRMLISDMC-JQWIXIFHSA-N 1 1 195.306 1.491 10 30 ADEEMO CCC#C[C@@H](C)[N@H+]1CC[C@H](COC)C1 1653419754 1170911011 /nfs/dbraw/zinc/91/10/11/1170911011.db2.gz QKPNEIWMXSZNIC-NEPJUHHUSA-N 1 1 195.306 1.757 10 30 ADEEMO CC[C@@H]1CC[N@@H+](CC#CCOC)[C@@H]1C 1653354267 1170911050 /nfs/dbraw/zinc/91/10/50/1170911050.db2.gz PTCQOLGCVBYSGJ-VXGBXAGGSA-N 1 1 195.306 1.757 10 30 ADEEMO CCC[C@@H](C)[NH+]1CC(O)(CC#N)C1 1653387775 1170911123 /nfs/dbraw/zinc/91/11/23/1170911123.db2.gz VMJUNDCALOQGKE-SECBINFHSA-N 1 1 182.267 1.135 10 30 ADEEMO CCC[C@H](C)[NH+]1CC(O)(CC#N)C1 1653387776 1170911163 /nfs/dbraw/zinc/91/11/63/1170911163.db2.gz VMJUNDCALOQGKE-VIFPVBQESA-N 1 1 182.267 1.135 10 30 ADEEMO CCC#C[C@H](C)[N@H+]1CC[C@@H](COC)C1 1653419755 1170911182 /nfs/dbraw/zinc/91/11/82/1170911182.db2.gz QKPNEIWMXSZNIC-NWDGAFQWSA-N 1 1 195.306 1.757 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1C[C@H]2COC(=O)[C@H]2C1 1654430309 1170912438 /nfs/dbraw/zinc/91/24/38/1170912438.db2.gz QGAZYSZVUIKDJQ-UTLUCORTSA-N 1 1 195.262 1.056 10 30 ADEEMO C=C(C)[C@H](CO)[N@H+]1C[C@H]2CCCC[C@H]21 1654129791 1170912992 /nfs/dbraw/zinc/91/29/92/1170912992.db2.gz NTVQVUSQTLUBLL-UTUOFQBUSA-N 1 1 195.306 1.798 10 30 ADEEMO C=CC[C@H](C)[N@H+]1C[C@H]2COC(=O)[C@H]2C1 1654430308 1170913729 /nfs/dbraw/zinc/91/37/29/1170913729.db2.gz QGAZYSZVUIKDJQ-GUBZILKMSA-N 1 1 195.262 1.056 10 30 ADEEMO COCC#CC[N@H+]1C[C@H]2CCCC[C@H]21 1654129595 1170913749 /nfs/dbraw/zinc/91/37/49/1170913749.db2.gz GCQJLXQTHCCXAH-VXGBXAGGSA-N 1 1 193.290 1.511 10 30 ADEEMO C=CCC[N@H+](C)CC1=NOCC1 1654172523 1170914226 /nfs/dbraw/zinc/91/42/26/1170914226.db2.gz FLGQOVBHTYAPSE-UHFFFAOYSA-N 1 1 168.240 1.271 10 30 ADEEMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](O)C[C@H]2C1 1654226267 1170914480 /nfs/dbraw/zinc/91/44/80/1170914480.db2.gz UBFAINRYZPMGPX-GRYCIOLGSA-N 1 1 195.306 1.655 10 30 ADEEMO CC#CC[N@H+]1CC(C)(C)[C@H]2COC[C@H]21 1653872397 1170914606 /nfs/dbraw/zinc/91/46/06/1170914606.db2.gz KIRRPGHEQWCTFG-WDEREUQCSA-N 1 1 193.290 1.367 10 30 ADEEMO C=C(C)[C@@H](CO)[N@H+]1C[C@H]2CCCC[C@H]21 1654129788 1170914994 /nfs/dbraw/zinc/91/49/94/1170914994.db2.gz NTVQVUSQTLUBLL-IJLUTSLNSA-N 1 1 195.306 1.798 10 30 ADEEMO C#C[C@@H]1CCC[N@H+]([C@H](C)[C@@H](C)O)C1 1654867839 1170916449 /nfs/dbraw/zinc/91/64/49/1170916449.db2.gz KKKSPRYCXOBRHU-GMTAPVOTSA-N 1 1 181.279 1.101 10 30 ADEEMO C#C[C@@H]1CCC[N@H+]([C@@H](C)[C@H](C)O)C1 1654867838 1170916746 /nfs/dbraw/zinc/91/67/46/1170916746.db2.gz KKKSPRYCXOBRHU-GARJFASQSA-N 1 1 181.279 1.101 10 30 ADEEMO C=C(C)C[N@H+]1CC(C)(C)[C@H]2COC[C@H]21 1654710399 1170917409 /nfs/dbraw/zinc/91/74/09/1170917409.db2.gz MKBMEPHHUPOYQR-WDEREUQCSA-N 1 1 195.306 1.919 10 30 ADEEMO C#C[C@@H]1CCC[N@H+]([C@H](C)[C@H](C)O)C1 1654867841 1170917564 /nfs/dbraw/zinc/91/75/64/1170917564.db2.gz KKKSPRYCXOBRHU-OUAUKWLOSA-N 1 1 181.279 1.101 10 30 ADEEMO C=C(CC)C[N@H+]1C[C@H]2CCN(C)[C@H]2C1 1654511208 1170918488 /nfs/dbraw/zinc/91/84/88/1170918488.db2.gz HGSHWWJDXVWKSX-NEPJUHHUSA-N 1 1 194.322 1.589 10 30 ADEEMO C=C(CC)CN1C[C@H]2CC[N@H+](C)[C@H]2C1 1654511208 1170918491 /nfs/dbraw/zinc/91/84/91/1170918491.db2.gz HGSHWWJDXVWKSX-NEPJUHHUSA-N 1 1 194.322 1.589 10 30 ADEEMO C=C(CC)CN1C[C@H]2CC[N@@H+](C)[C@H]2C1 1654511208 1170918495 /nfs/dbraw/zinc/91/84/95/1170918495.db2.gz HGSHWWJDXVWKSX-NEPJUHHUSA-N 1 1 194.322 1.589 10 30 ADEEMO C#C[C@@H]1CCC[N@H+]([C@@H](C)[C@@H](C)O)C1 1654867840 1170918547 /nfs/dbraw/zinc/91/85/47/1170918547.db2.gz KKKSPRYCXOBRHU-HBNTYKKESA-N 1 1 181.279 1.101 10 30 ADEEMO C=CCCCC[N@@H+]1CC[C@H](O)[C@@H]1C 1654464423 1170919252 /nfs/dbraw/zinc/91/92/52/1170919252.db2.gz VXJJGFWXMZIRQC-QWRGUYRKSA-N 1 1 183.295 1.798 10 30 ADEEMO C=CCC[N@@H+]1CC[C@H](O)[C@@H]1C 1654464178 1170919821 /nfs/dbraw/zinc/91/98/21/1170919821.db2.gz QJBNCNZGUJNSAN-IUCAKERBSA-N 1 1 155.241 1.018 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CCn2nccc2C1 1655170591 1170920652 /nfs/dbraw/zinc/92/06/52/1170920652.db2.gz YLMCFQUOPYGFGL-JTQLQIEISA-N 1 1 191.278 1.663 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CCn2nccc2C1 1655170592 1170920788 /nfs/dbraw/zinc/92/07/88/1170920788.db2.gz YLMCFQUOPYGFGL-SNVBAGLBSA-N 1 1 191.278 1.663 10 30 ADEEMO C=C(C)CC[N@H+](C)Cc1ccn(C)n1 1655069079 1170920871 /nfs/dbraw/zinc/92/08/71/1170920871.db2.gz IYZRLJFHRLAKSM-UHFFFAOYSA-N 1 1 193.294 1.818 10 30 ADEEMO CC#CC[N@H+]1C[C@@H](C)OCC[C@H]1C 1655120261 1170920955 /nfs/dbraw/zinc/92/09/55/1170920955.db2.gz KXPQLRVPCVYFLQ-GHMZBOCLSA-N 1 1 181.279 1.509 10 30 ADEEMO C=CCCC[N@H+]1C[C@H]2COC(=O)[C@H]2C1 1655245867 1170920981 /nfs/dbraw/zinc/92/09/81/1170920981.db2.gz MOTRQGPEUDBHDF-UWVGGRQHSA-N 1 1 195.262 1.057 10 30 ADEEMO C=CC[C@@H]1CC[N@H+](CC)C1 1655174937 1170921104 /nfs/dbraw/zinc/92/11/04/1170921104.db2.gz AOEYIILKZRMZKW-SECBINFHSA-N 1 1 139.242 1.904 10 30 ADEEMO C=CC[C@H]1CC[N@H+](CC)C1 1655174938 1170921409 /nfs/dbraw/zinc/92/14/09/1170921409.db2.gz AOEYIILKZRMZKW-VIFPVBQESA-N 1 1 139.242 1.904 10 30 ADEEMO C=C(C)C[N@H+]1CC[C@]2(CCOC2=O)C1 1655138187 1170921457 /nfs/dbraw/zinc/92/14/57/1170921457.db2.gz RVAOOVVACFXWIA-NSHDSACASA-N 1 1 195.262 1.202 10 30 ADEEMO C=C(C)C[N@H+]1CC[C@@]2(CCOC2=O)C1 1655138186 1170921499 /nfs/dbraw/zinc/92/14/99/1170921499.db2.gz RVAOOVVACFXWIA-LLVKDONJSA-N 1 1 195.262 1.202 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CC[C@H](N(C)CC)C1 1656599967 1170921903 /nfs/dbraw/zinc/92/19/03/1170921903.db2.gz FCOTYVLDEXDJGC-NEPJUHHUSA-N 1 1 196.338 1.977 10 30 ADEEMO C=CC[C@@H](C)N1CC[C@H]([N@@H+](C)CC)C1 1656599967 1170921905 /nfs/dbraw/zinc/92/19/05/1170921905.db2.gz FCOTYVLDEXDJGC-NEPJUHHUSA-N 1 1 196.338 1.977 10 30 ADEEMO C=CC[C@@H](C)N1CC[C@H]([N@H+](C)CC)C1 1656599967 1170921909 /nfs/dbraw/zinc/92/19/09/1170921909.db2.gz FCOTYVLDEXDJGC-NEPJUHHUSA-N 1 1 196.338 1.977 10 30 ADEEMO C=C(CC)CN1CC[C@@H]([N@H+](C)CC)C1 1655940537 1170922118 /nfs/dbraw/zinc/92/21/18/1170922118.db2.gz VLJGWDZMICBSEZ-GFCCVEGCSA-N 1 1 196.338 1.979 10 30 ADEEMO C=C(CC)C[N@H+]1CC[C@@H](N(C)CC)C1 1655940537 1170922122 /nfs/dbraw/zinc/92/21/22/1170922122.db2.gz VLJGWDZMICBSEZ-GFCCVEGCSA-N 1 1 196.338 1.979 10 30 ADEEMO C=C(CC)C[N@@H+]1CC[C@@H](N(C)CC)C1 1655940537 1170922127 /nfs/dbraw/zinc/92/21/27/1170922127.db2.gz VLJGWDZMICBSEZ-GFCCVEGCSA-N 1 1 196.338 1.979 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@@H](N(C)CC)C1 1656599971 1170922839 /nfs/dbraw/zinc/92/28/39/1170922839.db2.gz FCOTYVLDEXDJGC-NWDGAFQWSA-N 1 1 196.338 1.977 10 30 ADEEMO C=CC[C@H](C)N1CC[C@@H]([N@@H+](C)CC)C1 1656599971 1170922847 /nfs/dbraw/zinc/92/28/47/1170922847.db2.gz FCOTYVLDEXDJGC-NWDGAFQWSA-N 1 1 196.338 1.977 10 30 ADEEMO C=CC[C@H](C)N1CC[C@@H]([N@H+](C)CC)C1 1656599971 1170922857 /nfs/dbraw/zinc/92/28/57/1170922857.db2.gz FCOTYVLDEXDJGC-NWDGAFQWSA-N 1 1 196.338 1.977 10 30 ADEEMO C=CCC[N@H+]1CCN2C[C@@H](F)C[C@H]2C1 1656384295 1170923032 /nfs/dbraw/zinc/92/30/32/1170923032.db2.gz MOQMIMSBZGEPMU-QWRGUYRKSA-N 1 1 198.285 1.291 10 30 ADEEMO C[C@@H]1C[N@@H+](CCCC#N)[C@H](C)CCO1 1656545184 1170923402 /nfs/dbraw/zinc/92/34/02/1170923402.db2.gz PEYPHZXPBNIMTP-GHMZBOCLSA-N 1 1 196.294 1.789 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CC[C@@H](N(C)CC)C1 1656599975 1170923610 /nfs/dbraw/zinc/92/36/10/1170923610.db2.gz FCOTYVLDEXDJGC-VXGBXAGGSA-N 1 1 196.338 1.977 10 30 ADEEMO C=CC[C@@H](C)N1CC[C@@H]([N@@H+](C)CC)C1 1656599975 1170923615 /nfs/dbraw/zinc/92/36/15/1170923615.db2.gz FCOTYVLDEXDJGC-VXGBXAGGSA-N 1 1 196.338 1.977 10 30 ADEEMO C=CC[C@@H](C)N1CC[C@@H]([N@H+](C)CC)C1 1656599975 1170923621 /nfs/dbraw/zinc/92/36/21/1170923621.db2.gz FCOTYVLDEXDJGC-VXGBXAGGSA-N 1 1 196.338 1.977 10 30 ADEEMO C=C(CC)CN1CC[C@H]([N@H+](C)CC)C1 1655940539 1170923818 /nfs/dbraw/zinc/92/38/18/1170923818.db2.gz VLJGWDZMICBSEZ-LBPRGKRZSA-N 1 1 196.338 1.979 10 30 ADEEMO C=C(CC)C[N@H+]1CC[C@H](N(C)CC)C1 1655940539 1170923823 /nfs/dbraw/zinc/92/38/23/1170923823.db2.gz VLJGWDZMICBSEZ-LBPRGKRZSA-N 1 1 196.338 1.979 10 30 ADEEMO C=C(CC)C[N@@H+]1CC[C@H](N(C)CC)C1 1655940539 1170923832 /nfs/dbraw/zinc/92/38/32/1170923832.db2.gz VLJGWDZMICBSEZ-LBPRGKRZSA-N 1 1 196.338 1.979 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@H](N(C)CC)C1 1656599973 1170924249 /nfs/dbraw/zinc/92/42/49/1170924249.db2.gz FCOTYVLDEXDJGC-RYUDHWBXSA-N 1 1 196.338 1.977 10 30 ADEEMO C=CC[C@H](C)N1CC[C@H]([N@@H+](C)CC)C1 1656599973 1170924253 /nfs/dbraw/zinc/92/42/53/1170924253.db2.gz FCOTYVLDEXDJGC-RYUDHWBXSA-N 1 1 196.338 1.977 10 30 ADEEMO C=CC[C@H](C)N1CC[C@H]([N@H+](C)CC)C1 1656599973 1170924259 /nfs/dbraw/zinc/92/42/59/1170924259.db2.gz FCOTYVLDEXDJGC-RYUDHWBXSA-N 1 1 196.338 1.977 10 30 ADEEMO C#CC[N@@H+](CC1CC1)[C@H](C)[C@H](C)O 1657835227 1170927605 /nfs/dbraw/zinc/92/76/05/1170927605.db2.gz XBGDFWNBQKEGBF-ZJUUUORDSA-N 1 1 181.279 1.101 10 30 ADEEMO C#CC[N@@H+](CC1CC1)[C@H](C)[C@@H](C)O 1657835224 1170927706 /nfs/dbraw/zinc/92/77/06/1170927706.db2.gz XBGDFWNBQKEGBF-NXEZZACHSA-N 1 1 181.279 1.101 10 30 ADEEMO C#CC[N@@H+](CC1CC1)[C@@H](C)[C@H](C)O 1657835225 1170927855 /nfs/dbraw/zinc/92/78/55/1170927855.db2.gz XBGDFWNBQKEGBF-UWVGGRQHSA-N 1 1 181.279 1.101 10 30 ADEEMO C#C[C@@H](C)[NH2+]Cc1ncccc1F 1658065463 1170928323 /nfs/dbraw/zinc/92/83/23/1170928323.db2.gz XINHVVVBEVMPNU-MRVPVSSYSA-N 1 1 178.210 1.332 10 30 ADEEMO C#CC[N@@H+](CC1CC1)[C@@H](C)[C@@H](C)O 1657835226 1170929074 /nfs/dbraw/zinc/92/90/74/1170929074.db2.gz XBGDFWNBQKEGBF-VHSXEESVSA-N 1 1 181.279 1.101 10 30 ADEEMO C=CCO[C@@H]1CC[N@H+]([C@H](C)[C@@H](C)O)C1 1657913139 1170929161 /nfs/dbraw/zinc/92/91/61/1170929161.db2.gz UPTONVTVMHNUNV-GMTAPVOTSA-N 1 1 199.294 1.033 10 30 ADEEMO C=CCO[C@@H]1CC[N@H+]([C@@H](C)[C@H](C)O)C1 1657913138 1170929203 /nfs/dbraw/zinc/92/92/03/1170929203.db2.gz UPTONVTVMHNUNV-GARJFASQSA-N 1 1 199.294 1.033 10 30 ADEEMO C=CCO[C@@H]1CC[N@H+]([C@H](C)[C@H](C)O)C1 1657913142 1170929412 /nfs/dbraw/zinc/92/94/12/1170929412.db2.gz UPTONVTVMHNUNV-OUAUKWLOSA-N 1 1 199.294 1.033 10 30 ADEEMO C#C[C@H](C)[NH2+]Cc1ncccc1F 1658065471 1170930667 /nfs/dbraw/zinc/93/06/67/1170930667.db2.gz XINHVVVBEVMPNU-QMMMGPOBSA-N 1 1 178.210 1.332 10 30 ADEEMO C=CCO[C@@H]1CC[N@H+]([C@@H](C)[C@@H](C)O)C1 1657913141 1170930828 /nfs/dbraw/zinc/93/08/28/1170930828.db2.gz UPTONVTVMHNUNV-HBNTYKKESA-N 1 1 199.294 1.033 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)C[C@H]1CCCC[C@H]1O 1658466485 1170931470 /nfs/dbraw/zinc/93/14/70/1170931470.db2.gz RFZSBPIZAIVKEK-QJPTWQEYSA-N 1 1 195.306 1.491 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)C[C@H]1CCCC[C@@H]1O 1658466491 1170932025 /nfs/dbraw/zinc/93/20/25/1170932025.db2.gz RFZSBPIZAIVKEK-TUAOUCFPSA-N 1 1 195.306 1.491 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)C[C@@H]1CCCC[C@H]1O 1658466486 1170933594 /nfs/dbraw/zinc/93/35/94/1170933594.db2.gz RFZSBPIZAIVKEK-SDDRHHMPSA-N 1 1 195.306 1.491 10 30 ADEEMO C=CCN(C)CC[N@H+](CC)C(C)C 1658465925 1170933802 /nfs/dbraw/zinc/93/38/02/1170933802.db2.gz DCXKBNXKPWPVFX-UHFFFAOYSA-N 1 1 184.327 1.835 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)C[C@@H]1CCCC[C@@H]1O 1658466487 1170933838 /nfs/dbraw/zinc/93/38/38/1170933838.db2.gz RFZSBPIZAIVKEK-SRVKXCTJSA-N 1 1 195.306 1.491 10 30 ADEEMO C=CC[N@H+](C)C[C@@H]1CCNC(=O)CC1 1658340856 1170933951 /nfs/dbraw/zinc/93/39/51/1170933951.db2.gz FLPTXUNLHKSARP-JTQLQIEISA-N 1 1 196.294 1.021 10 30 ADEEMO C#CC[N@H+](C)[C@@H](C)CC=C 1658520389 1170934127 /nfs/dbraw/zinc/93/41/27/1170934127.db2.gz HWVDGGPKDAKJAM-VIFPVBQESA-N 1 1 137.226 1.516 10 30 ADEEMO C=CC[N@H+](C)C[C@H]1CCNC(=O)CC1 1658340857 1170934156 /nfs/dbraw/zinc/93/41/56/1170934156.db2.gz FLPTXUNLHKSARP-SNVBAGLBSA-N 1 1 196.294 1.021 10 30 ADEEMO C#CC[N@H+](C)[C@H](C)CC=C 1658520383 1170934318 /nfs/dbraw/zinc/93/43/18/1170934318.db2.gz HWVDGGPKDAKJAM-SECBINFHSA-N 1 1 137.226 1.516 10 30 ADEEMO C#CC[N@H+](C)C[C@]1(C)CCCCO1 1659020280 1170935239 /nfs/dbraw/zinc/93/52/39/1170935239.db2.gz FKHDQYBKRNQADP-NSHDSACASA-N 1 1 181.279 1.511 10 30 ADEEMO C#CC[N@H+](C)C[C@@]1(C)CCCCO1 1659020276 1170937489 /nfs/dbraw/zinc/93/74/89/1170937489.db2.gz FKHDQYBKRNQADP-LLVKDONJSA-N 1 1 181.279 1.511 10 30 ADEEMO C#C[C@H](C)[N@H+](C)Cc1cccnc1N 1659622024 1170939118 /nfs/dbraw/zinc/93/91/18/1170939118.db2.gz GAQYZIBQWAKRRO-VIFPVBQESA-N 1 1 189.262 1.117 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)Cc1cccnc1N 1659622024 1170939120 /nfs/dbraw/zinc/93/91/20/1170939120.db2.gz GAQYZIBQWAKRRO-VIFPVBQESA-N 1 1 189.262 1.117 10 30 ADEEMO C#C[C@@H](C)[N@H+](C)Cc1cccnc1N 1659622023 1170939380 /nfs/dbraw/zinc/93/93/80/1170939380.db2.gz GAQYZIBQWAKRRO-SECBINFHSA-N 1 1 189.262 1.117 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)Cc1cccnc1N 1659622023 1170939385 /nfs/dbraw/zinc/93/93/85/1170939385.db2.gz GAQYZIBQWAKRRO-SECBINFHSA-N 1 1 189.262 1.117 10 30 ADEEMO C=C(CC)C[N@H+]1CCn2nccc2C1 1659563202 1170939997 /nfs/dbraw/zinc/93/99/97/1170939997.db2.gz SPMGSIVUINCFFH-UHFFFAOYSA-N 1 1 191.278 1.665 10 30 ADEEMO C=CCC[N@H+](C)Cc1ccn(CC)n1 1659463936 1170940653 /nfs/dbraw/zinc/94/06/53/1170940653.db2.gz YYOFOCBJQLPGTC-UHFFFAOYSA-N 1 1 193.294 1.911 10 30 ADEEMO C#CC[N@H+](C)C[C@@H](C)CCC#N 1660819448 1170945292 /nfs/dbraw/zinc/94/52/92/1170945292.db2.gz KFBVZOQIAGURIO-JTQLQIEISA-N 1 1 164.252 1.491 10 30 ADEEMO C=CCC[N@@H+]1CC[C@@H](N(C)CC)C1 1660731362 1170945568 /nfs/dbraw/zinc/94/55/68/1170945568.db2.gz ZVFWFFOICKITKF-LLVKDONJSA-N 1 1 182.311 1.589 10 30 ADEEMO C=CCCN1CC[C@@H]([N@@H+](C)CC)C1 1660731362 1170945574 /nfs/dbraw/zinc/94/55/74/1170945574.db2.gz ZVFWFFOICKITKF-LLVKDONJSA-N 1 1 182.311 1.589 10 30 ADEEMO C=CCCN1CC[C@@H]([N@H+](C)CC)C1 1660731362 1170945578 /nfs/dbraw/zinc/94/55/78/1170945578.db2.gz ZVFWFFOICKITKF-LLVKDONJSA-N 1 1 182.311 1.589 10 30 ADEEMO C#CC1(O)C[NH+](C[C@@H](C)CC(C)C)C1 1660507095 1170945870 /nfs/dbraw/zinc/94/58/70/1170945870.db2.gz FKIWUPDFGCBURQ-NSHDSACASA-N 1 1 195.306 1.349 10 30 ADEEMO C#CC[N@H+](C)C[C@](C)(CC)OC 1660819226 1170946037 /nfs/dbraw/zinc/94/60/37/1170946037.db2.gz AFOQKZAQTMXDCR-JTQLQIEISA-N 1 1 169.268 1.367 10 30 ADEEMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)CC)C1 1660730912 1170946419 /nfs/dbraw/zinc/94/64/19/1170946419.db2.gz MPSIAASVVNAPIF-GFCCVEGCSA-N 1 1 196.338 1.979 10 30 ADEEMO C=C(C)CCN1CC[C@@H]([N@@H+](C)CC)C1 1660730912 1170946426 /nfs/dbraw/zinc/94/64/26/1170946426.db2.gz MPSIAASVVNAPIF-GFCCVEGCSA-N 1 1 196.338 1.979 10 30 ADEEMO C=C(C)CCN1CC[C@@H]([N@H+](C)CC)C1 1660730912 1170946432 /nfs/dbraw/zinc/94/64/32/1170946432.db2.gz MPSIAASVVNAPIF-GFCCVEGCSA-N 1 1 196.338 1.979 10 30 ADEEMO C#CC[N@@H+](C)Cc1c(C)ccnc1N 1660819620 1170946543 /nfs/dbraw/zinc/94/65/43/1170946543.db2.gz QAMUPHVXHFNZSJ-UHFFFAOYSA-N 1 1 189.262 1.037 10 30 ADEEMO C#CC[N@H+](C)Cc1c(C)ccnc1N 1660819620 1170946546 /nfs/dbraw/zinc/94/65/46/1170946546.db2.gz QAMUPHVXHFNZSJ-UHFFFAOYSA-N 1 1 189.262 1.037 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1CC 1660522036 1170946806 /nfs/dbraw/zinc/94/68/06/1170946806.db2.gz IAINQPHGSBBQLP-MRVPVSSYSA-N 1 1 125.215 1.657 10 30 ADEEMO C#CC1(O)C[NH+](CC2CCCCC2)C1 1660840716 1170947367 /nfs/dbraw/zinc/94/73/67/1170947367.db2.gz HPGBRZGNQLJIEP-UHFFFAOYSA-N 1 1 193.290 1.247 10 30 ADEEMO C=C(C)CC[N@@H+]1CC[C@H](N(C)CC)C1 1660730913 1170947389 /nfs/dbraw/zinc/94/73/89/1170947389.db2.gz MPSIAASVVNAPIF-LBPRGKRZSA-N 1 1 196.338 1.979 10 30 ADEEMO C=C(C)CCN1CC[C@H]([N@@H+](C)CC)C1 1660730913 1170947396 /nfs/dbraw/zinc/94/73/96/1170947396.db2.gz MPSIAASVVNAPIF-LBPRGKRZSA-N 1 1 196.338 1.979 10 30 ADEEMO C=C(C)CCN1CC[C@H]([N@H+](C)CC)C1 1660730913 1170947400 /nfs/dbraw/zinc/94/74/00/1170947400.db2.gz MPSIAASVVNAPIF-LBPRGKRZSA-N 1 1 196.338 1.979 10 30 ADEEMO C=CCC[N@@H+]1CC[C@H](N(C)CC)C1 1660731363 1170947410 /nfs/dbraw/zinc/94/74/10/1170947410.db2.gz ZVFWFFOICKITKF-NSHDSACASA-N 1 1 182.311 1.589 10 30 ADEEMO C=CCCN1CC[C@H]([N@@H+](C)CC)C1 1660731363 1170947413 /nfs/dbraw/zinc/94/74/13/1170947413.db2.gz ZVFWFFOICKITKF-NSHDSACASA-N 1 1 182.311 1.589 10 30 ADEEMO C=CCCN1CC[C@H]([N@H+](C)CC)C1 1660731363 1170947415 /nfs/dbraw/zinc/94/74/15/1170947415.db2.gz ZVFWFFOICKITKF-NSHDSACASA-N 1 1 182.311 1.589 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1CC 1660522037 1170947438 /nfs/dbraw/zinc/94/74/38/1170947438.db2.gz IAINQPHGSBBQLP-QMMMGPOBSA-N 1 1 125.215 1.657 10 30 ADEEMO C#CC[N@H+](C)C[C@H](C)CCC#N 1660819449 1170947511 /nfs/dbraw/zinc/94/75/11/1170947511.db2.gz KFBVZOQIAGURIO-SNVBAGLBSA-N 1 1 164.252 1.491 10 30 ADEEMO C#CC[N@H+](C)CC1(SC)CC1 1660819710 1170947648 /nfs/dbraw/zinc/94/76/48/1170947648.db2.gz UGNPGKNEJYVZDC-UHFFFAOYSA-N 1 1 169.293 1.447 10 30 ADEEMO C#CC1(O)C[NH+](CCC2CCCC2)C1 1660508027 1170947965 /nfs/dbraw/zinc/94/79/65/1170947965.db2.gz OUJJMLHOJPPXGS-UHFFFAOYSA-N 1 1 193.290 1.247 10 30 ADEEMO C#CC[N@@H+](C)Cc1cnn(C=C)c1 1660819789 1170948082 /nfs/dbraw/zinc/94/80/82/1170948082.db2.gz XOOOXEAQNGDIJR-UHFFFAOYSA-N 1 1 175.235 1.049 10 30 ADEEMO C#CC[N@H+](C)Cc1cnn(C=C)c1 1660819789 1170948085 /nfs/dbraw/zinc/94/80/85/1170948085.db2.gz XOOOXEAQNGDIJR-UHFFFAOYSA-N 1 1 175.235 1.049 10 30 ADEEMO C#CC1(O)C[NH+](C[C@H](C)CC(C)C)C1 1660507094 1170948101 /nfs/dbraw/zinc/94/81/01/1170948101.db2.gz FKIWUPDFGCBURQ-LLVKDONJSA-N 1 1 195.306 1.349 10 30 ADEEMO C#CC[N@H+](C)C[C@@](C)(CC)OC 1660819227 1170948403 /nfs/dbraw/zinc/94/84/03/1170948403.db2.gz AFOQKZAQTMXDCR-SNVBAGLBSA-N 1 1 169.268 1.367 10 30 ADEEMO C=C[C@@H](COC)[NH2+]Cc1cnsc1 1662276070 1170948757 /nfs/dbraw/zinc/94/87/57/1170948757.db2.gz RIWADIIOOKWSRY-VIFPVBQESA-N 1 1 198.291 1.434 10 30 ADEEMO C=C[C@H](COC)[NH2+]Cc1cnsc1 1662276055 1170950081 /nfs/dbraw/zinc/95/00/81/1170950081.db2.gz RIWADIIOOKWSRY-SECBINFHSA-N 1 1 198.291 1.434 10 30 ADEEMO C=C(C)C[N@H+](C)CCNC(=O)CCC 1663132493 1170950602 /nfs/dbraw/zinc/95/06/02/1170950602.db2.gz YSCLBICCPXSHOZ-UHFFFAOYSA-N 1 1 198.310 1.411 10 30 ADEEMO C=C(C)CC[N@H+](C)CCNC(=O)CC 1663127771 1170951647 /nfs/dbraw/zinc/95/16/47/1170951647.db2.gz AUMIZXMJPVBMGT-UHFFFAOYSA-N 1 1 198.310 1.411 10 30 ADEEMO C#CC[N@@H+](C)Cc1ccc(OC)o1 1665808584 1170953221 /nfs/dbraw/zinc/95/32/21/1170953221.db2.gz CXDLMNCCQWWZMA-UHFFFAOYSA-N 1 1 179.219 1.353 10 30 ADEEMO C#CC[N@H+](C)Cc1ccc(OC)o1 1665808584 1170953224 /nfs/dbraw/zinc/95/32/24/1170953224.db2.gz CXDLMNCCQWWZMA-UHFFFAOYSA-N 1 1 179.219 1.353 10 30 ADEEMO C#CC[N@H+](C)CC1(SC)CCC1 1665809163 1170953962 /nfs/dbraw/zinc/95/39/62/1170953962.db2.gz LJYPRAYHJZTGOC-UHFFFAOYSA-N 1 1 183.320 1.837 10 30 ADEEMO C#CC[N@H+](C)CC1(OC)CCCCC1 1665809981 1170954080 /nfs/dbraw/zinc/95/40/80/1170954080.db2.gz ZUKJPDVTPWGWDR-UHFFFAOYSA-N 1 1 195.306 1.901 10 30 ADEEMO C#CC[N@H+](C)Cc1ccn(C)c1 1665809125 1170954783 /nfs/dbraw/zinc/95/47/83/1170954783.db2.gz KFJLRKCDWHNJPL-UHFFFAOYSA-N 1 1 162.236 1.090 10 30 ADEEMO C=CCCC[N@H+](C)C[C@H](C)NC(C)=O 1669763155 1170955431 /nfs/dbraw/zinc/95/54/31/1170955431.db2.gz QQBATVFAAOTAQL-JTQLQIEISA-N 1 1 198.310 1.409 10 30 ADEEMO C=CCCC[N@H+](C)C[C@@H](C)NC(C)=O 1669763156 1170955551 /nfs/dbraw/zinc/95/55/51/1170955551.db2.gz QQBATVFAAOTAQL-SNVBAGLBSA-N 1 1 198.310 1.409 10 30 ADEEMO C=C(C)C[N@@H+](CCNC(C)=O)C1CC1 1691199925 1170960021 /nfs/dbraw/zinc/96/00/21/1170960021.db2.gz OBPJXXHFKPZFFG-UHFFFAOYSA-N 1 1 196.294 1.163 10 30 ADEEMO C=CCCCC(=O)NC1C[NH+](CC)C1 1692227465 1170960622 /nfs/dbraw/zinc/96/06/22/1170960622.db2.gz HBVKUSMKBQGGRY-UHFFFAOYSA-N 1 1 196.294 1.163 10 30 ADEEMO C=C(C)C[N@H+](C)C[C@@H](C)NC(C)=O 1699434996 1170961052 /nfs/dbraw/zinc/96/10/52/1170961052.db2.gz CMDQGDSCQYJACV-SECBINFHSA-N 1 1 184.283 1.019 10 30 ADEEMO C=C(C)C[N@H+](C)C[C@H](C)NC(C)=O 1699434997 1170961183 /nfs/dbraw/zinc/96/11/83/1170961183.db2.gz CMDQGDSCQYJACV-VIFPVBQESA-N 1 1 184.283 1.019 10 30 ADEEMO C=C(C)CC[N@@H+](CC)CCNC(C)=O 1713478624 1170962950 /nfs/dbraw/zinc/96/29/50/1170962950.db2.gz CBHWYWFRSLJBMJ-UHFFFAOYSA-N 1 1 198.310 1.411 10 30 ADEEMO C=CC[N@H+](C)[C@@H](C)CNC(=O)CC 1700449285 1170964023 /nfs/dbraw/zinc/96/40/23/1170964023.db2.gz KOHUIULPKMXVCM-VIFPVBQESA-N 1 1 184.283 1.019 10 30 ADEEMO C=CCC[N@H+](C)CCNC(=O)CC 1713442983 1170964181 /nfs/dbraw/zinc/96/41/81/1170964181.db2.gz XNEMRZVWKAUWOZ-UHFFFAOYSA-N 1 1 184.283 1.021 10 30 ADEEMO C=CC[N@H+](C)[C@H](C)CNC(=O)CC 1700449284 1170964330 /nfs/dbraw/zinc/96/43/30/1170964330.db2.gz KOHUIULPKMXVCM-SECBINFHSA-N 1 1 184.283 1.019 10 30 ADEEMO C=CC(C)(C)C(=O)NCC[N@H+](C)CC 1713463840 1170964579 /nfs/dbraw/zinc/96/45/79/1170964579.db2.gz MUFVCCIFOWNSQU-UHFFFAOYSA-N 1 1 198.310 1.267 10 30 ADEEMO C=CC[N@@H+](CCC)CCNC(=O)CC 1713543383 1170964695 /nfs/dbraw/zinc/96/46/95/1170964695.db2.gz LAMWZLWLMXUHMB-UHFFFAOYSA-N 1 1 198.310 1.411 10 30 ADEEMO C=CCC[N@@H+](CCC)CCNC(C)=O 1713543835 1170964745 /nfs/dbraw/zinc/96/47/45/1170964745.db2.gz WAIDPHHPTJYDNM-UHFFFAOYSA-N 1 1 198.310 1.411 10 30 ADEEMO C=C(C)C[N@@H+](CCC)CCNC(C)=O 1713543105 1170964890 /nfs/dbraw/zinc/96/48/90/1170964890.db2.gz DNJNSBCZACOWGX-UHFFFAOYSA-N 1 1 198.310 1.411 10 30 ADEEMO C=CC[N@@H+]1CC[C@@H](NC(=O)CCC)C1 1713080088 1170964922 /nfs/dbraw/zinc/96/49/22/1170964922.db2.gz QWGJFJRDFKNENL-SNVBAGLBSA-N 1 1 196.294 1.163 10 30 ADEEMO C=CCCC(=O)NC[C@H](C)[N@H+](C)CC 1700452223 1170965222 /nfs/dbraw/zinc/96/52/22/1170965222.db2.gz OCTBNPQGVDCEQK-JTQLQIEISA-N 1 1 198.310 1.409 10 30 ADEEMO C=CCCC(=O)NC[C@@H](C)[N@H+](C)CC 1700452224 1170965247 /nfs/dbraw/zinc/96/52/47/1170965247.db2.gz OCTBNPQGVDCEQK-SNVBAGLBSA-N 1 1 198.310 1.409 10 30 ADEEMO C=C(C)C[N@H+](C)CCNC(=O)CC 1713442029 1170965382 /nfs/dbraw/zinc/96/53/82/1170965382.db2.gz DEVBBWSSTCOYBW-UHFFFAOYSA-N 1 1 184.283 1.021 10 30 ADEEMO C=CCC[N@@H+](CC)CCNC(C)=O 1714578185 1170966761 /nfs/dbraw/zinc/96/67/61/1170966761.db2.gz RJCZWIDXFOSTRO-UHFFFAOYSA-N 1 1 184.283 1.021 10 30 ADEEMO C=CCC[N@@H+](C)CCNC(=O)C1CC1 1714534826 1170967183 /nfs/dbraw/zinc/96/71/83/1170967183.db2.gz YCRHAQGLKBOVCV-UHFFFAOYSA-N 1 1 196.294 1.021 10 30 ADEEMO C=C(C)C[N@@H+](C)CCNC(=O)C1CC1 1714531880 1170967306 /nfs/dbraw/zinc/96/73/06/1170967306.db2.gz MAEWEGAXBHXDII-UHFFFAOYSA-N 1 1 196.294 1.021 10 30 ADEEMO C=C(C)C[N@@H+](CC)CCNC(=O)CC 1714577969 1170967679 /nfs/dbraw/zinc/96/76/79/1170967679.db2.gz PEFROUZHPNUDBV-UHFFFAOYSA-N 1 1 198.310 1.411 10 30 ADEEMO C=C(C)CCC(=O)NC1C[NH+](CC)C1 1714935617 1170968179 /nfs/dbraw/zinc/96/81/79/1170968179.db2.gz CMAZKIOZNAWXKA-UHFFFAOYSA-N 1 1 196.294 1.163 10 30 ADEEMO C=CCC[N@@H+](CC)CCNC(=O)CC 1714579414 1170968338 /nfs/dbraw/zinc/96/83/38/1170968338.db2.gz ZYPLGHAZTSSVNV-UHFFFAOYSA-N 1 1 198.310 1.411 10 30 ADEEMO C=CC[N@H+](C)CCN(C)C(=O)CCC 1715510867 1170968419 /nfs/dbraw/zinc/96/84/19/1170968419.db2.gz ZHYGLKCZFROYFE-UHFFFAOYSA-N 1 1 198.310 1.363 10 30 ADEEMO C=CCC[N@H+](C)[C@H](C)CNC(C)=O 1725149593 1170969126 /nfs/dbraw/zinc/96/91/26/1170969126.db2.gz DMMSZZLYVANJSX-SECBINFHSA-N 1 1 184.283 1.019 10 30 ADEEMO C=CC[N@H+](C)[C@H](C)CNC(=O)CCC 1725158357 1170969176 /nfs/dbraw/zinc/96/91/76/1170969176.db2.gz SDQYZKLVWVMNLS-SNVBAGLBSA-N 1 1 198.310 1.409 10 30 ADEEMO C=CC[N@H+](C)[C@@H](C)CNC(=O)CCC 1725158354 1170969340 /nfs/dbraw/zinc/96/93/40/1170969340.db2.gz SDQYZKLVWVMNLS-JTQLQIEISA-N 1 1 198.310 1.409 10 30 ADEEMO C=CC[N@H+](C)[C@H](C)CNC(=O)C1CC1 1717460767 1170969985 /nfs/dbraw/zinc/96/99/85/1170969985.db2.gz BCKGKVRVNYUEKK-SECBINFHSA-N 1 1 196.294 1.019 10 30 ADEEMO C=CCC[N@H+](C)[C@@H](C)CNC(C)=O 1725149631 1170970005 /nfs/dbraw/zinc/97/00/05/1170970005.db2.gz DMMSZZLYVANJSX-VIFPVBQESA-N 1 1 184.283 1.019 10 30 ADEEMO C=C(C)CC[N@H+](C)C[C@@H](C)NC(C)=O 1716467070 1170970290 /nfs/dbraw/zinc/97/02/90/1170970290.db2.gz ISIFYMVOFWKGKL-SNVBAGLBSA-N 1 1 198.310 1.409 10 30 ADEEMO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)CC 1725149299 1170970608 /nfs/dbraw/zinc/97/06/08/1170970608.db2.gz BPSCGNNIDGADIY-JTQLQIEISA-N 1 1 198.310 1.409 10 30 ADEEMO C=CCC[N@H+](C)CCCN(C)C(C)=O 1724837845 1170970769 /nfs/dbraw/zinc/97/07/69/1170970769.db2.gz BTVKQIWYDLMIGB-UHFFFAOYSA-N 1 1 198.310 1.363 10 30 ADEEMO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)CC 1725149300 1170970855 /nfs/dbraw/zinc/97/08/55/1170970855.db2.gz BPSCGNNIDGADIY-SNVBAGLBSA-N 1 1 198.310 1.409 10 30 ADEEMO C=C(C)CC[N@H+](C)C[C@H](C)NC(C)=O 1716467069 1170970910 /nfs/dbraw/zinc/97/09/10/1170970910.db2.gz ISIFYMVOFWKGKL-JTQLQIEISA-N 1 1 198.310 1.409 10 30 ADEEMO C=CC[N@H+](C)[C@@H](C)CNC(=O)C1CC1 1717460768 1170971182 /nfs/dbraw/zinc/97/11/82/1170971182.db2.gz BCKGKVRVNYUEKK-VIFPVBQESA-N 1 1 196.294 1.019 10 30 ADEEMO C=CCCC(=O)N(C)C1C[NH+](CC)C1 1723742264 1170971434 /nfs/dbraw/zinc/97/14/34/1170971434.db2.gz XWLWXRVGWJZMHO-UHFFFAOYSA-N 1 1 196.294 1.115 10 30 ADEEMO C=C(C)CCC(=O)NCC[N@H+](C)CC 1731772215 1170973039 /nfs/dbraw/zinc/97/30/39/1170973039.db2.gz GHHFHVKAFASQPU-UHFFFAOYSA-N 1 1 198.310 1.411 10 30 ADEEMO C=CC[N@H+](C)CCNC(=O)/C(C)=C\C 1731768010 1170973136 /nfs/dbraw/zinc/97/31/36/1170973136.db2.gz ZKPWOJFAEGCKPK-POHAHGRESA-N 1 1 196.294 1.187 10 30 ADEEMO C=CC[N@H+](C)CCNC(=O)/C(C)=C/C 1731768011 1170973507 /nfs/dbraw/zinc/97/35/07/1170973507.db2.gz ZKPWOJFAEGCKPK-UXBLZVDNSA-N 1 1 196.294 1.187 10 30 ADEEMO C=CCCC(=O)NCC[N@H+](C)CC=C 1731766353 1170973952 /nfs/dbraw/zinc/97/39/52/1170973952.db2.gz QOWCAMPMPACIFI-UHFFFAOYSA-N 1 1 196.294 1.187 10 30 ADEEMO C=CC[N@@H+](C)CCNC(=O)CC1CC1 1731759824 1170974355 /nfs/dbraw/zinc/97/43/55/1170974355.db2.gz YYPTUQHZVDHTMI-UHFFFAOYSA-N 1 1 196.294 1.021 10 30 ADEEMO CC[C@](C)(C=O)C[N@H+]1CCO[C@H](C)C1 51175489 571673372 /nfs/dbraw/zinc/67/33/72/571673372.db2.gz SMQMWDZXLMNOCR-MNOVXSKESA-N 1 1 199.294 1.322 10 30 ADEEMO C=CCC[N@@H+]1CCC[C@H](C(C)=O)C1 70592577 571673463 /nfs/dbraw/zinc/67/34/63/571673463.db2.gz IOQHMXLLXMFZRI-NSHDSACASA-N 1 1 181.279 1.864 10 30 ADEEMO CC[C@@H](C)[N@@H+](C)C[C@]1(C=O)CCOC1 51176331 571672432 /nfs/dbraw/zinc/67/24/32/571672432.db2.gz HPTNITXFKOTFIH-MNOVXSKESA-N 1 1 199.294 1.322 10 30 ADEEMO CC[C@@](C)(C=O)C[N@H+]1CC[C@H](C)C1 51177639 571672548 /nfs/dbraw/zinc/67/25/48/571672548.db2.gz GEBMVCZWDFPHMF-WDEREUQCSA-N 1 1 183.295 1.943 10 30 ADEEMO C=CCCC[NH2+][C@@H](C)C(=O)OC 70591965 571673294 /nfs/dbraw/zinc/67/32/94/571673294.db2.gz YYVDVYXYTDLYGT-QMMMGPOBSA-N 1 1 171.240 1.104 10 30 ADEEMO C=CCC[NH2+][C@@H]1CCN2CCCC[C@H]12 70592047 571673368 /nfs/dbraw/zinc/67/33/68/571673368.db2.gz HLZZUPATRZMMEP-VXGBXAGGSA-N 1 1 194.322 1.779 10 30 ADEEMO C=CCCC[NH2+]C[C@H]1CCCN(C)C1 70592108 571673490 /nfs/dbraw/zinc/67/34/90/571673490.db2.gz DABNAZLKNWNDEZ-GFCCVEGCSA-N 1 1 196.338 1.884 10 30 ADEEMO C=CCCCN1[C@@H](C)C[NH2+]C[C@@H]1C 70593344 571673584 /nfs/dbraw/zinc/67/35/84/571673584.db2.gz CKJFMBJYPYJCGT-QWRGUYRKSA-N 1 1 182.311 1.635 10 30 ADEEMO C=CCC[NH2+][C@@H](C)CCN(C)C 70592043 571673669 /nfs/dbraw/zinc/67/36/69/571673669.db2.gz QCQIYXYUGAQGFI-JTQLQIEISA-N 1 1 170.300 1.492 10 30 ADEEMO C=CCC[N@H+]1[C@H](C)CCC[C@@H]1CN 70593361 571673801 /nfs/dbraw/zinc/67/38/01/571673801.db2.gz RBORFGLAWVQCNH-GHMZBOCLSA-N 1 1 182.311 1.764 10 30 ADEEMO C=CCC[NH2+][C@H](CC(C)C)C(=O)OC 70592094 571673846 /nfs/dbraw/zinc/67/38/46/571673846.db2.gz PBGIUTJOTXVIDB-SNVBAGLBSA-N 1 1 199.294 1.740 10 30 ADEEMO CC[C@](C)(C=O)C[N@H+]1CC[C@H](C)C1 51177637 571673879 /nfs/dbraw/zinc/67/38/79/571673879.db2.gz GEBMVCZWDFPHMF-QWRGUYRKSA-N 1 1 183.295 1.943 10 30 ADEEMO C=CCC[N@@H+]1CCC[C@@H](C(C)=O)C1 70592576 571673946 /nfs/dbraw/zinc/67/39/46/571673946.db2.gz IOQHMXLLXMFZRI-LLVKDONJSA-N 1 1 181.279 1.864 10 30 ADEEMO C=CCC[N@H+]1[C@@H](C)CCC[C@H]1CN 70593364 571674783 /nfs/dbraw/zinc/67/47/83/571674783.db2.gz RBORFGLAWVQCNH-QWRGUYRKSA-N 1 1 182.311 1.764 10 30 ADEEMO C=CCCC[NH2+]C[C@@H]1CCCN(C)C1 70592109 571674033 /nfs/dbraw/zinc/67/40/33/571674033.db2.gz DABNAZLKNWNDEZ-LBPRGKRZSA-N 1 1 196.338 1.884 10 30 ADEEMO C=CCCCN1CC[C@@H](C)[C@@H]([NH3+])C1 70593349 571674189 /nfs/dbraw/zinc/67/41/89/571674189.db2.gz GPHQDKLPVWFGKM-MNOVXSKESA-N 1 1 182.311 1.622 10 30 ADEEMO C=CCCC[N@H+]1CC[C@@H](C)[C@@H](N)C1 70593349 571674193 /nfs/dbraw/zinc/67/41/93/571674193.db2.gz GPHQDKLPVWFGKM-MNOVXSKESA-N 1 1 182.311 1.622 10 30 ADEEMO C=CCCC[N@@H+]1CC[C@@H](C)[C@@H](N)C1 70593349 571674197 /nfs/dbraw/zinc/67/41/97/571674197.db2.gz GPHQDKLPVWFGKM-MNOVXSKESA-N 1 1 182.311 1.622 10 30 ADEEMO C=CCCC[NH2+][C@@H](C)CCN(C)C 70592045 571674927 /nfs/dbraw/zinc/67/49/27/571674927.db2.gz YGPXZZRDOFZJEO-NSHDSACASA-N 1 1 184.327 1.882 10 30 ADEEMO C=CCC[NH2+][C@H](C)CCN(C)C 70592044 571674383 /nfs/dbraw/zinc/67/43/83/571674383.db2.gz QCQIYXYUGAQGFI-SNVBAGLBSA-N 1 1 170.300 1.492 10 30 ADEEMO C=CCC[N@@H+](CC)[C@H]1CCCNC1 70593332 571674392 /nfs/dbraw/zinc/67/43/92/571674392.db2.gz GWBIBZJIOBGVPP-NSHDSACASA-N 1 1 182.311 1.636 10 30 ADEEMO C=CCC[N@H+](CC)[C@H]1CCCNC1 70593332 571674394 /nfs/dbraw/zinc/67/43/94/571674394.db2.gz GWBIBZJIOBGVPP-NSHDSACASA-N 1 1 182.311 1.636 10 30 ADEEMO CC[C@H](C)[N@@H+](C)C[C@]1(C=O)CCOC1 51176333 571674431 /nfs/dbraw/zinc/67/44/31/571674431.db2.gz HPTNITXFKOTFIH-QWRGUYRKSA-N 1 1 199.294 1.322 10 30 ADEEMO C=CCC[NH2+][C@H]1CCN2CCCC[C@H]12 70592048 571674493 /nfs/dbraw/zinc/67/44/93/571674493.db2.gz HLZZUPATRZMMEP-NWDGAFQWSA-N 1 1 194.322 1.779 10 30 ADEEMO C=CCCC[NH2+][C@H](C)C(=O)OCC 70591969 571674643 /nfs/dbraw/zinc/67/46/43/571674643.db2.gz WOQGUIHPRFQKHS-SECBINFHSA-N 1 1 185.267 1.494 10 30 ADEEMO C=CCCC[NH2+][C@@H](C)C(=O)OCC 70591970 571674675 /nfs/dbraw/zinc/67/46/75/571674675.db2.gz WOQGUIHPRFQKHS-VIFPVBQESA-N 1 1 185.267 1.494 10 30 ADEEMO C=CCC[N@@H+](CCC#N)C1CC1 70592542 571674711 /nfs/dbraw/zinc/67/47/11/571674711.db2.gz DKTZESDSBLGXCJ-UHFFFAOYSA-N 1 1 164.252 1.941 10 30 ADEEMO C=CCC[N@@H+](CC)C1CCNCC1 70593209 571674831 /nfs/dbraw/zinc/67/48/31/571674831.db2.gz QVSJSKWKFLVPHM-UHFFFAOYSA-N 1 1 182.311 1.636 10 30 ADEEMO C=CCC[N@H+](CC)C1CCNCC1 70593209 571674833 /nfs/dbraw/zinc/67/48/33/571674833.db2.gz QVSJSKWKFLVPHM-UHFFFAOYSA-N 1 1 182.311 1.636 10 30 ADEEMO C=CCC[N@@H+](CC)[C@@H]1CCCNC1 70593331 571674881 /nfs/dbraw/zinc/67/48/81/571674881.db2.gz GWBIBZJIOBGVPP-LLVKDONJSA-N 1 1 182.311 1.636 10 30 ADEEMO C=CCC[N@H+](CC)[C@@H]1CCCNC1 70593331 571674882 /nfs/dbraw/zinc/67/48/82/571674882.db2.gz GWBIBZJIOBGVPP-LLVKDONJSA-N 1 1 182.311 1.636 10 30 ADEEMO C=CCC[NH2+]C[C@@H]1CCCN(C)C1 70592107 571674953 /nfs/dbraw/zinc/67/49/53/571674953.db2.gz ZSCBVYQEYGSGRU-NSHDSACASA-N 1 1 182.311 1.494 10 30 ADEEMO C=CCCCN1CC[C@H](C)[C@@H]([NH3+])C1 70593350 571675118 /nfs/dbraw/zinc/67/51/18/571675118.db2.gz GPHQDKLPVWFGKM-QWRGUYRKSA-N 1 1 182.311 1.622 10 30 ADEEMO C=CCCC[N@H+]1CC[C@H](C)[C@@H](N)C1 70593350 571675119 /nfs/dbraw/zinc/67/51/19/571675119.db2.gz GPHQDKLPVWFGKM-QWRGUYRKSA-N 1 1 182.311 1.622 10 30 ADEEMO C=CCCC[N@@H+]1CC[C@H](C)[C@@H](N)C1 70593350 571675120 /nfs/dbraw/zinc/67/51/20/571675120.db2.gz GPHQDKLPVWFGKM-QWRGUYRKSA-N 1 1 182.311 1.622 10 30 ADEEMO C=C[C@@H](C)[NH2+]C[C@@H]1CCCCN1 235223070 571675194 /nfs/dbraw/zinc/67/51/94/571675194.db2.gz SAWVAUIUBBIDSM-ZJUUUORDSA-N 1 1 168.284 1.293 10 30 ADEEMO O=CC[C@@H]1CC[N@H+]1CCC(F)(F)F 213824391 571675269 /nfs/dbraw/zinc/67/52/69/571675269.db2.gz ZGWWPHKUYJGQCS-ZETCQYMHSA-N 1 1 195.184 1.602 10 30 ADEEMO O=CC[C@@H]1CC[N@@H+]1CCC(F)(F)F 213824391 571675272 /nfs/dbraw/zinc/67/52/72/571675272.db2.gz ZGWWPHKUYJGQCS-ZETCQYMHSA-N 1 1 195.184 1.602 10 30 ADEEMO C=CCCC[NH2+][C@H](C)CCN(C)C 70592046 571675402 /nfs/dbraw/zinc/67/54/02/571675402.db2.gz YGPXZZRDOFZJEO-LLVKDONJSA-N 1 1 184.327 1.882 10 30 ADEEMO C=CCCCN1[C@H](C)C[NH2+]C[C@H]1C 70593345 571675407 /nfs/dbraw/zinc/67/54/07/571675407.db2.gz CKJFMBJYPYJCGT-GHMZBOCLSA-N 1 1 182.311 1.635 10 30 ADEEMO C=CCCC[NH2+][C@H](C)C(=O)OC 70591966 571675414 /nfs/dbraw/zinc/67/54/14/571675414.db2.gz YYVDVYXYTDLYGT-MRVPVSSYSA-N 1 1 171.240 1.104 10 30 ADEEMO C=CCC[N@H+]1[C@@H](C)CCC[C@@H]1CN 70593362 571675457 /nfs/dbraw/zinc/67/54/57/571675457.db2.gz RBORFGLAWVQCNH-WDEREUQCSA-N 1 1 182.311 1.764 10 30 ADEEMO C=CCC[NH2+]C[C@H]1CCCN(C)C1 70592106 571675533 /nfs/dbraw/zinc/67/55/33/571675533.db2.gz ZSCBVYQEYGSGRU-LLVKDONJSA-N 1 1 182.311 1.494 10 30 ADEEMO C=CCC[N@@H+]1[C@H](CN)CCC[C@H]1C 70593363 571675724 /nfs/dbraw/zinc/67/57/24/571675724.db2.gz RBORFGLAWVQCNH-MNOVXSKESA-N 1 1 182.311 1.764 10 30 ADEEMO C[C@H](CC#N)[N@H+]1CCC[C@H](CCO)C1 51896861 571675878 /nfs/dbraw/zinc/67/58/78/571675878.db2.gz GEVWZOLCRKYTCW-GHMZBOCLSA-N 1 1 196.294 1.383 10 30 ADEEMO O=CC[C@H]1CC[N@H+]1CCC(F)(F)F 213824447 571675941 /nfs/dbraw/zinc/67/59/41/571675941.db2.gz ZGWWPHKUYJGQCS-SSDOTTSWSA-N 1 1 195.184 1.602 10 30 ADEEMO O=CC[C@H]1CC[N@@H+]1CCC(F)(F)F 213824447 571675942 /nfs/dbraw/zinc/67/59/42/571675942.db2.gz ZGWWPHKUYJGQCS-SSDOTTSWSA-N 1 1 195.184 1.602 10 30 ADEEMO C[C@@H](CC#N)[N@H+]1CCC[C@H](CCO)C1 51896859 571676052 /nfs/dbraw/zinc/67/60/52/571676052.db2.gz GEVWZOLCRKYTCW-WDEREUQCSA-N 1 1 196.294 1.383 10 30 ADEEMO C[C@H](C#N)C[N@H+]1CCC[C@H](CCO)C1 51896754 571676697 /nfs/dbraw/zinc/67/66/97/571676697.db2.gz OQKWRBCAMHRAIS-GHMZBOCLSA-N 1 1 196.294 1.240 10 30 ADEEMO O=CCC1C[NH+](CCC(F)(F)F)C1 213824302 571676393 /nfs/dbraw/zinc/67/63/93/571676393.db2.gz SPGKKEIPIGZPPA-UHFFFAOYSA-N 1 1 195.184 1.460 10 30 ADEEMO C#CC[N@H+](C)C[C@H](C)C(F)(F)F 393377971 571676500 /nfs/dbraw/zinc/67/65/00/571676500.db2.gz YSSSKLFLXPOHAP-ZETCQYMHSA-N 1 1 179.185 1.750 10 30 ADEEMO O=C[C@@H]1CC[N@H+](CCC(F)(F)F)C1 213823724 571676562 /nfs/dbraw/zinc/67/65/62/571676562.db2.gz UDASRTASRWLLDJ-SSDOTTSWSA-N 1 1 195.184 1.460 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCC[C@H](CCO)C1 52144861 571677797 /nfs/dbraw/zinc/67/77/97/571677797.db2.gz HHMRCXHRIJJPIL-GHMZBOCLSA-N 1 1 183.295 1.655 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCC[C@H](CCO)C1 52144858 571678205 /nfs/dbraw/zinc/67/82/05/571678205.db2.gz HHMRCXHRIJJPIL-WDEREUQCSA-N 1 1 183.295 1.655 10 30 ADEEMO C=C[C@H](C)N1CCC[C@H](C[NH2+]C)C1 52143841 571678735 /nfs/dbraw/zinc/67/87/35/571678735.db2.gz HGRYVJYNWBVBTR-WDEREUQCSA-N 1 1 182.311 1.492 10 30 ADEEMO C=CCC[N@@H+]1CCC[C@H]1C(=O)OCC 70595427 571678845 /nfs/dbraw/zinc/67/88/45/571678845.db2.gz VQVCVSIEMVMZHI-JTQLQIEISA-N 1 1 197.278 1.590 10 30 ADEEMO C#CC[N@H+](C)C[C@@H](C)C(F)(F)F 393377970 571678907 /nfs/dbraw/zinc/67/89/07/571678907.db2.gz YSSSKLFLXPOHAP-SSDOTTSWSA-N 1 1 179.185 1.750 10 30 ADEEMO C=CCC[N@H+](CCO)C1CCCC1 70595486 571678930 /nfs/dbraw/zinc/67/89/30/571678930.db2.gz QZTPVXJKRSXLOY-UHFFFAOYSA-N 1 1 183.295 1.799 10 30 ADEEMO C=C[C@@H](C)N1CCC[C@H](C[NH2+]C)C1 52143844 571678950 /nfs/dbraw/zinc/67/89/50/571678950.db2.gz HGRYVJYNWBVBTR-GHMZBOCLSA-N 1 1 182.311 1.492 10 30 ADEEMO C[C@@H](C#N)C[N@H+]1CCC[C@H](CCO)C1 51896756 571679081 /nfs/dbraw/zinc/67/90/81/571679081.db2.gz OQKWRBCAMHRAIS-WDEREUQCSA-N 1 1 196.294 1.240 10 30 ADEEMO C=CCNCC[N@H+]1CC[C@H](C)C[C@H]1C 53387229 571680828 /nfs/dbraw/zinc/68/08/28/571680828.db2.gz GVQWXPKCLUNDPA-NWDGAFQWSA-N 1 1 196.338 1.882 10 30 ADEEMO C=CCNCC[N@@H+]1CC[C@H](C)C[C@H]1C 53387229 571680831 /nfs/dbraw/zinc/68/08/31/571680831.db2.gz GVQWXPKCLUNDPA-NWDGAFQWSA-N 1 1 196.338 1.882 10 30 ADEEMO C=CCC[N@@H+](CC)CC(=O)OC 70595433 571679506 /nfs/dbraw/zinc/67/95/06/571679506.db2.gz MZAWPMKCJLFBEL-UHFFFAOYSA-N 1 1 171.240 1.057 10 30 ADEEMO C=CCC[N@H+](CC)CC(=O)OC 70595433 571679509 /nfs/dbraw/zinc/67/95/09/571679509.db2.gz MZAWPMKCJLFBEL-UHFFFAOYSA-N 1 1 171.240 1.057 10 30 ADEEMO C=CCC[N@H+]1CCCC[C@H]1C=O 70595674 571679822 /nfs/dbraw/zinc/67/98/22/571679822.db2.gz LAZPBUFDWSMGPL-JTQLQIEISA-N 1 1 167.252 1.616 10 30 ADEEMO C=CCCC[N@H+]1CCC[C@H](C=O)C1 70595671 571679856 /nfs/dbraw/zinc/67/98/56/571679856.db2.gz FXANQAJTCICXMN-NSHDSACASA-N 1 1 181.279 1.864 10 30 ADEEMO C=CCCC[N@H+]1CCC[C@@H](C=O)C1 70595672 571679871 /nfs/dbraw/zinc/67/98/71/571679871.db2.gz FXANQAJTCICXMN-LLVKDONJSA-N 1 1 181.279 1.864 10 30 ADEEMO C=CCCC[N@H+]1[C@H]2CC[C@@H]1CC(O)C2 70595523 571680000 /nfs/dbraw/zinc/68/00/00/571680000.db2.gz RGQCFGGWQGYWQX-FOSCPWQOSA-N 1 1 195.306 1.940 10 30 ADEEMO C=CCC[N@H+](CCCO)C(C)C 70595478 571680030 /nfs/dbraw/zinc/68/00/30/571680030.db2.gz WNEYZBSBVLVMBK-UHFFFAOYSA-N 1 1 171.284 1.655 10 30 ADEEMO CCC[N@@H+](CC)C[C@@H]1CO1 37095014 571680062 /nfs/dbraw/zinc/68/00/62/571680062.db2.gz OAKPSSRZDHKRTL-MRVPVSSYSA-N 1 1 143.230 1.117 10 30 ADEEMO C=CCCC[N@H+](CC)CC(=O)OC 70595434 571680239 /nfs/dbraw/zinc/68/02/39/571680239.db2.gz HLHKRXZAHZIZMF-UHFFFAOYSA-N 1 1 185.267 1.448 10 30 ADEEMO C=CCNCC[N@H+]1CC[C@@H](C)C[C@H]1C 53387225 571680294 /nfs/dbraw/zinc/68/02/94/571680294.db2.gz GVQWXPKCLUNDPA-VXGBXAGGSA-N 1 1 196.338 1.882 10 30 ADEEMO C=CCNCC[N@@H+]1CC[C@@H](C)C[C@H]1C 53387225 571680295 /nfs/dbraw/zinc/68/02/95/571680295.db2.gz GVQWXPKCLUNDPA-VXGBXAGGSA-N 1 1 196.338 1.882 10 30 ADEEMO CCC[N@@H+](CC)C[C@H]1CO1 37095015 571680331 /nfs/dbraw/zinc/68/03/31/571680331.db2.gz OAKPSSRZDHKRTL-QMMMGPOBSA-N 1 1 143.230 1.117 10 30 ADEEMO C=CCC[N@H+]1[C@H]2CC[C@@H]1CC(O)C2 70595524 571680428 /nfs/dbraw/zinc/68/04/28/571680428.db2.gz BQIXROCRUNCZEQ-ZACCUICWSA-N 1 1 181.279 1.550 10 30 ADEEMO C=CCC[N@H+]1CCCC[C@@H]1C=O 70595673 571680620 /nfs/dbraw/zinc/68/06/20/571680620.db2.gz LAZPBUFDWSMGPL-SNVBAGLBSA-N 1 1 167.252 1.616 10 30 ADEEMO C=CCC[N@H+]1CCC[C@@H](C=O)C1 70595670 571680634 /nfs/dbraw/zinc/68/06/34/571680634.db2.gz DLCHFIABDGLZSH-SNVBAGLBSA-N 1 1 167.252 1.473 10 30 ADEEMO C#CCNC[C@H](C)[N@H+]1CCCC[C@H]1C 53486112 571681302 /nfs/dbraw/zinc/68/13/02/571681302.db2.gz CUFSXGICLLQAER-NEPJUHHUSA-N 1 1 194.322 1.472 10 30 ADEEMO C#CCNCC[N@@H+]1CC[C@H](C)C[C@H]1C 53387326 571680733 /nfs/dbraw/zinc/68/07/33/571680733.db2.gz PZMRQMBOIHGVAJ-NWDGAFQWSA-N 1 1 194.322 1.330 10 30 ADEEMO C#CC[NH2+]CCN1CC[C@H](C)C[C@H]1C 53387326 571680734 /nfs/dbraw/zinc/68/07/34/571680734.db2.gz PZMRQMBOIHGVAJ-NWDGAFQWSA-N 1 1 194.322 1.330 10 30 ADEEMO C#CC[NH2+]C[C@H](C)N1CCCC[C@H]1C 53486112 571681304 /nfs/dbraw/zinc/68/13/04/571681304.db2.gz CUFSXGICLLQAER-NEPJUHHUSA-N 1 1 194.322 1.472 10 30 ADEEMO CN(CCCC#N)[C@@H]1CCC[N@@H+](C)C1 53245238 571681120 /nfs/dbraw/zinc/68/11/20/571681120.db2.gz YNZMNJWNPFKPRS-LLVKDONJSA-N 1 1 195.310 1.316 10 30 ADEEMO CN1CCC[C@@H]([N@H+](C)CCCC#N)C1 53245238 571681123 /nfs/dbraw/zinc/68/11/23/571681123.db2.gz YNZMNJWNPFKPRS-LLVKDONJSA-N 1 1 195.310 1.316 10 30 ADEEMO CN1CCC[C@@H]([N@@H+](C)CCCC#N)C1 53245238 571681126 /nfs/dbraw/zinc/68/11/26/571681126.db2.gz YNZMNJWNPFKPRS-LLVKDONJSA-N 1 1 195.310 1.316 10 30 ADEEMO C=CCNCC[N@H+]1CCC[C@H](C)[C@H]1C 53387000 571681215 /nfs/dbraw/zinc/68/12/15/571681215.db2.gz PGIUGHZKFAIGAL-NWDGAFQWSA-N 1 1 196.338 1.882 10 30 ADEEMO C=CCNCC[N@@H+]1CCC[C@H](C)[C@H]1C 53387000 571681219 /nfs/dbraw/zinc/68/12/19/571681219.db2.gz PGIUGHZKFAIGAL-NWDGAFQWSA-N 1 1 196.338 1.882 10 30 ADEEMO C=CCNCC[N@H+]1CCC[C@@H](C)[C@H]1C 53386998 571681242 /nfs/dbraw/zinc/68/12/42/571681242.db2.gz PGIUGHZKFAIGAL-VXGBXAGGSA-N 1 1 196.338 1.882 10 30 ADEEMO C=CCNCC[N@@H+]1CCC[C@@H](C)[C@H]1C 53386998 571681244 /nfs/dbraw/zinc/68/12/44/571681244.db2.gz PGIUGHZKFAIGAL-VXGBXAGGSA-N 1 1 196.338 1.882 10 30 ADEEMO C=CCNC[C@H](C)[N@@H+]1CC[C@H](C)C1 53494257 571681373 /nfs/dbraw/zinc/68/13/73/571681373.db2.gz GTTJCHISAHHGIL-QWRGUYRKSA-N 1 1 182.311 1.492 10 30 ADEEMO C=CCNC[C@H](C)[N@H+]1CC[C@H](C)C1 53494257 571681377 /nfs/dbraw/zinc/68/13/77/571681377.db2.gz GTTJCHISAHHGIL-QWRGUYRKSA-N 1 1 182.311 1.492 10 30 ADEEMO C#CCNC[C@H](C)[N@H+](CC)[C@H](C)CC 53489926 571681445 /nfs/dbraw/zinc/68/14/45/571681445.db2.gz LSAARXAEYQXMKC-NEPJUHHUSA-N 1 1 196.338 1.718 10 30 ADEEMO C#CCNC[C@H](C)[N@H+](C)[C@H](C)C(C)C 53491977 571681858 /nfs/dbraw/zinc/68/18/58/571681858.db2.gz ZNLNENPWTYJQNE-NWDGAFQWSA-N 1 1 196.338 1.574 10 30 ADEEMO C#CCNCC[N@@H+]1CCC[C@H](C)[C@H]1C 53387095 571682076 /nfs/dbraw/zinc/68/20/76/571682076.db2.gz GSFUVFCXJWXDOO-NWDGAFQWSA-N 1 1 194.322 1.330 10 30 ADEEMO C#CC[NH2+]CCN1CCC[C@H](C)[C@H]1C 53387095 571682086 /nfs/dbraw/zinc/68/20/86/571682086.db2.gz GSFUVFCXJWXDOO-NWDGAFQWSA-N 1 1 194.322 1.330 10 30 ADEEMO CN(CCCC#N)[C@H]1CCC[N@@H+](C)C1 53245237 571682237 /nfs/dbraw/zinc/68/22/37/571682237.db2.gz YNZMNJWNPFKPRS-NSHDSACASA-N 1 1 195.310 1.316 10 30 ADEEMO CN1CCC[C@H]([N@H+](C)CCCC#N)C1 53245237 571682241 /nfs/dbraw/zinc/68/22/41/571682241.db2.gz YNZMNJWNPFKPRS-NSHDSACASA-N 1 1 195.310 1.316 10 30 ADEEMO CN1CCC[C@H]([N@@H+](C)CCCC#N)C1 53245237 571682245 /nfs/dbraw/zinc/68/22/45/571682245.db2.gz YNZMNJWNPFKPRS-NSHDSACASA-N 1 1 195.310 1.316 10 30 ADEEMO C#CCNC[C@H](C)[N@H+](C)[C@H](C)CC 53489843 571682693 /nfs/dbraw/zinc/68/26/93/571682693.db2.gz HDXAHIXFWHLTAL-MNOVXSKESA-N 1 1 182.311 1.328 10 30 ADEEMO C#CC[NH2+]C[C@H](C)N(C)[C@H](C)CC 53489843 571682696 /nfs/dbraw/zinc/68/26/96/571682696.db2.gz HDXAHIXFWHLTAL-MNOVXSKESA-N 1 1 182.311 1.328 10 30 ADEEMO C=CCNC[C@H](C)[N@@H+](C)[C@H](C)CC 53489789 571682978 /nfs/dbraw/zinc/68/29/78/571682978.db2.gz IAEWBRNJGRTALL-MNOVXSKESA-N 1 1 184.327 1.881 10 30 ADEEMO C=CCNC[C@H](C)[N@H+](C)[C@H](C)CC 53489789 571682983 /nfs/dbraw/zinc/68/29/83/571682983.db2.gz IAEWBRNJGRTALL-MNOVXSKESA-N 1 1 184.327 1.881 10 30 ADEEMO C#CCNCC[N@@H+]1CC[C@@H](C)C[C@H]1C 53387324 571683138 /nfs/dbraw/zinc/68/31/38/571683138.db2.gz PZMRQMBOIHGVAJ-VXGBXAGGSA-N 1 1 194.322 1.330 10 30 ADEEMO C#CC[NH2+]CCN1CC[C@@H](C)C[C@H]1C 53387324 571683142 /nfs/dbraw/zinc/68/31/42/571683142.db2.gz PZMRQMBOIHGVAJ-VXGBXAGGSA-N 1 1 194.322 1.330 10 30 ADEEMO C#CCNC[C@H](C)[N@H+]1CCC[C@H](C)C1 53486474 571683269 /nfs/dbraw/zinc/68/32/69/571683269.db2.gz VWJOKSMXYGXAKO-RYUDHWBXSA-N 1 1 194.322 1.330 10 30 ADEEMO C#CC[NH2+]C[C@H](C)N1CCC[C@H](C)C1 53486474 571683270 /nfs/dbraw/zinc/68/32/70/571683270.db2.gz VWJOKSMXYGXAKO-RYUDHWBXSA-N 1 1 194.322 1.330 10 30 ADEEMO C[N@H+]1CCC[C@H]([C@@H](C#N)C2CC2)C1 213932918 571683386 /nfs/dbraw/zinc/68/33/86/571683386.db2.gz AWPFXUTYGJOWJB-QWRGUYRKSA-N 1 1 178.279 1.878 10 30 ADEEMO C[N@H+]1CC[C@@H]([C@@H](C#N)C2CCC2)C1 213933130 571683409 /nfs/dbraw/zinc/68/34/09/571683409.db2.gz XYEVFNVQYPREQL-MNOVXSKESA-N 1 1 178.279 1.878 10 30 ADEEMO C#CCNC[C@H](C)[N@H+](C)C[C@H](C)CC 53490574 571683542 /nfs/dbraw/zinc/68/35/42/571683542.db2.gz OUFZVLLESLFCFY-NEPJUHHUSA-N 1 1 196.338 1.576 10 30 ADEEMO C#CC[NH2+]C[C@H](C)N(C)C[C@H](C)CC 53490574 571683544 /nfs/dbraw/zinc/68/35/44/571683544.db2.gz OUFZVLLESLFCFY-NEPJUHHUSA-N 1 1 196.338 1.576 10 30 ADEEMO C#CCNC[C@H](C)[N@H+]1CCC[C@H]1C 53448107 571683977 /nfs/dbraw/zinc/68/39/77/571683977.db2.gz CPAVAIAHJWXRTL-MNOVXSKESA-N 1 1 180.295 1.082 10 30 ADEEMO C#CC[NH2+]C[C@H](C)N1CCC[C@H]1C 53448107 571683979 /nfs/dbraw/zinc/68/39/79/571683979.db2.gz CPAVAIAHJWXRTL-MNOVXSKESA-N 1 1 180.295 1.082 10 30 ADEEMO C[C@H]([NH2+]C/C(N)=N/O)c1ccsc1 70606338 571684126 /nfs/dbraw/zinc/68/41/26/571684126.db2.gz UATPMUSMEARVGS-LURJTMIESA-N 1 1 199.279 1.145 10 30 ADEEMO C[C@@H]([NH2+]C/C(N)=N/O)c1ccsc1 70606339 571684192 /nfs/dbraw/zinc/68/41/92/571684192.db2.gz UATPMUSMEARVGS-ZCFIWIBFSA-N 1 1 199.279 1.145 10 30 ADEEMO C=C(C)C[N@H+](C)C[C@@H](O)C(C)C 393378544 571684687 /nfs/dbraw/zinc/68/46/87/571684687.db2.gz ZTWLDGWBVCEGSI-SNVBAGLBSA-N 1 1 171.284 1.511 10 30 ADEEMO C#CCC[N@@H+]1CCC[C@@H]1CCCO 52762743 571685338 /nfs/dbraw/zinc/68/53/38/571685338.db2.gz FGHQUUYBINNJGZ-LLVKDONJSA-N 1 1 181.279 1.247 10 30 ADEEMO C=C(C)C[N@H+](C)C[C@H](O)C(C)C 393378543 571685946 /nfs/dbraw/zinc/68/59/46/571685946.db2.gz ZTWLDGWBVCEGSI-JTQLQIEISA-N 1 1 171.284 1.511 10 30 ADEEMO C[C@@H](C#N)N(C)CC[C@@H]1CCC[N@H+]1C 687715702 571686376 /nfs/dbraw/zinc/68/63/76/571686376.db2.gz XLDOLLDSVZYKOB-QWRGUYRKSA-N 1 1 195.310 1.315 10 30 ADEEMO C=CC[N@@H+]1CC[C@H]([NH3+])[C@]12CC[C@H]1C[C@H]12 712081891 571686789 /nfs/dbraw/zinc/68/67/89/571686789.db2.gz FDNDYZANPQBGFK-WHOHXGKFSA-N 1 1 192.306 1.374 10 30 ADEEMO C=CC[N@H+]1CC[C@H](N)[C@]12CC[C@H]1C[C@H]12 712081891 571686794 /nfs/dbraw/zinc/68/67/94/571686794.db2.gz FDNDYZANPQBGFK-WHOHXGKFSA-N 1 1 192.306 1.374 10 30 ADEEMO C=CC[N@@H+]1CC[C@H](N)[C@]12CC[C@H]1C[C@H]12 712081891 571686798 /nfs/dbraw/zinc/68/67/98/571686798.db2.gz FDNDYZANPQBGFK-WHOHXGKFSA-N 1 1 192.306 1.374 10 30 ADEEMO C=CCN1CC[C@H]([NH3+])[C@]12CC[C@H]1C[C@H]12 712081891 571686802 /nfs/dbraw/zinc/68/68/02/571686802.db2.gz FDNDYZANPQBGFK-WHOHXGKFSA-N 1 1 192.306 1.374 10 30 ADEEMO CC(C)[N@@H+](CCC#N)CC(C)(C)CO 687715398 571687070 /nfs/dbraw/zinc/68/70/70/571687070.db2.gz HDFFCKVRGQMIHH-UHFFFAOYSA-N 1 1 198.310 1.629 10 30 ADEEMO C[C@@H]1CCC[N@@H+](CCCC#N)[C@H]1CO 687715770 571687370 /nfs/dbraw/zinc/68/73/70/571687370.db2.gz YOBWXHJBTNFWRG-MNOVXSKESA-N 1 1 196.294 1.383 10 30 ADEEMO C[C@H](C#N)N(C)CC[C@@H]1CCC[N@H+]1C 687715701 571687689 /nfs/dbraw/zinc/68/76/89/571687689.db2.gz XLDOLLDSVZYKOB-MNOVXSKESA-N 1 1 195.310 1.315 10 30 ADEEMO C#CCC[N@@H+]1CCC[C@H]1CCCO 52762744 571687772 /nfs/dbraw/zinc/68/77/72/571687772.db2.gz FGHQUUYBINNJGZ-NSHDSACASA-N 1 1 181.279 1.247 10 30 ADEEMO C[C@@H](C#N)N(C)CC[C@H]1CCC[N@H+]1C 687715704 571687906 /nfs/dbraw/zinc/68/79/06/571687906.db2.gz XLDOLLDSVZYKOB-WDEREUQCSA-N 1 1 195.310 1.315 10 30 ADEEMO C[C@H]1CCC[N@@H+](CCCC#N)[C@@H]1CO 687715772 571688070 /nfs/dbraw/zinc/68/80/70/571688070.db2.gz YOBWXHJBTNFWRG-WDEREUQCSA-N 1 1 196.294 1.383 10 30 ADEEMO C[C@H](C#N)N(C)CC[C@H]1CCC[N@H+]1C 687715699 571688197 /nfs/dbraw/zinc/68/81/97/571688197.db2.gz XLDOLLDSVZYKOB-GHMZBOCLSA-N 1 1 195.310 1.315 10 30 ADEEMO C=CC[N@@H+]1CC[C@H]([NH3+])[C@]12CC[C@@H]1C[C@@H]12 712081888 571688223 /nfs/dbraw/zinc/68/82/23/571688223.db2.gz FDNDYZANPQBGFK-NOOOWODRSA-N 1 1 192.306 1.374 10 30 ADEEMO C=CC[N@H+]1CC[C@H](N)[C@]12CC[C@@H]1C[C@@H]12 712081888 571688226 /nfs/dbraw/zinc/68/82/26/571688226.db2.gz FDNDYZANPQBGFK-NOOOWODRSA-N 1 1 192.306 1.374 10 30 ADEEMO C=CC[N@@H+]1CC[C@H](N)[C@]12CC[C@@H]1C[C@@H]12 712081888 571688227 /nfs/dbraw/zinc/68/82/27/571688227.db2.gz FDNDYZANPQBGFK-NOOOWODRSA-N 1 1 192.306 1.374 10 30 ADEEMO C=CCN1CC[C@H]([NH3+])[C@]12CC[C@@H]1C[C@@H]12 712081888 571688230 /nfs/dbraw/zinc/68/82/30/571688230.db2.gz FDNDYZANPQBGFK-NOOOWODRSA-N 1 1 192.306 1.374 10 30 ADEEMO COCC#CC[NH+]1CC2(CC(F)C2)C1 687715301 571689240 /nfs/dbraw/zinc/68/92/40/571689240.db2.gz DUDVEZJCHOQZFD-UHFFFAOYSA-N 1 1 197.253 1.070 10 30 ADEEMO CC#CCC[N@H+]1CCc2n[nH]cc2C1 687716431 571689827 /nfs/dbraw/zinc/68/98/27/571689827.db2.gz AWTTWTUDSDIPBG-UHFFFAOYSA-N 1 1 189.262 1.181 10 30 ADEEMO CC#CCC[N@H+]1CCC[C@@H](C)[C@H]1CO 687716345 571690737 /nfs/dbraw/zinc/69/07/37/571690737.db2.gz IZSYKXVCKIYPBW-VXGBXAGGSA-N 1 1 195.306 1.493 10 30 ADEEMO CCC[N@@H+]1C[C@H](CC#N)NC[C@@H](C)C1 250006677 571691642 /nfs/dbraw/zinc/69/16/42/571691642.db2.gz PLNAAIPXHWQYAH-MNOVXSKESA-N 1 1 195.310 1.220 10 30 ADEEMO CCC[N@H+]1C[C@@H](C)CN[C@@H](CC#N)C1 250006682 571691667 /nfs/dbraw/zinc/69/16/67/571691667.db2.gz PLNAAIPXHWQYAH-QWRGUYRKSA-N 1 1 195.310 1.220 10 30 ADEEMO CC#CCC[N@H+]1CCC[C@H](C)[C@@H]1CO 687716344 571691815 /nfs/dbraw/zinc/69/18/15/571691815.db2.gz IZSYKXVCKIYPBW-RYUDHWBXSA-N 1 1 195.306 1.493 10 30 ADEEMO CC#CCC[N@H+]1CCC[C@@H](C)[C@@H]1CO 687716342 571692626 /nfs/dbraw/zinc/69/26/26/571692626.db2.gz IZSYKXVCKIYPBW-NEPJUHHUSA-N 1 1 195.306 1.493 10 30 ADEEMO CC#CCC[N@H+]1CCC[C@H](C)[C@H]1CO 687716343 571692822 /nfs/dbraw/zinc/69/28/22/571692822.db2.gz IZSYKXVCKIYPBW-NWDGAFQWSA-N 1 1 195.306 1.493 10 30 ADEEMO C[C@H](C#N)OCC[N@H+]1CCC1(C)C 687716585 571695222 /nfs/dbraw/zinc/69/52/22/571695222.db2.gz CCORTDMZXZZYEW-SECBINFHSA-N 1 1 182.267 1.399 10 30 ADEEMO C=CC[N@@H+]1CC[C@H]([NH3+])[C@@H]1[C@@H]1CC12CC2 712108436 571696179 /nfs/dbraw/zinc/69/61/79/571696179.db2.gz WELKUCFIAQNNQT-DCAQKATOSA-N 1 1 192.306 1.374 10 30 ADEEMO C=CC[N@H+]1CC[C@H](N)[C@@H]1[C@@H]1CC12CC2 712108436 571696181 /nfs/dbraw/zinc/69/61/81/571696181.db2.gz WELKUCFIAQNNQT-DCAQKATOSA-N 1 1 192.306 1.374 10 30 ADEEMO C=CC[N@@H+]1CC[C@H](N)[C@@H]1[C@@H]1CC12CC2 712108436 571696183 /nfs/dbraw/zinc/69/61/83/571696183.db2.gz WELKUCFIAQNNQT-DCAQKATOSA-N 1 1 192.306 1.374 10 30 ADEEMO C=CC[N@@H+]1CC[C@H]([NH3+])[C@H]1[C@@H]1CC12CC2 712108440 571696837 /nfs/dbraw/zinc/69/68/37/571696837.db2.gz WELKUCFIAQNNQT-GARJFASQSA-N 1 1 192.306 1.374 10 30 ADEEMO C=CC[N@H+]1CC[C@H](N)[C@H]1[C@@H]1CC12CC2 712108440 571696843 /nfs/dbraw/zinc/69/68/43/571696843.db2.gz WELKUCFIAQNNQT-GARJFASQSA-N 1 1 192.306 1.374 10 30 ADEEMO C=CC[N@@H+]1CC[C@H](N)[C@H]1[C@@H]1CC12CC2 712108440 571696846 /nfs/dbraw/zinc/69/68/46/571696846.db2.gz WELKUCFIAQNNQT-GARJFASQSA-N 1 1 192.306 1.374 10 30 ADEEMO C=CC[N@@H+]1CC[C@H]([NH3+])[C@H]1[C@H]1CC12CC2 712108441 571696927 /nfs/dbraw/zinc/69/69/27/571696927.db2.gz WELKUCFIAQNNQT-OUAUKWLOSA-N 1 1 192.306 1.374 10 30 ADEEMO C=CC[N@H+]1CC[C@H](N)[C@H]1[C@H]1CC12CC2 712108441 571696929 /nfs/dbraw/zinc/69/69/29/571696929.db2.gz WELKUCFIAQNNQT-OUAUKWLOSA-N 1 1 192.306 1.374 10 30 ADEEMO C=CC[N@@H+]1CC[C@H](N)[C@H]1[C@H]1CC12CC2 712108441 571696931 /nfs/dbraw/zinc/69/69/31/571696931.db2.gz WELKUCFIAQNNQT-OUAUKWLOSA-N 1 1 192.306 1.374 10 30 ADEEMO C=CC[N@@H+]1CC[C@H]([NH3+])[C@@H]1[C@H]1CC12CC2 712108444 571697682 /nfs/dbraw/zinc/69/76/82/571697682.db2.gz WELKUCFIAQNNQT-VWYCJHECSA-N 1 1 192.306 1.374 10 30 ADEEMO C=CC[N@H+]1CC[C@H](N)[C@@H]1[C@H]1CC12CC2 712108444 571697685 /nfs/dbraw/zinc/69/76/85/571697685.db2.gz WELKUCFIAQNNQT-VWYCJHECSA-N 1 1 192.306 1.374 10 30 ADEEMO C=CC[N@@H+]1CC[C@H](N)[C@@H]1[C@H]1CC12CC2 712108444 571697687 /nfs/dbraw/zinc/69/76/87/571697687.db2.gz WELKUCFIAQNNQT-VWYCJHECSA-N 1 1 192.306 1.374 10 30 ADEEMO C=CC[N@H+]1CC[C@H](N)[C@]1(C)[C@@H]1C[C@H]1C 712102532 571697728 /nfs/dbraw/zinc/69/77/28/571697728.db2.gz KVWGMTLAOLCEMM-WYUUTHIRSA-N 1 1 194.322 1.620 10 30 ADEEMO C=CC[N@@H+]1CC[C@H](N)[C@]1(C)[C@@H]1C[C@H]1C 712102532 571697731 /nfs/dbraw/zinc/69/77/31/571697731.db2.gz KVWGMTLAOLCEMM-WYUUTHIRSA-N 1 1 194.322 1.620 10 30 ADEEMO C=CCN1CC[C@H]([NH3+])[C@]1(C)[C@@H]1C[C@H]1C 712102532 571697733 /nfs/dbraw/zinc/69/77/33/571697733.db2.gz KVWGMTLAOLCEMM-WYUUTHIRSA-N 1 1 194.322 1.620 10 30 ADEEMO Cc1c[nH+]c2cc(CC#N)ccn12 213993953 571697758 /nfs/dbraw/zinc/69/77/58/571697758.db2.gz OLKADUKXJDWBBB-UHFFFAOYSA-N 1 1 171.203 1.709 10 30 ADEEMO C=CC[N@H+]1CC[C@H](N)[C@]1(C)[C@@H]1C[C@@H]1C 712102531 571698110 /nfs/dbraw/zinc/69/81/10/571698110.db2.gz KVWGMTLAOLCEMM-USZNOCQGSA-N 1 1 194.322 1.620 10 30 ADEEMO C=CC[N@@H+]1CC[C@H](N)[C@]1(C)[C@@H]1C[C@@H]1C 712102531 571698113 /nfs/dbraw/zinc/69/81/13/571698113.db2.gz KVWGMTLAOLCEMM-USZNOCQGSA-N 1 1 194.322 1.620 10 30 ADEEMO C=CCN1CC[C@H]([NH3+])[C@]1(C)[C@@H]1C[C@@H]1C 712102531 571698116 /nfs/dbraw/zinc/69/81/16/571698116.db2.gz KVWGMTLAOLCEMM-USZNOCQGSA-N 1 1 194.322 1.620 10 30 ADEEMO CCC[N@H+]1CCCN(C)[C@@H](CC#N)C1 250031600 571698621 /nfs/dbraw/zinc/69/86/21/571698621.db2.gz SHEQEGVYLIXKRO-NSHDSACASA-N 1 1 195.310 1.316 10 30 ADEEMO C#CCCC[C@H]([NH2+]C)C(F)F 234407529 571698684 /nfs/dbraw/zinc/69/86/84/571698684.db2.gz ZNSPBHJXZKLWQF-ZETCQYMHSA-N 1 1 161.195 1.643 10 30 ADEEMO C[C@@H](C#N)OCC[N@H+]1CCC1(C)C 687716586 571698689 /nfs/dbraw/zinc/69/86/89/571698689.db2.gz CCORTDMZXZZYEW-VIFPVBQESA-N 1 1 182.267 1.399 10 30 ADEEMO C=CCC[N@H+](C)Cc1[nH]cnc1C 687716584 571698804 /nfs/dbraw/zinc/69/88/04/571698804.db2.gz BJIMESXTJVMBAE-UHFFFAOYSA-N 1 1 179.267 1.726 10 30 ADEEMO C=CC[N@H+]1CC[C@H](N)[C@@H]1C1(CC)CC1 712122394 571703008 /nfs/dbraw/zinc/70/30/08/571703008.db2.gz NBAFWFLRSNHURZ-WDEREUQCSA-N 1 1 194.322 1.764 10 30 ADEEMO C=CC[N@@H+]1CC[C@H](N)[C@@H]1C1(CC)CC1 712122394 571703011 /nfs/dbraw/zinc/70/30/11/571703011.db2.gz NBAFWFLRSNHURZ-WDEREUQCSA-N 1 1 194.322 1.764 10 30 ADEEMO CC(C)(C)C#CC[C@@H]([NH3+])c1cn[nH]n1 300723065 571705490 /nfs/dbraw/zinc/70/54/90/571705490.db2.gz CJVAPJZDZSGDCX-MRVPVSSYSA-N 1 1 192.266 1.244 10 30 ADEEMO Cc1ccn(CCC[C@@](C)([NH3+])C#N)n1 70629859 571707103 /nfs/dbraw/zinc/70/71/03/571707103.db2.gz QEVVUMCRVRAWKW-SNVBAGLBSA-N 1 1 192.266 1.213 10 30 ADEEMO Cc1ccnn1CCC[C@@](C)([NH3+])C#N 70629923 571706703 /nfs/dbraw/zinc/70/67/03/571706703.db2.gz SRFPKEAWVOUDQQ-SNVBAGLBSA-N 1 1 192.266 1.213 10 30 ADEEMO Cc1ccnn1CCC[C@](C)([NH3+])C#N 70629922 571707648 /nfs/dbraw/zinc/70/76/48/571707648.db2.gz SRFPKEAWVOUDQQ-JTQLQIEISA-N 1 1 192.266 1.213 10 30 ADEEMO Cc1ccn(CCC[C@](C)([NH3+])C#N)n1 70629858 571708424 /nfs/dbraw/zinc/70/84/24/571708424.db2.gz QEVVUMCRVRAWKW-JTQLQIEISA-N 1 1 192.266 1.213 10 30 ADEEMO C#CC[NH2+][C@H](CC)c1nccs1 70633894 571710300 /nfs/dbraw/zinc/71/03/00/571710300.db2.gz IZLBMVKRTHDGQT-MRVPVSSYSA-N 1 1 180.276 1.817 10 30 ADEEMO C#CC[NH2+][C@@H](CC)c1nccs1 70633893 571710472 /nfs/dbraw/zinc/71/04/72/571710472.db2.gz IZLBMVKRTHDGQT-QMMMGPOBSA-N 1 1 180.276 1.817 10 30 ADEEMO Cc1cn2cc(CC#N)n(C)c2[nH+]1 214078449 571711414 /nfs/dbraw/zinc/71/14/14/571711414.db2.gz QUOGMONTSXVVHF-UHFFFAOYSA-N 1 1 174.207 1.047 10 30 ADEEMO C=CC[C@H](C)[NH2+]CC(C)(C)NC 393334944 571711978 /nfs/dbraw/zinc/71/19/78/571711978.db2.gz AFULYKHNCFWBPY-VIFPVBQESA-N 1 1 170.300 1.539 10 30 ADEEMO C=CCC[N@@H+]1CCC[C@H]1CCO 393334921 571712024 /nfs/dbraw/zinc/71/20/24/571712024.db2.gz ACUZGVNWLQOAKS-JTQLQIEISA-N 1 1 169.268 1.409 10 30 ADEEMO C[C@](N)(C#N)C[N@H+](CC1CC1)C1CC1 70635947 571712038 /nfs/dbraw/zinc/71/20/38/571712038.db2.gz ZPTAYBQGDCHOQR-NSHDSACASA-N 1 1 193.294 1.102 10 30 ADEEMO C[C@](N)(C#N)C[N@@H+](CC1CC1)C1CC1 70635947 571712042 /nfs/dbraw/zinc/71/20/42/571712042.db2.gz ZPTAYBQGDCHOQR-NSHDSACASA-N 1 1 193.294 1.102 10 30 ADEEMO C=CCC[N@@H+]1CCC[C@@H]1CCO 393334924 571712694 /nfs/dbraw/zinc/71/26/94/571712694.db2.gz ACUZGVNWLQOAKS-SNVBAGLBSA-N 1 1 169.268 1.409 10 30 ADEEMO C#CCNCC[N@@H+](CC1CC1)C1CC1 70636127 571712986 /nfs/dbraw/zinc/71/29/86/571712986.db2.gz KFYMHLAPHIHQAZ-UHFFFAOYSA-N 1 1 192.306 1.084 10 30 ADEEMO C#CC[NH2+]CCN(CC1CC1)C1CC1 70636127 571712987 /nfs/dbraw/zinc/71/29/87/571712987.db2.gz KFYMHLAPHIHQAZ-UHFFFAOYSA-N 1 1 192.306 1.084 10 30 ADEEMO N#C[C@@H](N)CC[N@@H+](CC1CC1)C1CC1 70635924 571712999 /nfs/dbraw/zinc/71/29/99/571712999.db2.gz HFKNEOLUBZPKQY-JTQLQIEISA-N 1 1 193.294 1.102 10 30 ADEEMO C=CC[C@@H](C)[NH2+]CC(C)(C)NC 393334943 571713197 /nfs/dbraw/zinc/71/31/97/571713197.db2.gz AFULYKHNCFWBPY-SECBINFHSA-N 1 1 170.300 1.539 10 30 ADEEMO C[C@H](CC#N)[N@@H+](C)[C@@H](CO)C(C)(C)C 689315121 571713277 /nfs/dbraw/zinc/71/32/77/571713277.db2.gz WZDKSFMSAZEFMQ-ZJUUUORDSA-N 1 1 198.310 1.627 10 30 ADEEMO C[C@@H](CC#N)[N@@H+](C)[C@H](CO)C(C)(C)C 689315119 571713419 /nfs/dbraw/zinc/71/34/19/571713419.db2.gz WZDKSFMSAZEFMQ-VHSXEESVSA-N 1 1 198.310 1.627 10 30 ADEEMO C[C@@](N)(C#N)C[N@H+](CC1CC1)C1CC1 70635948 571713523 /nfs/dbraw/zinc/71/35/23/571713523.db2.gz ZPTAYBQGDCHOQR-LLVKDONJSA-N 1 1 193.294 1.102 10 30 ADEEMO C[C@@](N)(C#N)C[N@@H+](CC1CC1)C1CC1 70635948 571713524 /nfs/dbraw/zinc/71/35/24/571713524.db2.gz ZPTAYBQGDCHOQR-LLVKDONJSA-N 1 1 193.294 1.102 10 30 ADEEMO C=CCNCC[N@H+](CC1CC1)C1CC1 70636121 571713787 /nfs/dbraw/zinc/71/37/87/571713787.db2.gz SXPYWNZJGRLGLJ-UHFFFAOYSA-N 1 1 194.322 1.636 10 30 ADEEMO C=CCNCC[N@@H+](CC1CC1)C1CC1 70636121 571713792 /nfs/dbraw/zinc/71/37/92/571713792.db2.gz SXPYWNZJGRLGLJ-UHFFFAOYSA-N 1 1 194.322 1.636 10 30 ADEEMO N#C[C@H](N)CC[N@@H+](CC1CC1)C1CC1 70635927 571714235 /nfs/dbraw/zinc/71/42/35/571714235.db2.gz HFKNEOLUBZPKQY-SNVBAGLBSA-N 1 1 193.294 1.102 10 30 ADEEMO C[C@@H](CC#N)[N@@H+](C)[C@@H](CO)C(C)(C)C 689315117 571714310 /nfs/dbraw/zinc/71/43/10/571714310.db2.gz WZDKSFMSAZEFMQ-UWVGGRQHSA-N 1 1 198.310 1.627 10 30 ADEEMO C[C@H](CC#N)[N@@H+](C)[C@H](CO)C(C)(C)C 689315115 571714915 /nfs/dbraw/zinc/71/49/15/571714915.db2.gz WZDKSFMSAZEFMQ-NXEZZACHSA-N 1 1 198.310 1.627 10 30 ADEEMO C=CCC[N@@H+]1CC[C@@H](C)C[C@@H]1CN 235278676 571716168 /nfs/dbraw/zinc/71/61/68/571716168.db2.gz QUIPIRPBWPSLAR-GHMZBOCLSA-N 1 1 182.311 1.622 10 30 ADEEMO C=CCCN1CC[C@@H](C)C[C@@H]1C[NH3+] 235278676 571716171 /nfs/dbraw/zinc/71/61/71/571716171.db2.gz QUIPIRPBWPSLAR-GHMZBOCLSA-N 1 1 182.311 1.622 10 30 ADEEMO C[C@@H]1C[C@H]1[NH2+]C[C@@H](C#N)C(F)(F)F 235278623 571716640 /nfs/dbraw/zinc/71/66/40/571716640.db2.gz MBDQQRKLZARFBG-FSDSQADBSA-N 1 1 192.184 1.686 10 30 ADEEMO C[C@H]1CCCc2[nH+]cc(CC#N)n21 214112639 571717094 /nfs/dbraw/zinc/71/70/94/571717094.db2.gz NISSXPCIRPUPGL-QMMMGPOBSA-N 1 1 175.235 1.846 10 30 ADEEMO C[C@@H]1CCn2c(CC#N)c[nH+]c2C1 214112721 571717282 /nfs/dbraw/zinc/71/72/82/571717282.db2.gz QIWCFXZBBSUYHP-MRVPVSSYSA-N 1 1 175.235 1.531 10 30 ADEEMO C[C@H]1CCn2c(CC#N)c[nH+]c2C1 214112780 571717744 /nfs/dbraw/zinc/71/77/44/571717744.db2.gz QIWCFXZBBSUYHP-QMMMGPOBSA-N 1 1 175.235 1.531 10 30 ADEEMO C#CCCC[N@@H+]1CC[C@@H](C)C[C@@H]1CN 235278760 571719470 /nfs/dbraw/zinc/71/94/70/571719470.db2.gz NHIIDOQULHASOQ-VXGBXAGGSA-N 1 1 194.322 1.459 10 30 ADEEMO C#CCCCN1CC[C@@H](C)C[C@@H]1C[NH3+] 235278760 571719472 /nfs/dbraw/zinc/71/94/72/571719472.db2.gz NHIIDOQULHASOQ-VXGBXAGGSA-N 1 1 194.322 1.459 10 30 ADEEMO CCc1[nH+]ccc(OC)c1CC#N 214129213 571719811 /nfs/dbraw/zinc/71/98/11/571719811.db2.gz IXXIACWPGDJQLO-UHFFFAOYSA-N 1 1 176.219 1.719 10 30 ADEEMO Cc1cccc(N=CC(C#N)C#N)[n+]1C 97442619 571721172 /nfs/dbraw/zinc/72/11/72/571721172.db2.gz WPTOCRCEQKYTPZ-UHFFFAOYSA-N 1 1 198.229 1.143 10 30 ADEEMO C[C@H](C#N)C[N@@H+](C)[C@@H]1CCSC1 37174845 571724974 /nfs/dbraw/zinc/72/49/74/571724974.db2.gz CFWYMZRKDBZMGW-RKDXNWHRSA-N 1 1 184.308 1.583 10 30 ADEEMO C#C[C@H](CC)[N@@H+]1CC[C@@H](C)C[C@@H]1CN 233827655 571726405 /nfs/dbraw/zinc/72/64/05/571726405.db2.gz PQYMAAVYJLDDCM-IJLUTSLNSA-N 1 1 194.322 1.457 10 30 ADEEMO C#C[C@H](CC)[N@H+]1CC[C@@H](C)C[C@@H]1CN 233827655 571726409 /nfs/dbraw/zinc/72/64/09/571726409.db2.gz PQYMAAVYJLDDCM-IJLUTSLNSA-N 1 1 194.322 1.457 10 30 ADEEMO C=CC[N@H+]1CCNC[C@H]1[C@H](C)CC 84859514 571727880 /nfs/dbraw/zinc/72/78/80/571727880.db2.gz LEEIRVLYIQSFFV-MNOVXSKESA-N 1 1 182.311 1.492 10 30 ADEEMO C=CC[N@@H+]1CCNC[C@H]1[C@H](C)CC 84859514 571727883 /nfs/dbraw/zinc/72/78/83/571727883.db2.gz LEEIRVLYIQSFFV-MNOVXSKESA-N 1 1 182.311 1.492 10 30 ADEEMO C[C@@H](CC#N)[NH2+]CCc1nccs1 388672610 571728654 /nfs/dbraw/zinc/72/86/54/571728654.db2.gz YJAYQAJWELDPAW-QMMMGPOBSA-N 1 1 195.291 1.577 10 30 ADEEMO CCSC[C@@H](C)[N@H+](C)CCC#N 687798670 571731411 /nfs/dbraw/zinc/73/14/11/571731411.db2.gz NLESQOOEPJUABT-SECBINFHSA-N 1 1 186.324 1.973 10 30 ADEEMO CCSC[C@@H](C)[N@@H+](C)CCC#N 687798670 571731415 /nfs/dbraw/zinc/73/14/15/571731415.db2.gz NLESQOOEPJUABT-SECBINFHSA-N 1 1 186.324 1.973 10 30 ADEEMO CCSC[C@H](C)[N@H+](C)CCC#N 687798671 571730247 /nfs/dbraw/zinc/73/02/47/571730247.db2.gz NLESQOOEPJUABT-VIFPVBQESA-N 1 1 186.324 1.973 10 30 ADEEMO CCSC[C@H](C)[N@@H+](C)CCC#N 687798671 571730249 /nfs/dbraw/zinc/73/02/49/571730249.db2.gz NLESQOOEPJUABT-VIFPVBQESA-N 1 1 186.324 1.973 10 30 ADEEMO C=C(C)C[N@H+](CC)C(C)(C)CO 687798716 571730368 /nfs/dbraw/zinc/73/03/68/571730368.db2.gz PGKCTMAFHPWPNH-UHFFFAOYSA-N 1 1 171.284 1.655 10 30 ADEEMO CC(C)C[N@@H+](C)[C@H](C)C=O 710807045 571730925 /nfs/dbraw/zinc/73/09/25/571730925.db2.gz WLEAUJADMVVLGR-MRVPVSSYSA-N 1 1 143.230 1.162 10 30 ADEEMO C=CCCN[C@@H](C[NH3+])c1cccs1 168658049 571730991 /nfs/dbraw/zinc/73/09/91/571730991.db2.gz AHEACCYQNRAVDM-VIFPVBQESA-N 1 1 196.319 1.914 10 30 ADEEMO C=CCCN[C@H](C[NH3+])c1cccs1 168658144 571731732 /nfs/dbraw/zinc/73/17/32/571731732.db2.gz AHEACCYQNRAVDM-SECBINFHSA-N 1 1 196.319 1.914 10 30 ADEEMO C[C@@H]1C[C@@H]1[NH2+]C[C@@H](C#N)C(F)(F)F 235297375 571734484 /nfs/dbraw/zinc/73/44/84/571734484.db2.gz MBDQQRKLZARFBG-QYNIQEEDSA-N 1 1 192.184 1.686 10 30 ADEEMO C=C[C@@H](C(=O)OC)[N@@H+]1CCC2(CC2)C1 400204553 571735964 /nfs/dbraw/zinc/73/59/64/571735964.db2.gz HMZONOZQSBGZJB-VIFPVBQESA-N 1 1 195.262 1.200 10 30 ADEEMO C=C[C@@H](C(=O)OC)[N@H+]1CCC2(CC2)C1 400204553 571735969 /nfs/dbraw/zinc/73/59/69/571735969.db2.gz HMZONOZQSBGZJB-VIFPVBQESA-N 1 1 195.262 1.200 10 30 ADEEMO C=CCCN[C@@H](C[NH3+])c1ccccc1 168658807 571737263 /nfs/dbraw/zinc/73/72/63/571737263.db2.gz MDOPLGQVGWSKLK-LBPRGKRZSA-N 1 1 190.290 1.852 10 30 ADEEMO C#CCCCN[C@H](C)[C@H]1CCC[NH2+]1 400328860 571742662 /nfs/dbraw/zinc/74/26/62/571742662.db2.gz BFDRMNHYJXZHKJ-GHMZBOCLSA-N 1 1 180.295 1.130 10 30 ADEEMO C#CCCCN[C@H](C)[C@@H]1CCC[NH2+]1 400328862 571743373 /nfs/dbraw/zinc/74/33/73/571743373.db2.gz BFDRMNHYJXZHKJ-MNOVXSKESA-N 1 1 180.295 1.130 10 30 ADEEMO C#CCCCN[C@@H](C)[C@@H]1CCC[NH2+]1 400328864 571743476 /nfs/dbraw/zinc/74/34/76/571743476.db2.gz BFDRMNHYJXZHKJ-QWRGUYRKSA-N 1 1 180.295 1.130 10 30 ADEEMO C[N@@H+]1CC[C@@H](NCC#CC(C)(C)C)C1 300774394 571743481 /nfs/dbraw/zinc/74/34/81/571743481.db2.gz QHHSWQLMRBVSQG-LLVKDONJSA-N 1 1 194.322 1.330 10 30 ADEEMO C[N@H+]1CC[C@@H](NCC#CC(C)(C)C)C1 300774394 571743485 /nfs/dbraw/zinc/74/34/85/571743485.db2.gz QHHSWQLMRBVSQG-LLVKDONJSA-N 1 1 194.322 1.330 10 30 ADEEMO C#CCCCN[C@@H](C)[C@H]1CCC[NH2+]1 400328867 571743894 /nfs/dbraw/zinc/74/38/94/571743894.db2.gz BFDRMNHYJXZHKJ-WDEREUQCSA-N 1 1 180.295 1.130 10 30 ADEEMO C1CC1C[N@@H+](C[C@H]1CO1)C1CC1 70736531 571743959 /nfs/dbraw/zinc/74/39/59/571743959.db2.gz VVXYPQWCGLPTTO-JTQLQIEISA-N 1 1 167.252 1.260 10 30 ADEEMO C1CC1C[N@@H+](C[C@@H]1CO1)C1CC1 70736528 571744042 /nfs/dbraw/zinc/74/40/42/571744042.db2.gz VVXYPQWCGLPTTO-SNVBAGLBSA-N 1 1 167.252 1.260 10 30 ADEEMO CCCC[N@@H+](C/C(N)=N/O)C(C)C 70715484 571744310 /nfs/dbraw/zinc/74/43/10/571744310.db2.gz IDLHFUBOUCEXDL-UHFFFAOYSA-N 1 1 187.287 1.243 10 30 ADEEMO C=CC[C@@H](N)C[NH2+]C1(C2(C)CC2)CC1 398209960 571745576 /nfs/dbraw/zinc/74/55/76/571745576.db2.gz HYGWYHMVFZNNAZ-SNVBAGLBSA-N 1 1 194.322 1.812 10 30 ADEEMO CC[C@H](C)[N@@H+](C/C(N)=N/O)C(C)C 70715499 571745188 /nfs/dbraw/zinc/74/51/88/571745188.db2.gz QNEYBGMBMOCBHK-QMMMGPOBSA-N 1 1 187.287 1.242 10 30 ADEEMO O=CCC[N@@H+](CC1CC1)C1CC1 70736711 571745492 /nfs/dbraw/zinc/74/54/92/571745492.db2.gz PEQNSBFPWHFPBA-UHFFFAOYSA-N 1 1 167.252 1.450 10 30 ADEEMO CC[C@@H](C)[N@@H+](C/C(N)=N/O)C(C)C 70715498 571746298 /nfs/dbraw/zinc/74/62/98/571746298.db2.gz QNEYBGMBMOCBHK-MRVPVSSYSA-N 1 1 187.287 1.242 10 30 ADEEMO C[N@H+]1CCC[C@@H]1c1cncc(C#N)c1 13757375 571749178 /nfs/dbraw/zinc/74/91/78/571749178.db2.gz UGQYWYATSVCPRJ-LLVKDONJSA-N 1 1 187.246 1.720 10 30 ADEEMO C[N@H+]1CCC[C@H]1c1cncc(C#N)c1 13757376 571749345 /nfs/dbraw/zinc/74/93/45/571749345.db2.gz UGQYWYATSVCPRJ-NSHDSACASA-N 1 1 187.246 1.720 10 30 ADEEMO C=C[C@H](C)[N@H+]1CC[C@H](C[NH2+]C)C1 70800153 571755478 /nfs/dbraw/zinc/75/54/78/571755478.db2.gz WFZMAAITFWIHAZ-VHSXEESVSA-N 1 1 168.284 1.102 10 30 ADEEMO N#CCc1cccc(N2C=[NH+]CC2)c1 214412709 571753878 /nfs/dbraw/zinc/75/38/78/571753878.db2.gz OGAJIJJHECFAQS-UHFFFAOYSA-N 1 1 185.230 1.601 10 30 ADEEMO C[NH2+]C[C@@H]1CC[N@@H+](CCCCC#N)C1 70799531 571755111 /nfs/dbraw/zinc/75/51/11/571755111.db2.gz QBZDKHFXTJEZSE-NSHDSACASA-N 1 1 195.310 1.222 10 30 ADEEMO CC(C)C([NH3+])(C#N)C(C)C 205041678 571755330 /nfs/dbraw/zinc/75/53/30/571755330.db2.gz LXEJQBYRXITVQN-UHFFFAOYSA-N 1 1 140.230 1.519 10 30 ADEEMO C=C[C@H](C)N1CC[C@H](C[NH2+]C)C1 70800153 571755480 /nfs/dbraw/zinc/75/54/80/571755480.db2.gz WFZMAAITFWIHAZ-VHSXEESVSA-N 1 1 168.284 1.102 10 30 ADEEMO N#CCc1ccc(N2C=[NH+]CC2)cc1 214412792 571755697 /nfs/dbraw/zinc/75/56/97/571755697.db2.gz JCFNVVYDFRGRLT-UHFFFAOYSA-N 1 1 185.230 1.601 10 30 ADEEMO C=C(C)C[N@@H+]1CC[C@H](C[NH2+]C)C1 70799753 571755655 /nfs/dbraw/zinc/75/56/55/571755655.db2.gz DFKCSFJXCMRDDY-SNVBAGLBSA-N 1 1 168.284 1.104 10 30 ADEEMO C=C(C)CN1CC[C@H](C[NH2+]C)C1 70799753 571755658 /nfs/dbraw/zinc/75/56/58/571755658.db2.gz DFKCSFJXCMRDDY-SNVBAGLBSA-N 1 1 168.284 1.104 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CC[C@H](C[NH2+]C)C1 70800155 571756218 /nfs/dbraw/zinc/75/62/18/571756218.db2.gz WFZMAAITFWIHAZ-NXEZZACHSA-N 1 1 168.284 1.102 10 30 ADEEMO C=C[C@@H](C)N1CC[C@H](C[NH2+]C)C1 70800155 571756222 /nfs/dbraw/zinc/75/62/22/571756222.db2.gz WFZMAAITFWIHAZ-NXEZZACHSA-N 1 1 168.284 1.102 10 30 ADEEMO CC(C)(C)C#CC[C@H]([NH3+])c1cn[nH]n1 300723066 571756232 /nfs/dbraw/zinc/75/62/32/571756232.db2.gz CJVAPJZDZSGDCX-QMMMGPOBSA-N 1 1 192.266 1.244 10 30 ADEEMO C[N@H+]1CCc2cccc(CC#N)c2C1 214459483 571757070 /nfs/dbraw/zinc/75/70/70/571757070.db2.gz PDKVDRQJTCLCSR-UHFFFAOYSA-N 1 1 186.258 1.741 10 30 ADEEMO C=C(C)C[N@@H+]1CC[C@@H](C[NH2+]C)C1 70799756 571757545 /nfs/dbraw/zinc/75/75/45/571757545.db2.gz DFKCSFJXCMRDDY-JTQLQIEISA-N 1 1 168.284 1.104 10 30 ADEEMO C=C(C)CN1CC[C@@H](C[NH2+]C)C1 70799756 571757550 /nfs/dbraw/zinc/75/75/50/571757550.db2.gz DFKCSFJXCMRDDY-JTQLQIEISA-N 1 1 168.284 1.104 10 30 ADEEMO C#CC[C@H](CC)Nc1ccc(N)c[nH+]1 233863892 571758336 /nfs/dbraw/zinc/75/83/36/571758336.db2.gz DCLBJJKYSTWPHY-JTQLQIEISA-N 1 1 189.262 1.878 10 30 ADEEMO CC[C@H](C#N)N(C)C[C@@H]1CC[N@@H+](C)C1 70822012 571758444 /nfs/dbraw/zinc/75/84/44/571758444.db2.gz ZRGRZBLUDRYLDB-GHMZBOCLSA-N 1 1 195.310 1.172 10 30 ADEEMO C[C@H](CC#N)N(C)C[C@@H]1CC[N@@H+](C)C1 70822064 571758456 /nfs/dbraw/zinc/75/84/56/571758456.db2.gz LVWYVSPNJXDHFF-GHMZBOCLSA-N 1 1 195.310 1.172 10 30 ADEEMO C[C@@H](CC#N)N(C)C[C@@H]1CC[N@@H+](C)C1 70822061 571758863 /nfs/dbraw/zinc/75/88/63/571758863.db2.gz LVWYVSPNJXDHFF-WDEREUQCSA-N 1 1 195.310 1.172 10 30 ADEEMO CN(CCCC#N)C[C@@H]1CC[N@@H+](C)C1 70822037 571759377 /nfs/dbraw/zinc/75/93/77/571759377.db2.gz IFAOVYRLAORZIN-NSHDSACASA-N 1 1 195.310 1.174 10 30 ADEEMO CN(CCCC#N)C[C@H]1CC[N@@H+](C)C1 70822034 571759464 /nfs/dbraw/zinc/75/94/64/571759464.db2.gz IFAOVYRLAORZIN-LLVKDONJSA-N 1 1 195.310 1.174 10 30 ADEEMO CC[C@@H](C#N)N(C)C[C@@H]1CC[N@@H+](C)C1 70822008 571760479 /nfs/dbraw/zinc/76/04/79/571760479.db2.gz ZRGRZBLUDRYLDB-MNOVXSKESA-N 1 1 195.310 1.172 10 30 ADEEMO CC[C@@H](CC#N)[N@H+]1CC[C@@](C)(O)C1 233866789 571760497 /nfs/dbraw/zinc/76/04/97/571760497.db2.gz WQHKOQANXQPFJN-VHSXEESVSA-N 1 1 182.267 1.135 10 30 ADEEMO C#CC[C@H](CC)Nc1[nH+]cccc1N 233864550 571760651 /nfs/dbraw/zinc/76/06/51/571760651.db2.gz XLHGXLYNRPCEJR-VIFPVBQESA-N 1 1 189.262 1.878 10 30 ADEEMO C[C@H](C#N)CN(C)C[C@@H]1CC[N@@H+](C)C1 70822040 571760621 /nfs/dbraw/zinc/76/06/21/571760621.db2.gz NGBGBIXRSHGWDE-GHMZBOCLSA-N 1 1 195.310 1.030 10 30 ADEEMO CC[C@@H](CC#N)N1CC[N@@H+](C)C[C@@H]1C 233866531 571760951 /nfs/dbraw/zinc/76/09/51/571760951.db2.gz XCODWRFBPBEULR-QWRGUYRKSA-N 1 1 195.310 1.315 10 30 ADEEMO C#CC[N@H+]1CCC[C@@H]2C[C@@H]21 26322742 571762038 /nfs/dbraw/zinc/76/20/38/571762038.db2.gz LQHGRHJUJNPBCO-BDAKNGLRSA-N 1 1 135.210 1.104 10 30 ADEEMO C=CC[NH+]1CCN([C@@H](C#N)CC)CC1 70995525 571762754 /nfs/dbraw/zinc/76/27/54/571762754.db2.gz IPHQAPADGZIZGL-LLVKDONJSA-N 1 1 193.294 1.092 10 30 ADEEMO N#CCC[C@H]1CC[N@H+]1C1CC1 17814457 571763386 /nfs/dbraw/zinc/76/33/86/571763386.db2.gz JXNOFWFGWFBLHU-QMMMGPOBSA-N 1 1 150.225 1.527 10 30 ADEEMO C=CC[NH+]1CCN([C@H](C#N)CC)CC1 70995523 571763487 /nfs/dbraw/zinc/76/34/87/571763487.db2.gz IPHQAPADGZIZGL-NSHDSACASA-N 1 1 193.294 1.092 10 30 ADEEMO N#CCC[C@@H]1CC[N@H+]1C1CC1 17814453 571763692 /nfs/dbraw/zinc/76/36/92/571763692.db2.gz JXNOFWFGWFBLHU-MRVPVSSYSA-N 1 1 150.225 1.527 10 30 ADEEMO C#C[C@H](C(C)C)[N@@H+]1C[C@@H](C)NC[C@H]1C 300717665 571763784 /nfs/dbraw/zinc/76/37/84/571763784.db2.gz VDVRFCHYJRMYHV-IJLUTSLNSA-N 1 1 194.322 1.326 10 30 ADEEMO C#C[C@H](C(C)C)[N@H+]1C[C@@H](C)NC[C@H]1C 300717665 571763789 /nfs/dbraw/zinc/76/37/89/571763789.db2.gz VDVRFCHYJRMYHV-IJLUTSLNSA-N 1 1 194.322 1.326 10 30 ADEEMO CCC(C)(C)C[N@@H+](C)CC=O 17667890 571764489 /nfs/dbraw/zinc/76/44/89/571764489.db2.gz WHFLYURQPTXXSC-UHFFFAOYSA-N 1 1 157.257 1.553 10 30 ADEEMO C[N@H+]1CC[C@@H](C#N)[C@@H]1C1CC1 18037262 571767217 /nfs/dbraw/zinc/76/72/17/571767217.db2.gz ZURGDCQNCZNOTE-IUCAKERBSA-N 1 1 150.225 1.240 10 30 ADEEMO N#CC[C@@H]1CCC[N@H+]1C1CC1 17978971 571767522 /nfs/dbraw/zinc/76/75/22/571767522.db2.gz DEOKKUCLOQXLEH-QMMMGPOBSA-N 1 1 150.225 1.527 10 30 ADEEMO C[C@H](C#N)NCC[N@@H+](C)C1CCCC1 70945408 571767628 /nfs/dbraw/zinc/76/76/28/571767628.db2.gz YLGQILQHTNNWPF-SNVBAGLBSA-N 1 1 195.310 1.362 10 30 ADEEMO C[C@@H](C#N)NCC[N@@H+](C)C1CCCC1 70945405 571767799 /nfs/dbraw/zinc/76/77/99/571767799.db2.gz YLGQILQHTNNWPF-JTQLQIEISA-N 1 1 195.310 1.362 10 30 ADEEMO N#CCn1c[nH+]cc1C1CC1 18002081 571767910 /nfs/dbraw/zinc/76/79/10/571767910.db2.gz URIILMVPJANNJY-UHFFFAOYSA-N 1 1 147.181 1.284 10 30 ADEEMO C[N@H+]1CCc2ncc(CC#N)cc2C1 214490927 571771737 /nfs/dbraw/zinc/77/17/37/571771737.db2.gz QSGOILLUFRAGCU-UHFFFAOYSA-N 1 1 187.246 1.136 10 30 ADEEMO C[N@H+]1CC[C@H](C#N)[C@@H]1C1CC1 18037264 571769226 /nfs/dbraw/zinc/76/92/26/571769226.db2.gz ZURGDCQNCZNOTE-BDAKNGLRSA-N 1 1 150.225 1.240 10 30 ADEEMO N#CC[C@H]1CCC[N@H+]1C1CC1 17978973 571769346 /nfs/dbraw/zinc/76/93/46/571769346.db2.gz DEOKKUCLOQXLEH-MRVPVSSYSA-N 1 1 150.225 1.527 10 30 ADEEMO CC[N@@H+](CCC=O)C(C)(C)C 18684723 571769902 /nfs/dbraw/zinc/76/99/02/571769902.db2.gz OBGOOCBCEBUUAH-UHFFFAOYSA-N 1 1 157.257 1.696 10 30 ADEEMO CC#CCNCC[N@@H+](C)C1CCCC1 70945449 571769956 /nfs/dbraw/zinc/76/99/56/571769956.db2.gz CVUQMRFDJIFDOR-UHFFFAOYSA-N 1 1 194.322 1.474 10 30 ADEEMO CC#CC[NH2+]CCN(C)C1CCCC1 70945449 571769958 /nfs/dbraw/zinc/76/99/58/571769958.db2.gz CVUQMRFDJIFDOR-UHFFFAOYSA-N 1 1 194.322 1.474 10 30 ADEEMO C[N@H+]1CCc2c(CC#N)cncc2C1 214491012 571771100 /nfs/dbraw/zinc/77/11/00/571771100.db2.gz GEMKTKWCSUJGRH-UHFFFAOYSA-N 1 1 187.246 1.136 10 30 ADEEMO C#C[C@H](C)NC[C@H](C)[NH+]1CCCC1 229547201 571775932 /nfs/dbraw/zinc/77/59/32/571775932.db2.gz ODOPFOPNFWEQMZ-QWRGUYRKSA-N 1 1 180.295 1.082 10 30 ADEEMO N#CCCOCC[N@H+]1CC[C@H]2C[C@H]21 687800183 571775985 /nfs/dbraw/zinc/77/59/85/571775985.db2.gz DYIODDUNHRBCOW-VHSXEESVSA-N 1 1 180.251 1.011 10 30 ADEEMO CC[C@](C)(C#N)[NH+]1CCCC1 37355582 571776169 /nfs/dbraw/zinc/77/61/69/571776169.db2.gz IRPXTWUIXVDWIU-SECBINFHSA-N 1 1 152.241 1.774 10 30 ADEEMO N#CCCOCC[N@H+]1CC[C@@H]2C[C@@H]21 687800184 571776673 /nfs/dbraw/zinc/77/66/73/571776673.db2.gz DYIODDUNHRBCOW-ZJUUUORDSA-N 1 1 180.251 1.011 10 30 ADEEMO C#C[C@H]([NH2+]Cc1nccn1C)C(C)C 301007589 571776682 /nfs/dbraw/zinc/77/66/82/571776682.db2.gz YEFSFEMYSFPJLG-JTQLQIEISA-N 1 1 191.278 1.168 10 30 ADEEMO CC[C@@](C)(C#N)[NH+]1CCCC1 37355581 571776857 /nfs/dbraw/zinc/77/68/57/571776857.db2.gz IRPXTWUIXVDWIU-VIFPVBQESA-N 1 1 152.241 1.774 10 30 ADEEMO C[C@@](C#N)(C1CC1)[NH+]1CCCC1 37355482 571777689 /nfs/dbraw/zinc/77/76/89/571777689.db2.gz RGUJRGJJGITCDZ-SNVBAGLBSA-N 1 1 164.252 1.774 10 30 ADEEMO C[C@](C#N)(C1CC1)[NH+]1CCCC1 37355483 571777977 /nfs/dbraw/zinc/77/79/77/571777977.db2.gz RGUJRGJJGITCDZ-JTQLQIEISA-N 1 1 164.252 1.774 10 30 ADEEMO C=C[C@H](C)[N@H+](C)C[C@H](C)C(=O)OC 49613010 571778866 /nfs/dbraw/zinc/77/88/66/571778866.db2.gz BBGQSVDZYNFFSO-IUCAKERBSA-N 1 1 185.267 1.302 10 30 ADEEMO C#C[C@H]([NH2+]Cc1ncc[nH]1)C(C)C 301008135 571779162 /nfs/dbraw/zinc/77/91/62/571779162.db2.gz YGEJXPMMJLVCOF-VIFPVBQESA-N 1 1 177.251 1.157 10 30 ADEEMO C#C[C@@H](CC)[NH2+][C@@H](C)CC#N 233889193 571780496 /nfs/dbraw/zinc/78/04/96/571780496.db2.gz SKMDWMQYSWCKQJ-IUCAKERBSA-N 1 1 150.225 1.290 10 30 ADEEMO C#C[C@@H]([NH2+]Cc1ncc[nH]1)C(C)C 301008134 571780724 /nfs/dbraw/zinc/78/07/24/571780724.db2.gz YGEJXPMMJLVCOF-SECBINFHSA-N 1 1 177.251 1.157 10 30 ADEEMO N#CCCC[NH+]1CC(C(F)F)C1 687721917 571781832 /nfs/dbraw/zinc/78/18/32/571781832.db2.gz FWHVMZZYVBSVJL-UHFFFAOYSA-N 1 1 174.194 1.487 10 30 ADEEMO C[C@]1(O)CC[N@@H+](CCCCS)C1 235714094 571784198 /nfs/dbraw/zinc/78/41/98/571784198.db2.gz QQIHZDGBDOZTHA-VIFPVBQESA-N 1 1 189.324 1.153 10 30 ADEEMO CC[C@H](C)O[C@H](C)C[C@@](C)([NH3+])C#N 687800997 571784214 /nfs/dbraw/zinc/78/42/14/571784214.db2.gz XJTUPLBZUVNQFI-IVZWLZJFSA-N 1 1 184.283 1.821 10 30 ADEEMO CC[C@H](C)O[C@@H](C)C[C@@](C)([NH3+])C#N 687800998 571784271 /nfs/dbraw/zinc/78/42/71/571784271.db2.gz XJTUPLBZUVNQFI-LPEHRKFASA-N 1 1 184.283 1.821 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@H+]1CCCC1(C)C 301013084 571784703 /nfs/dbraw/zinc/78/47/03/571784703.db2.gz GVQMGNYLROKEAK-SECBINFHSA-N 1 1 197.278 1.588 10 30 ADEEMO C=C[C@@H](C(=O)OC)[N@H+]1CCCC1(C)C 301013085 571785313 /nfs/dbraw/zinc/78/53/13/571785313.db2.gz GVQMGNYLROKEAK-VIFPVBQESA-N 1 1 197.278 1.588 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@H]1CC 301012535 571785948 /nfs/dbraw/zinc/78/59/48/571785948.db2.gz GRQGLIUYRLCNHH-VHSXEESVSA-N 1 1 197.278 1.588 10 30 ADEEMO CCc1ccc(CN/C(N)=[NH+]/O)cc1 234156849 571786723 /nfs/dbraw/zinc/78/67/23/571786723.db2.gz MELWCCPWZXBYBX-UHFFFAOYSA-N 1 1 193.250 1.043 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H]1CC 301012533 571786748 /nfs/dbraw/zinc/78/67/48/571786748.db2.gz GRQGLIUYRLCNHH-NXEZZACHSA-N 1 1 197.278 1.588 10 30 ADEEMO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@H]1CC 301012536 571786923 /nfs/dbraw/zinc/78/69/23/571786923.db2.gz GRQGLIUYRLCNHH-ZJUUUORDSA-N 1 1 197.278 1.588 10 30 ADEEMO C=C(C)CC[NH2+][C@@H](CC)C(=O)OCC 386827084 571787688 /nfs/dbraw/zinc/78/76/88/571787688.db2.gz VEIPKGTUMATMLO-JTQLQIEISA-N 1 1 199.294 1.884 10 30 ADEEMO C#CCCN1[C@@H](C)C[N@@H+](C)C[C@H]1C 687801401 571788780 /nfs/dbraw/zinc/78/87/80/571788780.db2.gz NWLCSSFZCUVMJO-PHIMTYICSA-N 1 1 180.295 1.034 10 30 ADEEMO C#CCCN1[C@H](C)C[NH+](C)C[C@H]1C 687801400 571788676 /nfs/dbraw/zinc/78/86/76/571788676.db2.gz NWLCSSFZCUVMJO-GHMZBOCLSA-N 1 1 180.295 1.034 10 30 ADEEMO C=C(C)C[N@H+]1CCCC[C@H](CO)C1 687801363 571788706 /nfs/dbraw/zinc/78/87/06/571788706.db2.gz WQQQDWSJVULLNP-NSHDSACASA-N 1 1 183.295 1.657 10 30 ADEEMO C#CCC[N@H+]1[C@@H](C)CN(C)C[C@H]1C 687801401 571788771 /nfs/dbraw/zinc/78/87/71/571788771.db2.gz NWLCSSFZCUVMJO-PHIMTYICSA-N 1 1 180.295 1.034 10 30 ADEEMO C#CCCN1[C@@H](C)C[N@H+](C)C[C@H]1C 687801401 571788777 /nfs/dbraw/zinc/78/87/77/571788777.db2.gz NWLCSSFZCUVMJO-PHIMTYICSA-N 1 1 180.295 1.034 10 30 ADEEMO C#CCCN1[C@@H](C)C[NH+](C)C[C@@H]1C 687801402 571788825 /nfs/dbraw/zinc/78/88/25/571788825.db2.gz NWLCSSFZCUVMJO-QWRGUYRKSA-N 1 1 180.295 1.034 10 30 ADEEMO C=C(C)C[N@H+]1CCCC[C@@H](CO)C1 687801362 571789325 /nfs/dbraw/zinc/78/93/25/571789325.db2.gz WQQQDWSJVULLNP-LLVKDONJSA-N 1 1 183.295 1.657 10 30 ADEEMO C=C(C)CN1CCCn2cc[nH+]c21 687801361 571789774 /nfs/dbraw/zinc/78/97/74/571789774.db2.gz SRGCIRBDYGOWTF-UHFFFAOYSA-N 1 1 177.251 1.669 10 30 ADEEMO C#CCCN(C)[C@@H]1CC[N@H+](CC)C1 687801148 571790664 /nfs/dbraw/zinc/79/06/64/571790664.db2.gz VRCVZXPOKAVJPV-LLVKDONJSA-N 1 1 180.295 1.036 10 30 ADEEMO C#CCC[N@@H+](C)[C@@H]1CCN(CC)C1 687801148 571790667 /nfs/dbraw/zinc/79/06/67/571790667.db2.gz VRCVZXPOKAVJPV-LLVKDONJSA-N 1 1 180.295 1.036 10 30 ADEEMO C#CCC[N@H+](C)[C@@H]1CCN(CC)C1 687801148 571790670 /nfs/dbraw/zinc/79/06/70/571790670.db2.gz VRCVZXPOKAVJPV-LLVKDONJSA-N 1 1 180.295 1.036 10 30 ADEEMO CCCC(=O)C1=CCC[N@@H+](C)C1 27638220 571790311 /nfs/dbraw/zinc/79/03/11/571790311.db2.gz XBRAWZJCSJXARS-UHFFFAOYSA-N 1 1 167.252 1.618 10 30 ADEEMO CC#CC[N@@H+](CC(C)(C)O)C(C)C 687801103 571791158 /nfs/dbraw/zinc/79/11/58/571791158.db2.gz LSJFRZCCYGCGBK-UHFFFAOYSA-N 1 1 183.295 1.491 10 30 ADEEMO CCC[N@@H+](CCO)[C@@H]1CCC[C@H]1C#N 249984674 571791300 /nfs/dbraw/zinc/79/13/00/571791300.db2.gz MQLCQSPBDVNOCH-WDEREUQCSA-N 1 1 196.294 1.383 10 30 ADEEMO C#CCCN(C)[C@H]1CC[N@H+](CC)C1 687801149 571791564 /nfs/dbraw/zinc/79/15/64/571791564.db2.gz VRCVZXPOKAVJPV-NSHDSACASA-N 1 1 180.295 1.036 10 30 ADEEMO C#CCC[N@@H+](C)[C@H]1CCN(CC)C1 687801149 571791568 /nfs/dbraw/zinc/79/15/68/571791568.db2.gz VRCVZXPOKAVJPV-NSHDSACASA-N 1 1 180.295 1.036 10 30 ADEEMO C#CCC[N@H+](C)[C@H]1CCN(CC)C1 687801149 571791572 /nfs/dbraw/zinc/79/15/72/571791572.db2.gz VRCVZXPOKAVJPV-NSHDSACASA-N 1 1 180.295 1.036 10 30 ADEEMO CC[N@H+](C[C@@H]1CCCO1)[C@H](C)CC#N 249807238 571791824 /nfs/dbraw/zinc/79/18/24/571791824.db2.gz FRNGLYKZOJBKLT-MNOVXSKESA-N 1 1 196.294 1.789 10 30 ADEEMO CC[N@@H+](C[C@@H]1CCCO1)[C@H](C)CC#N 249807238 571791828 /nfs/dbraw/zinc/79/18/28/571791828.db2.gz FRNGLYKZOJBKLT-MNOVXSKESA-N 1 1 196.294 1.789 10 30 ADEEMO CC[N@@H+](CCOC)[C@H]1CCC[C@H]1C#N 249703903 571795433 /nfs/dbraw/zinc/79/54/33/571795433.db2.gz GFKNAKPFXXVMCJ-QWRGUYRKSA-N 1 1 196.294 1.647 10 30 ADEEMO COCC[N@@H+](C)[C@H]1CCCC[C@H]1C#N 249953015 571793192 /nfs/dbraw/zinc/79/31/92/571793192.db2.gz AOPOCSATLVSMBN-QWRGUYRKSA-N 1 1 196.294 1.647 10 30 ADEEMO CCCC[N@@H+](C[C@H](N)C#N)[C@H](C)CC 249788029 571793252 /nfs/dbraw/zinc/79/32/52/571793252.db2.gz IQMVVECMXHRZOV-GHMZBOCLSA-N 1 1 197.326 1.738 10 30 ADEEMO CC[N@@H+](CCOC)[C@@H]1CCC[C@H]1C#N 249703904 571793495 /nfs/dbraw/zinc/79/34/95/571793495.db2.gz GFKNAKPFXXVMCJ-WDEREUQCSA-N 1 1 196.294 1.647 10 30 ADEEMO CCCC[N@@H+](C[C@@H](N)C#N)[C@H](C)CC 249788032 571793807 /nfs/dbraw/zinc/79/38/07/571793807.db2.gz IQMVVECMXHRZOV-MNOVXSKESA-N 1 1 197.326 1.738 10 30 ADEEMO C=CC[NH2+][C@@H]1C(=O)Nc2ccccc21 19875779 571793821 /nfs/dbraw/zinc/79/38/21/571793821.db2.gz IIIAKAAVIDROGJ-JTQLQIEISA-N 1 1 188.230 1.455 10 30 ADEEMO CCC(=O)C1=CCC[N@@H+](C)C1 27650316 571794868 /nfs/dbraw/zinc/79/48/68/571794868.db2.gz RHYPCHMNNLGAHN-UHFFFAOYSA-N 1 1 153.225 1.227 10 30 ADEEMO CCCO[C@@H]1CCC[N@@H+](C[C@H]2CO2)C1 249793007 571794932 /nfs/dbraw/zinc/79/49/32/571794932.db2.gz OOOPPCZPKBTSBV-MNOVXSKESA-N 1 1 199.294 1.276 10 30 ADEEMO CCO[C@@H]1CCC[N@@H+]([C@H](C)CC#N)C1 250494182 571794988 /nfs/dbraw/zinc/79/49/88/571794988.db2.gz JHASXDOPTZUFNE-GHMZBOCLSA-N 1 1 196.294 1.789 10 30 ADEEMO CCO[C@@H]1CCC[N@H+]([C@H](C)CC#N)C1 250494182 571794989 /nfs/dbraw/zinc/79/49/89/571794989.db2.gz JHASXDOPTZUFNE-GHMZBOCLSA-N 1 1 196.294 1.789 10 30 ADEEMO C#CCC[N@@H+]1C[C@@H](CO)CC[C@H]1C 687801310 571795160 /nfs/dbraw/zinc/79/51/60/571795160.db2.gz FRZRNIZBKSQHEI-MNOVXSKESA-N 1 1 181.279 1.103 10 30 ADEEMO COCC[N@@H+](C)[C@@H]1CCCC[C@H]1C#N 249953021 571795250 /nfs/dbraw/zinc/79/52/50/571795250.db2.gz AOPOCSATLVSMBN-WDEREUQCSA-N 1 1 196.294 1.647 10 30 ADEEMO C#CCC[N@@H+]1C[C@H](CO)CC[C@H]1C 687801309 571795679 /nfs/dbraw/zinc/79/56/79/571795679.db2.gz FRZRNIZBKSQHEI-GHMZBOCLSA-N 1 1 181.279 1.103 10 30 ADEEMO C#CCC[N@@H+]1C[C@@H](CO)CC[C@@H]1C 687801311 571795868 /nfs/dbraw/zinc/79/58/68/571795868.db2.gz FRZRNIZBKSQHEI-QWRGUYRKSA-N 1 1 181.279 1.103 10 30 ADEEMO C#CCC[N@@H+]1C[C@H](CO)CC[C@@H]1C 687801312 571796377 /nfs/dbraw/zinc/79/63/77/571796377.db2.gz FRZRNIZBKSQHEI-WDEREUQCSA-N 1 1 181.279 1.103 10 30 ADEEMO CC(C)[N@H+]1CC[C@@H](CN[C@H](C)C#N)C1 250498456 571796623 /nfs/dbraw/zinc/79/66/23/571796623.db2.gz KAWXHAWZSZKZPO-MNOVXSKESA-N 1 1 195.310 1.218 10 30 ADEEMO CCO[C@H]1CCC[N@@H+]([C@H](C)CC#N)C1 250494184 571796710 /nfs/dbraw/zinc/79/67/10/571796710.db2.gz JHASXDOPTZUFNE-MNOVXSKESA-N 1 1 196.294 1.789 10 30 ADEEMO CCO[C@H]1CCC[N@H+]([C@H](C)CC#N)C1 250494184 571796721 /nfs/dbraw/zinc/79/67/21/571796721.db2.gz JHASXDOPTZUFNE-MNOVXSKESA-N 1 1 196.294 1.789 10 30 ADEEMO CC[N@H+]([C@H](C)CC#N)[C@H](C)COC 249892614 571796851 /nfs/dbraw/zinc/79/68/51/571796851.db2.gz DRKKIEFRXBIBLG-NXEZZACHSA-N 1 1 184.283 1.645 10 30 ADEEMO CC[N@H+](C[C@H]1CCCO1)[C@H](C)CC#N 249807234 571796873 /nfs/dbraw/zinc/79/68/73/571796873.db2.gz FRNGLYKZOJBKLT-GHMZBOCLSA-N 1 1 196.294 1.789 10 30 ADEEMO CC[N@@H+](C[C@H]1CCCO1)[C@H](C)CC#N 249807234 571796874 /nfs/dbraw/zinc/79/68/74/571796874.db2.gz FRNGLYKZOJBKLT-GHMZBOCLSA-N 1 1 196.294 1.789 10 30 ADEEMO CCCO[C@H]1CCC[N@@H+](C[C@H]2CO2)C1 249793010 571797074 /nfs/dbraw/zinc/79/70/74/571797074.db2.gz OOOPPCZPKBTSBV-QWRGUYRKSA-N 1 1 199.294 1.276 10 30 ADEEMO C=C[C@@H](C(=O)OC)[N@H+](C)CC1CCC1 301019286 571798308 /nfs/dbraw/zinc/79/83/08/571798308.db2.gz JHNRPYKOAPLISC-JTQLQIEISA-N 1 1 197.278 1.446 10 30 ADEEMO C=C[C@@H](C(=O)OC)[N@@H+](C)CC1CCC1 301019286 571798311 /nfs/dbraw/zinc/79/83/11/571798311.db2.gz JHNRPYKOAPLISC-JTQLQIEISA-N 1 1 197.278 1.446 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@H+](C)CC1CCC1 301019287 571798387 /nfs/dbraw/zinc/79/83/87/571798387.db2.gz JHNRPYKOAPLISC-SNVBAGLBSA-N 1 1 197.278 1.446 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@@H+](C)CC1CCC1 301019287 571798391 /nfs/dbraw/zinc/79/83/91/571798391.db2.gz JHNRPYKOAPLISC-SNVBAGLBSA-N 1 1 197.278 1.446 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCC[C@H]1C(=O)OCC 250706866 571799019 /nfs/dbraw/zinc/79/90/19/571799019.db2.gz WQVYHMUOZYTWNU-ZJUUUORDSA-N 1 1 197.278 1.588 10 30 ADEEMO C=C[C@@H](C)[N@@H+]1CCC[C@H]1C(=O)OCC 250706866 571799021 /nfs/dbraw/zinc/79/90/21/571799021.db2.gz WQVYHMUOZYTWNU-ZJUUUORDSA-N 1 1 197.278 1.588 10 30 ADEEMO CSC[C@@H]1CCC[N@H+]1CCC=O 400013229 571799105 /nfs/dbraw/zinc/79/91/05/571799105.db2.gz XOUIQIOLAJCWCG-VIFPVBQESA-N 1 1 187.308 1.403 10 30 ADEEMO CSC[C@H]1CCC[N@H+]1CCC=O 400013228 571799566 /nfs/dbraw/zinc/79/95/66/571799566.db2.gz XOUIQIOLAJCWCG-SECBINFHSA-N 1 1 187.308 1.403 10 30 ADEEMO CCO[C@H]1CCC[N@H+](C[C@H](C)C#N)C1 250580829 571800130 /nfs/dbraw/zinc/80/01/30/571800130.db2.gz YGXWOOOOGMRBHE-MNOVXSKESA-N 1 1 196.294 1.647 10 30 ADEEMO CCO[C@H]1CCC[N@@H+](C[C@H](C)C#N)C1 250580829 571800135 /nfs/dbraw/zinc/80/01/35/571800135.db2.gz YGXWOOOOGMRBHE-MNOVXSKESA-N 1 1 196.294 1.647 10 30 ADEEMO C=C[C@@H](C(=O)OC)[N@@H+](C)[C@@H](C)CC 301021675 571801033 /nfs/dbraw/zinc/80/10/33/571801033.db2.gz KKQPBGOMMRNZME-IUCAKERBSA-N 1 1 185.267 1.444 10 30 ADEEMO C=C[C@@H](C(=O)OC)[N@H+](C)[C@@H](C)CC 301021675 571801035 /nfs/dbraw/zinc/80/10/35/571801035.db2.gz KKQPBGOMMRNZME-IUCAKERBSA-N 1 1 185.267 1.444 10 30 ADEEMO CCO[C@@H]1CCC[N@H+](C[C@H](C)C#N)C1 250580826 571801079 /nfs/dbraw/zinc/80/10/79/571801079.db2.gz YGXWOOOOGMRBHE-GHMZBOCLSA-N 1 1 196.294 1.647 10 30 ADEEMO CCO[C@@H]1CCC[N@@H+](C[C@H](C)C#N)C1 250580826 571801081 /nfs/dbraw/zinc/80/10/81/571801081.db2.gz YGXWOOOOGMRBHE-GHMZBOCLSA-N 1 1 196.294 1.647 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@@H+](C)[C@@H](C)CC 301021674 571801871 /nfs/dbraw/zinc/80/18/71/571801871.db2.gz KKQPBGOMMRNZME-DTWKUNHWSA-N 1 1 185.267 1.444 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@H+](C)[C@@H](C)CC 301021674 571801876 /nfs/dbraw/zinc/80/18/76/571801876.db2.gz KKQPBGOMMRNZME-DTWKUNHWSA-N 1 1 185.267 1.444 10 30 ADEEMO C=C[C@@H](C(=O)OC)[N@@H+](C)C(CC)CC 301021619 571802089 /nfs/dbraw/zinc/80/20/89/571802089.db2.gz KJYOPJQLXLJJGR-JTQLQIEISA-N 1 1 199.294 1.834 10 30 ADEEMO C=C[C@@H](C(=O)OC)[N@H+](C)C(CC)CC 301021619 571802092 /nfs/dbraw/zinc/80/20/92/571802092.db2.gz KJYOPJQLXLJJGR-JTQLQIEISA-N 1 1 199.294 1.834 10 30 ADEEMO N#C[C@H]1C[N@H+]2CCCCC[C@@H]12 21034465 571802802 /nfs/dbraw/zinc/80/28/02/571802802.db2.gz FEEAQPMWQKYASB-IUCAKERBSA-N 1 1 150.225 1.384 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@@H+](C)C(CC)CC 301021622 571803004 /nfs/dbraw/zinc/80/30/04/571803004.db2.gz KJYOPJQLXLJJGR-SNVBAGLBSA-N 1 1 199.294 1.834 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@H+](C)C(CC)CC 301021622 571803008 /nfs/dbraw/zinc/80/30/08/571803008.db2.gz KJYOPJQLXLJJGR-SNVBAGLBSA-N 1 1 199.294 1.834 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@@H+](C)[C@H](C)CC 301021676 571803077 /nfs/dbraw/zinc/80/30/77/571803077.db2.gz KKQPBGOMMRNZME-RKDXNWHRSA-N 1 1 185.267 1.444 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@H+](C)[C@H](C)CC 301021676 571803082 /nfs/dbraw/zinc/80/30/82/571803082.db2.gz KKQPBGOMMRNZME-RKDXNWHRSA-N 1 1 185.267 1.444 10 30 ADEEMO C#CCNC[C@@H](C)[N@@H+](C)[C@H](C)C1CC1 251063826 571803133 /nfs/dbraw/zinc/80/31/33/571803133.db2.gz CTFUKZWINMLKEY-GHMZBOCLSA-N 1 1 194.322 1.328 10 30 ADEEMO C#CC[NH2+]C[C@@H](C)N(C)[C@H](C)C1CC1 251063826 571803136 /nfs/dbraw/zinc/80/31/36/571803136.db2.gz CTFUKZWINMLKEY-GHMZBOCLSA-N 1 1 194.322 1.328 10 30 ADEEMO C[C@H](C[NH2+][C@H]1CCC[C@H]1C#N)N(C)C 251127817 571803473 /nfs/dbraw/zinc/80/34/73/571803473.db2.gz STJUKPPDCLHNBO-VWYCJHECSA-N 1 1 195.310 1.218 10 30 ADEEMO C[C@@H]([N@@H+](C)C[C@H]1CO1)C(C)(C)C 251069819 571803741 /nfs/dbraw/zinc/80/37/41/571803741.db2.gz SDXULFJXGYLCCQ-BDAKNGLRSA-N 1 1 171.284 1.752 10 30 ADEEMO N#C[C@@H]1C[N@H+]2CCCCC[C@@H]12 21034458 571804593 /nfs/dbraw/zinc/80/45/93/571804593.db2.gz FEEAQPMWQKYASB-BDAKNGLRSA-N 1 1 150.225 1.384 10 30 ADEEMO CCC[N@H+]1CCC[C@@H](S)C1 73652339 571804708 /nfs/dbraw/zinc/80/47/08/571804708.db2.gz QCBHBXZBOVQIDA-MRVPVSSYSA-N 1 1 159.298 1.791 10 30 ADEEMO COC[C@H](C)[N@@H+](C)[C@H]1CCC[C@@H]1C#N 250965155 571804783 /nfs/dbraw/zinc/80/47/83/571804783.db2.gz BPSSPONKHHFBRA-AXFHLTTASA-N 1 1 196.294 1.645 10 30 ADEEMO COC[C@H](C)[N@@H+](C)[C@@H]1CCC[C@H]1C#N 250965160 571804803 /nfs/dbraw/zinc/80/48/03/571804803.db2.gz BPSSPONKHHFBRA-GARJFASQSA-N 1 1 196.294 1.645 10 30 ADEEMO C[C@@H](C#N)C[N@H+]1CCCC[C@H]1CCO 251116102 571805069 /nfs/dbraw/zinc/80/50/69/571805069.db2.gz PYOCVNIGBASJPQ-QWRGUYRKSA-N 1 1 196.294 1.383 10 30 ADEEMO C[C@@H](C#N)C[N@H+]1CCC[C@H]1CCCO 251143222 571805146 /nfs/dbraw/zinc/80/51/46/571805146.db2.gz WUBQWNOYSKBHOG-QWRGUYRKSA-N 1 1 196.294 1.383 10 30 ADEEMO C[C@H](C#N)C[N@H+]1CCCC[C@H]1CCO 251116101 571805160 /nfs/dbraw/zinc/80/51/60/571805160.db2.gz PYOCVNIGBASJPQ-MNOVXSKESA-N 1 1 196.294 1.383 10 30 ADEEMO C=CCNC[C@H](C)[N@H+](C)[C@H](C)C1CC1 251011894 571805514 /nfs/dbraw/zinc/80/55/14/571805514.db2.gz UUJCDQFBLMXTIG-WDEREUQCSA-N 1 1 196.338 1.881 10 30 ADEEMO C=CCNC[C@H](C)[N@@H+](C)[C@H](C)C1CC1 251011894 571805516 /nfs/dbraw/zinc/80/55/16/571805516.db2.gz UUJCDQFBLMXTIG-WDEREUQCSA-N 1 1 196.338 1.881 10 30 ADEEMO COC[C@H](C)[N@@H+](C)[C@H]1CCC[C@H]1C#N 250965157 571806075 /nfs/dbraw/zinc/80/60/75/571806075.db2.gz BPSSPONKHHFBRA-DCAQKATOSA-N 1 1 196.294 1.645 10 30 ADEEMO CCC[N@H+]1CCC[C@H](S)C1 73652336 571806448 /nfs/dbraw/zinc/80/64/48/571806448.db2.gz QCBHBXZBOVQIDA-QMMMGPOBSA-N 1 1 159.298 1.791 10 30 ADEEMO C=CCNC[C@@H](C)[N@H+](C)[C@H](C)C1CC1 251011893 571806627 /nfs/dbraw/zinc/80/66/27/571806627.db2.gz UUJCDQFBLMXTIG-GHMZBOCLSA-N 1 1 196.338 1.881 10 30 ADEEMO C=CCNC[C@@H](C)[N@@H+](C)[C@H](C)C1CC1 251011893 571806632 /nfs/dbraw/zinc/80/66/32/571806632.db2.gz UUJCDQFBLMXTIG-GHMZBOCLSA-N 1 1 196.338 1.881 10 30 ADEEMO C[C@H](C[NH2+][C@@H]1CCC[C@H]1C#N)N(C)C 251127814 571806761 /nfs/dbraw/zinc/80/67/61/571806761.db2.gz STJUKPPDCLHNBO-OUAUKWLOSA-N 1 1 195.310 1.218 10 30 ADEEMO S[C@@H]1CCC[N@H+](C2CC2)C1 73653338 571807673 /nfs/dbraw/zinc/80/76/73/571807673.db2.gz PDJRQRKQUHNTDL-MRVPVSSYSA-N 1 1 157.282 1.543 10 30 ADEEMO CC[C@](C)(C=O)C[N@H+]1CCC[C@H]1CO 251268913 571808078 /nfs/dbraw/zinc/80/80/78/571808078.db2.gz MIUNUZATQYVEQS-QWRGUYRKSA-N 1 1 199.294 1.058 10 30 ADEEMO C[C@@H](CC#N)[N@H+]1CCC[C@H]1CCCO 251485962 571808759 /nfs/dbraw/zinc/80/87/59/571808759.db2.gz GDCOLGWNMOHXOM-QWRGUYRKSA-N 1 1 196.294 1.525 10 30 ADEEMO C[C@H]([N@@H+](C)C[C@H]1CO1)C(C)(C)C 251069821 571808767 /nfs/dbraw/zinc/80/87/67/571808767.db2.gz SDXULFJXGYLCCQ-IUCAKERBSA-N 1 1 171.284 1.752 10 30 ADEEMO C[C@H](CC#N)[N@H+]1CCC[C@H]1CCCO 251485959 571808989 /nfs/dbraw/zinc/80/89/89/571808989.db2.gz GDCOLGWNMOHXOM-MNOVXSKESA-N 1 1 196.294 1.525 10 30 ADEEMO CC[C@@](C)(C=O)C[N@H+]1CCC[C@H]1CO 251268915 571812188 /nfs/dbraw/zinc/81/21/88/571812188.db2.gz MIUNUZATQYVEQS-WDEREUQCSA-N 1 1 199.294 1.058 10 30 ADEEMO COC(=O)C[C@@H](C)[N@H+](C)C[C@H](C)C#N 251489681 571810016 /nfs/dbraw/zinc/81/00/16/571810016.db2.gz GLIWEVXDRVQHOI-RKDXNWHRSA-N 1 1 198.266 1.029 10 30 ADEEMO COC(=O)C[C@@H](C)[N@@H+](C)C[C@H](C)C#N 251489681 571810018 /nfs/dbraw/zinc/81/00/18/571810018.db2.gz GLIWEVXDRVQHOI-RKDXNWHRSA-N 1 1 198.266 1.029 10 30 ADEEMO COC(=O)C[C@H](C)[N@H+](C)C[C@H](C)C#N 251489680 571810713 /nfs/dbraw/zinc/81/07/13/571810713.db2.gz GLIWEVXDRVQHOI-BDAKNGLRSA-N 1 1 198.266 1.029 10 30 ADEEMO COC(=O)C[C@H](C)[N@@H+](C)C[C@H](C)C#N 251489680 571810715 /nfs/dbraw/zinc/81/07/15/571810715.db2.gz GLIWEVXDRVQHOI-BDAKNGLRSA-N 1 1 198.266 1.029 10 30 ADEEMO C[C@H](C#N)C[N@@H+](C)[C@H](C)C1CC1 251072087 571810883 /nfs/dbraw/zinc/81/08/83/571810883.db2.gz FOPLFXLYMPWUNB-RKDXNWHRSA-N 1 1 166.268 1.876 10 30 ADEEMO SC/C=C\C[N@H+]1CCC2(CC2)C1 400017713 571811235 /nfs/dbraw/zinc/81/12/35/571811235.db2.gz AOKBEFYHFSAOHD-UPHRSURJSA-N 1 1 183.320 1.958 10 30 ADEEMO C[C@@H](C#N)C[N@@H+](C)[C@H](C)C1CC1 251072084 571811482 /nfs/dbraw/zinc/81/14/82/571811482.db2.gz FOPLFXLYMPWUNB-DTWKUNHWSA-N 1 1 166.268 1.876 10 30 ADEEMO CN[C@@H](C#N)CC[N@@H+](C)[C@H](C)C(C)C 251269540 571811520 /nfs/dbraw/zinc/81/15/20/571811520.db2.gz BMTMHXYQSWGBIL-GHMZBOCLSA-N 1 1 197.326 1.464 10 30 ADEEMO C=C(CNC)C[N@@H+]1CC[C@H](C2CC2)C1 400018481 571812537 /nfs/dbraw/zinc/81/25/37/571812537.db2.gz AVJKMGYSFVBTIO-LBPRGKRZSA-N 1 1 194.322 1.494 10 30 ADEEMO C=C(CNC)C[N@H+]1CC[C@H](C2CC2)C1 400018481 571812541 /nfs/dbraw/zinc/81/25/41/571812541.db2.gz AVJKMGYSFVBTIO-LBPRGKRZSA-N 1 1 194.322 1.494 10 30 ADEEMO C/[NH+]=C/c1ccc(O)c(O)c1 3638492 571813094 /nfs/dbraw/zinc/81/30/94/571813094.db2.gz XQPDFCWIXXWPOF-WEVVVXLNSA-N 1 1 151.165 1.147 10 30 ADEEMO CN[C@@H](C#N)CC[N@@H+](C)[C@H](C)C1CC1 251440767 571813232 /nfs/dbraw/zinc/81/32/32/571813232.db2.gz ATCFCNSLWXXHPN-MWLCHTKSSA-N 1 1 195.310 1.218 10 30 ADEEMO C=C(CNC)C[N@@H+]1CC[C@@H](C2CC2)C1 400018476 571813348 /nfs/dbraw/zinc/81/33/48/571813348.db2.gz AVJKMGYSFVBTIO-GFCCVEGCSA-N 1 1 194.322 1.494 10 30 ADEEMO C=C(CNC)C[N@H+]1CC[C@@H](C2CC2)C1 400018476 571813352 /nfs/dbraw/zinc/81/33/52/571813352.db2.gz AVJKMGYSFVBTIO-GFCCVEGCSA-N 1 1 194.322 1.494 10 30 ADEEMO Cc1cn2c(C)c(CC#N)n(C)c2[nH+]1 214524447 571813775 /nfs/dbraw/zinc/81/37/75/571813775.db2.gz GHWPLQBVILTXKO-UHFFFAOYSA-N 1 1 188.234 1.356 10 30 ADEEMO CC[C@@H](CC#N)[N@H+](C)C[C@H]1CCCO1 251384242 571813839 /nfs/dbraw/zinc/81/38/39/571813839.db2.gz UKKCHDUTUBRQQT-WDEREUQCSA-N 1 1 196.294 1.789 10 30 ADEEMO CC[C@@H](CC#N)[N@@H+](C)C[C@H]1CCCO1 251384242 571813843 /nfs/dbraw/zinc/81/38/43/571813843.db2.gz UKKCHDUTUBRQQT-WDEREUQCSA-N 1 1 196.294 1.789 10 30 ADEEMO C#CCNC[C@@H](C)[N@H+](C)[C@H](C)CCC 251397933 571813858 /nfs/dbraw/zinc/81/38/58/571813858.db2.gz ZFXXXLZUEIJGLO-VXGBXAGGSA-N 1 1 196.338 1.718 10 30 ADEEMO C#CC[NH2+]C[C@@H](C)N(C)[C@H](C)CCC 251397933 571813862 /nfs/dbraw/zinc/81/38/62/571813862.db2.gz ZFXXXLZUEIJGLO-VXGBXAGGSA-N 1 1 196.338 1.718 10 30 ADEEMO CC(C)C[C@H](C)[N@@H+](C)C[C@H]1CO1 251379437 571813988 /nfs/dbraw/zinc/81/39/88/571813988.db2.gz HFKSZNIRNZTLCV-UWVGGRQHSA-N 1 1 171.284 1.752 10 30 ADEEMO CC[C@H](CC#N)[N@@H+](C)[C@H](C)COC 251293839 571814098 /nfs/dbraw/zinc/81/40/98/571814098.db2.gz AGOLCACREZIQTC-NXEZZACHSA-N 1 1 184.283 1.645 10 30 ADEEMO CC[C@H](CC#N)[N@H+](C)C[C@H]1CCCO1 251384239 571814279 /nfs/dbraw/zinc/81/42/79/571814279.db2.gz UKKCHDUTUBRQQT-GHMZBOCLSA-N 1 1 196.294 1.789 10 30 ADEEMO CC[C@H](CC#N)[N@@H+](C)C[C@H]1CCCO1 251384239 571814281 /nfs/dbraw/zinc/81/42/81/571814281.db2.gz UKKCHDUTUBRQQT-GHMZBOCLSA-N 1 1 196.294 1.789 10 30 ADEEMO C#CCNC[C@@H](C)[N@H+](C)[C@H](C)C(C)C 251382646 571815060 /nfs/dbraw/zinc/81/50/60/571815060.db2.gz ZNLNENPWTYJQNE-VXGBXAGGSA-N 1 1 196.338 1.574 10 30 ADEEMO CC[C@@H](CC#N)[N@H+]1CCCC[C@H]1CO 251317688 571815597 /nfs/dbraw/zinc/81/55/97/571815597.db2.gz GDWYUJPDUCRAAM-QWRGUYRKSA-N 1 1 196.294 1.525 10 30 ADEEMO CC[C@H](CC#N)[N@H+]1CCCC[C@H]1CO 251317684 571815661 /nfs/dbraw/zinc/81/56/61/571815661.db2.gz GDWYUJPDUCRAAM-MNOVXSKESA-N 1 1 196.294 1.525 10 30 ADEEMO CC[C@@](C)(C=O)C[N@H+]1CCOC[C@H]1C 251320044 571815758 /nfs/dbraw/zinc/81/57/58/571815758.db2.gz VDUYHQVIRCPQCP-GHMZBOCLSA-N 1 1 199.294 1.322 10 30 ADEEMO COC[C@@H](C)[N@H+](C)[C@H](C)CC#N 251440880 571816035 /nfs/dbraw/zinc/81/60/35/571816035.db2.gz ATUQSNKDBMAPQE-RKDXNWHRSA-N 1 1 170.256 1.255 10 30 ADEEMO COC[C@@H](C)[N@@H+](C)[C@H](C)CC#N 251440880 571816038 /nfs/dbraw/zinc/81/60/38/571816038.db2.gz ATUQSNKDBMAPQE-RKDXNWHRSA-N 1 1 170.256 1.255 10 30 ADEEMO CC[C@](C)(C=O)C[N@H+]1CCOC[C@H]1C 251320046 571816239 /nfs/dbraw/zinc/81/62/39/571816239.db2.gz VDUYHQVIRCPQCP-MNOVXSKESA-N 1 1 199.294 1.322 10 30 ADEEMO CC(C)C[C@@H](C)[N@@H+](C)C[C@H]1CO1 251379441 571816996 /nfs/dbraw/zinc/81/69/96/571816996.db2.gz HFKSZNIRNZTLCV-ZJUUUORDSA-N 1 1 171.284 1.752 10 30 ADEEMO CN[C@@](C)(C#N)C[N@H+](C)[C@H](C)C(C)C 251380567 571817108 /nfs/dbraw/zinc/81/71/08/571817108.db2.gz ZFEUGUVJUAUSSR-MNOVXSKESA-N 1 1 197.326 1.464 10 30 ADEEMO CN[C@@](C)(C#N)C[N@@H+](C)[C@H](C)C(C)C 251380567 571817112 /nfs/dbraw/zinc/81/71/12/571817112.db2.gz ZFEUGUVJUAUSSR-MNOVXSKESA-N 1 1 197.326 1.464 10 30 ADEEMO CC[C@@H](CC#N)[N@@H+](C)[C@H](C)COC 251293840 571817231 /nfs/dbraw/zinc/81/72/31/571817231.db2.gz AGOLCACREZIQTC-ZJUUUORDSA-N 1 1 184.283 1.645 10 30 ADEEMO C#CCNC[C@@H](C)[N@H+](C)[C@H](C)CC 251754321 571821605 /nfs/dbraw/zinc/82/16/05/571821605.db2.gz HDXAHIXFWHLTAL-GHMZBOCLSA-N 1 1 182.311 1.328 10 30 ADEEMO C#CC[NH2+]C[C@@H](C)N(C)[C@H](C)CC 251754321 571821607 /nfs/dbraw/zinc/82/16/07/571821607.db2.gz HDXAHIXFWHLTAL-GHMZBOCLSA-N 1 1 182.311 1.328 10 30 ADEEMO CC(C)(C)[N@@H+](CCCO)CCCC#N 687802148 571817882 /nfs/dbraw/zinc/81/78/82/571817882.db2.gz BBOSPPHUJRMBKZ-UHFFFAOYSA-N 1 1 198.310 1.773 10 30 ADEEMO C=CC[N@H+](C(C)C)[C@H]1COCC[C@H]1O 687802239 571821518 /nfs/dbraw/zinc/82/15/18/571821518.db2.gz HALQGSJWNALYJO-WDEREUQCSA-N 1 1 199.294 1.033 10 30 ADEEMO CCN[C@@H](C#N)CC[N@@H+](C)[C@H](C)CC 251658367 571818189 /nfs/dbraw/zinc/81/81/89/571818189.db2.gz BPDCMQWIUCIKEJ-GHMZBOCLSA-N 1 1 197.326 1.608 10 30 ADEEMO CC[N@@H+](C[C@H](C)C#N)[C@H]1CCC[C@H]1O 252432531 571818343 /nfs/dbraw/zinc/81/83/43/571818343.db2.gz VSVRCNBFXGRDDK-OUAUKWLOSA-N 1 1 196.294 1.381 10 30 ADEEMO C=CCNC[C@@H](C)[N@@H+](C)[C@H](C)CC 251766100 571819221 /nfs/dbraw/zinc/81/92/21/571819221.db2.gz IAEWBRNJGRTALL-GHMZBOCLSA-N 1 1 184.327 1.881 10 30 ADEEMO C=CCNC[C@@H](C)[N@H+](C)[C@H](C)CC 251766100 571819222 /nfs/dbraw/zinc/81/92/22/571819222.db2.gz IAEWBRNJGRTALL-GHMZBOCLSA-N 1 1 184.327 1.881 10 30 ADEEMO C=CCNC[C@@H](C)[N@@H+]1CC[C@H](C)C1 251609339 571819319 /nfs/dbraw/zinc/81/93/19/571819319.db2.gz GTTJCHISAHHGIL-WDEREUQCSA-N 1 1 182.311 1.492 10 30 ADEEMO C=CCNC[C@@H](C)[N@H+]1CC[C@H](C)C1 251609339 571819320 /nfs/dbraw/zinc/81/93/20/571819320.db2.gz GTTJCHISAHHGIL-WDEREUQCSA-N 1 1 182.311 1.492 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCC[C@H]1CCCO 251708187 571819632 /nfs/dbraw/zinc/81/96/32/571819632.db2.gz YAZRKGCYGLNUIC-QWRGUYRKSA-N 1 1 183.295 1.798 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCCC[C@H]1CCO 251641267 571819903 /nfs/dbraw/zinc/81/99/03/571819903.db2.gz RZPXBTPCKOLOEK-MNOVXSKESA-N 1 1 183.295 1.798 10 30 ADEEMO C=CC[N@H+](C(C)C)[C@@H]1COCC[C@@H]1O 687802237 571820329 /nfs/dbraw/zinc/82/03/29/571820329.db2.gz HALQGSJWNALYJO-MNOVXSKESA-N 1 1 199.294 1.033 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCC[C@H]1CCCO 251708184 571820675 /nfs/dbraw/zinc/82/06/75/571820675.db2.gz YAZRKGCYGLNUIC-MNOVXSKESA-N 1 1 183.295 1.798 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCC[C@H]1C(=O)OC 251642732 571821201 /nfs/dbraw/zinc/82/12/01/571821201.db2.gz SEXVTTVXRSZYMH-BDAKNGLRSA-N 1 1 183.251 1.198 10 30 ADEEMO C=C[C@@H](C)[N@@H+]1CCC[C@H]1C(=O)OC 251642732 571821205 /nfs/dbraw/zinc/82/12/05/571821205.db2.gz SEXVTTVXRSZYMH-BDAKNGLRSA-N 1 1 183.251 1.198 10 30 ADEEMO C=CC[N@H+](C(C)C)[C@H]1COCC[C@@H]1O 687802238 571821241 /nfs/dbraw/zinc/82/12/41/571821241.db2.gz HALQGSJWNALYJO-QWRGUYRKSA-N 1 1 199.294 1.033 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCCC[C@H]1CCO 251641268 571821555 /nfs/dbraw/zinc/82/15/55/571821555.db2.gz RZPXBTPCKOLOEK-QWRGUYRKSA-N 1 1 183.295 1.798 10 30 ADEEMO C#CCNC[C@@H](C)[N@@H+]1CCC[C@H]1CC 251542393 571821451 /nfs/dbraw/zinc/82/14/51/571821451.db2.gz AUIZBXBTESXXGR-VXGBXAGGSA-N 1 1 194.322 1.472 10 30 ADEEMO C#CC[NH2+]C[C@@H](C)N1CCC[C@H]1CC 251542393 571821453 /nfs/dbraw/zinc/82/14/53/571821453.db2.gz AUIZBXBTESXXGR-VXGBXAGGSA-N 1 1 194.322 1.472 10 30 ADEEMO C=CC[N@H+](C(C)C)[C@@H]1COCC[C@H]1O 687802236 571822168 /nfs/dbraw/zinc/82/21/68/571822168.db2.gz HALQGSJWNALYJO-GHMZBOCLSA-N 1 1 199.294 1.033 10 30 ADEEMO CN[C@@](C)(C#N)CC[N@H+]1CC[C@H](C)C1 251579166 571822264 /nfs/dbraw/zinc/82/22/64/571822264.db2.gz DXTIQWMJRMORGY-WDEREUQCSA-N 1 1 195.310 1.220 10 30 ADEEMO CC[C@H](C)[N@@H+](CCOC)C[C@H](C)C#N 252028143 571824000 /nfs/dbraw/zinc/82/40/00/571824000.db2.gz YSTQCFOJUIYWLS-MNOVXSKESA-N 1 1 198.310 1.893 10 30 ADEEMO C[C@@H](C#N)CN(C)CCCC[NH+](C)C 687802513 571825479 /nfs/dbraw/zinc/82/54/79/571825479.db2.gz JAHSWLROFMRBPD-NSHDSACASA-N 1 1 197.326 1.420 10 30 ADEEMO CCC[C@H](C)[N@@H+](C)C[C@H]1CO1 252404628 571830687 /nfs/dbraw/zinc/83/06/87/571830687.db2.gz CZEFIEKNBXYKDJ-IUCAKERBSA-N 1 1 157.257 1.506 10 30 ADEEMO CC[C@@H](C)[N@@H+](CCOC)C[C@H](C)C#N 252028142 571825783 /nfs/dbraw/zinc/82/57/83/571825783.db2.gz YSTQCFOJUIYWLS-GHMZBOCLSA-N 1 1 198.310 1.893 10 30 ADEEMO CC[C@@H](C)[N@@H+](CCOC)C[C@H]1CO1 251863690 571825943 /nfs/dbraw/zinc/82/59/43/571825943.db2.gz OSZOWQKEAZCIET-ZJUUUORDSA-N 1 1 187.283 1.132 10 30 ADEEMO C[C@H](C#N)CN(C)CCCC[NH+](C)C 687802512 571826095 /nfs/dbraw/zinc/82/60/95/571826095.db2.gz JAHSWLROFMRBPD-LLVKDONJSA-N 1 1 197.326 1.420 10 30 ADEEMO CC#CCC[N@H+]1[C@@H](C)CCC[C@@H]1CO 687802615 571827217 /nfs/dbraw/zinc/82/72/17/571827217.db2.gz DJLPTFAMIHXPJW-NWDGAFQWSA-N 1 1 195.306 1.635 10 30 ADEEMO CC#CCC[N@H+]1[C@@H](C)CCC[C@H]1CO 687802616 571827261 /nfs/dbraw/zinc/82/72/61/571827261.db2.gz DJLPTFAMIHXPJW-RYUDHWBXSA-N 1 1 195.306 1.635 10 30 ADEEMO CC#CCC[N@H+]1[C@H](C)CCC[C@@H]1CO 687802617 571827278 /nfs/dbraw/zinc/82/72/78/571827278.db2.gz DJLPTFAMIHXPJW-VXGBXAGGSA-N 1 1 195.306 1.635 10 30 ADEEMO CC#CCC[N@@H+]1[C@H](CO)CCC[C@H]1C 687802614 571827290 /nfs/dbraw/zinc/82/72/90/571827290.db2.gz DJLPTFAMIHXPJW-NEPJUHHUSA-N 1 1 195.306 1.635 10 30 ADEEMO CC[C@H](C)[N@@H+](CCOC)C[C@H]1CO1 251863689 571827690 /nfs/dbraw/zinc/82/76/90/571827690.db2.gz OSZOWQKEAZCIET-UWVGGRQHSA-N 1 1 187.283 1.132 10 30 ADEEMO C#CCNC[C@@H](C)[N@H+](CC)[C@H](C)CC 251842719 571827702 /nfs/dbraw/zinc/82/77/02/571827702.db2.gz LSAARXAEYQXMKC-VXGBXAGGSA-N 1 1 196.338 1.718 10 30 ADEEMO C#CCNC[C@@H](C)[N@H+]1CCCC[C@H]1C 252085903 571827709 /nfs/dbraw/zinc/82/77/09/571827709.db2.gz CUFSXGICLLQAER-VXGBXAGGSA-N 1 1 194.322 1.472 10 30 ADEEMO C#CC[NH2+]C[C@@H](C)N1CCCC[C@H]1C 252085903 571827710 /nfs/dbraw/zinc/82/77/10/571827710.db2.gz CUFSXGICLLQAER-VXGBXAGGSA-N 1 1 194.322 1.472 10 30 ADEEMO CCN[C@@H](C#N)C[N@@H+]1CCC[C@H]1CC 251847883 571828311 /nfs/dbraw/zinc/82/83/11/571828311.db2.gz RMADMDKGLPMKHV-WDEREUQCSA-N 1 1 195.310 1.362 10 30 ADEEMO CCN[C@@H](C#N)C[N@H+]1CCC[C@H]1CC 251847883 571828313 /nfs/dbraw/zinc/82/83/13/571828313.db2.gz RMADMDKGLPMKHV-WDEREUQCSA-N 1 1 195.310 1.362 10 30 ADEEMO CC[C@H]1CCC[N@H+]1C[C@H](C)/C(N)=N/O 252416623 571832964 /nfs/dbraw/zinc/83/29/64/571832964.db2.gz OSLAOZYFFQMWOE-IUCAKERBSA-N 1 1 199.298 1.243 10 30 ADEEMO CC#CCC[N@H+]1CCCC[C@H](CO)C1 687802857 571829753 /nfs/dbraw/zinc/82/97/53/571829753.db2.gz GDORSMDYXYLMBL-LBPRGKRZSA-N 1 1 195.306 1.494 10 30 ADEEMO C#CCNC[C@@H](C)[N@H+]1CCC[C@H](C)C1 252209229 571829826 /nfs/dbraw/zinc/82/98/26/571829826.db2.gz VWJOKSMXYGXAKO-NWDGAFQWSA-N 1 1 194.322 1.330 10 30 ADEEMO C#CC[NH2+]C[C@@H](C)N1CCC[C@H](C)C1 252209229 571829829 /nfs/dbraw/zinc/82/98/29/571829829.db2.gz VWJOKSMXYGXAKO-NWDGAFQWSA-N 1 1 194.322 1.330 10 30 ADEEMO CC[C@@H](C/C(N)=N/O)[N@H+]1CCC[C@H]1C 252416355 571830361 /nfs/dbraw/zinc/83/03/61/571830361.db2.gz OCIOXEVICCNVHP-BDAKNGLRSA-N 1 1 199.298 1.386 10 30 ADEEMO CC[N@@H+](CCO)[C@H]1CCCC[C@H]1C#N 252417034 571830369 /nfs/dbraw/zinc/83/03/69/571830369.db2.gz QBIOSDJYPMQGTQ-QWRGUYRKSA-N 1 1 196.294 1.383 10 30 ADEEMO CC(C)[N@@H+](CCC#N)[C@H]1CCC[C@H]1O 252430478 571830490 /nfs/dbraw/zinc/83/04/90/571830490.db2.gz SZFBLVAZYPUMSX-WDEREUQCSA-N 1 1 196.294 1.524 10 30 ADEEMO CC[C@@H]1CCC[N@H+]1[C@H](C)C/C(N)=N/O 252417611 571830720 /nfs/dbraw/zinc/83/07/20/571830720.db2.gz RVPJYMARFFTWIK-RKDXNWHRSA-N 1 1 199.298 1.386 10 30 ADEEMO CC#CCC[N@H+]1CCCC[C@@H](CO)C1 687802856 571830793 /nfs/dbraw/zinc/83/07/93/571830793.db2.gz GDORSMDYXYLMBL-GFCCVEGCSA-N 1 1 195.306 1.494 10 30 ADEEMO CC[N@@H+](CCO)[C@@H]1CCCC[C@H]1C#N 252417037 571830894 /nfs/dbraw/zinc/83/08/94/571830894.db2.gz QBIOSDJYPMQGTQ-WDEREUQCSA-N 1 1 196.294 1.383 10 30 ADEEMO C[C@@H](C[N@@H+](C)[C@H](C)C1CC1)/C(N)=N/O 252419986 571831102 /nfs/dbraw/zinc/83/11/02/571831102.db2.gz XDVKKJSJQSKQQT-JGVFFNPUSA-N 1 1 199.298 1.099 10 30 ADEEMO CC[C@@H]1CCC[N@H+]1C[C@H](C)/C(N)=N/O 252416622 571831180 /nfs/dbraw/zinc/83/11/80/571831180.db2.gz OSLAOZYFFQMWOE-DTWKUNHWSA-N 1 1 199.298 1.243 10 30 ADEEMO CC[N@@H+](CCC#N)[C@H]1CCCC[C@H]1O 252432334 571831344 /nfs/dbraw/zinc/83/13/44/571831344.db2.gz BIGFPIQCUQPDLN-WDEREUQCSA-N 1 1 196.294 1.525 10 30 ADEEMO CN[C@@H](C#N)CC[N@H+]1CCC[C@H](C)C1 252140225 571831485 /nfs/dbraw/zinc/83/14/85/571831485.db2.gz MDZPNCHVIVVSLK-WDEREUQCSA-N 1 1 195.310 1.220 10 30 ADEEMO CC[N@@H+](CCC#N)[C@H]1CCC[C@H]1O 252432345 571831713 /nfs/dbraw/zinc/83/17/13/571831713.db2.gz CGTNLVLFNCHPOZ-VHSXEESVSA-N 1 1 182.267 1.135 10 30 ADEEMO CC[C@H](C/C(N)=N/O)[N@H+]1CCC[C@H]1C 252416356 571832339 /nfs/dbraw/zinc/83/23/39/571832339.db2.gz OCIOXEVICCNVHP-RKDXNWHRSA-N 1 1 199.298 1.386 10 30 ADEEMO C=CCNC[C@@H](C)[N@@H+]1CCC[C@H]1C 252203673 571832453 /nfs/dbraw/zinc/83/24/53/571832453.db2.gz UQKJVUKPPNOLJT-GHMZBOCLSA-N 1 1 182.311 1.635 10 30 ADEEMO C=CCNC[C@@H](C)[N@H+]1CCC[C@H]1C 252203673 571832455 /nfs/dbraw/zinc/83/24/55/571832455.db2.gz UQKJVUKPPNOLJT-GHMZBOCLSA-N 1 1 182.311 1.635 10 30 ADEEMO CN[C@@H](C#N)CC[N@H+]1CCCC[C@H]1C 252132820 571832577 /nfs/dbraw/zinc/83/25/77/571832577.db2.gz LBHKTTDJKCXZGR-GHMZBOCLSA-N 1 1 195.310 1.362 10 30 ADEEMO CC[C@H]1CCC[N@H+]1[C@H](C)C/C(N)=N/O 252417610 571832777 /nfs/dbraw/zinc/83/27/77/571832777.db2.gz RVPJYMARFFTWIK-BDAKNGLRSA-N 1 1 199.298 1.386 10 30 ADEEMO CN[C@@](C)(C#N)CC[N@H+]1CCC[C@H]1C 252152946 571833710 /nfs/dbraw/zinc/83/37/10/571833710.db2.gz MUXHYQSNKSKAPO-GHMZBOCLSA-N 1 1 195.310 1.362 10 30 ADEEMO C=CCNC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 252153653 571833802 /nfs/dbraw/zinc/83/38/02/571833802.db2.gz MYASBMHQAJGITK-NWDGAFQWSA-N 1 1 196.338 1.882 10 30 ADEEMO C=CCNC[C@@H](C)[N@H+]1CCC[C@H](C)C1 252153653 571833804 /nfs/dbraw/zinc/83/38/04/571833804.db2.gz MYASBMHQAJGITK-NWDGAFQWSA-N 1 1 196.338 1.882 10 30 ADEEMO C[C@H](CC#N)[N@H+]1CCCC[C@H]1CCO 252440194 571834169 /nfs/dbraw/zinc/83/41/69/571834169.db2.gz YDKZGPWUMYCWRW-MNOVXSKESA-N 1 1 196.294 1.525 10 30 ADEEMO CC[N@H+]1CC[C@@H](CNC[C@H](C)C#N)C1 252439648 571834220 /nfs/dbraw/zinc/83/42/20/571834220.db2.gz RCCBKQULHJRUCC-MNOVXSKESA-N 1 1 195.310 1.077 10 30 ADEEMO CC[N@H+]1CC[C@@H](CN[C@H](C)CC#N)C1 252438690 571834597 /nfs/dbraw/zinc/83/45/97/571834597.db2.gz FKPOZDVRPALJDD-MNOVXSKESA-N 1 1 195.310 1.220 10 30 ADEEMO C[C@@H](CC#N)[N@H+]1CCCC[C@H]1CCO 252440195 571836167 /nfs/dbraw/zinc/83/61/67/571836167.db2.gz YDKZGPWUMYCWRW-QWRGUYRKSA-N 1 1 196.294 1.525 10 30 ADEEMO CC[C@H](C)[N@@H+](CC)C[C@H]1CO1 252434861 571834672 /nfs/dbraw/zinc/83/46/72/571834672.db2.gz GRNPKESPIKWTGI-IUCAKERBSA-N 1 1 157.257 1.506 10 30 ADEEMO CC[C@@H](C)[N@@H+](CC)[C@H](C)C(N)=NO 252449283 571834878 /nfs/dbraw/zinc/83/48/78/571834878.db2.gz ZQPRIVDYWNCFJE-HTQZYQBOSA-N 1 1 187.287 1.242 10 30 ADEEMO CC[C@@H](C)[N@@H+](CC)C[C@H]1CO1 252434860 571834895 /nfs/dbraw/zinc/83/48/95/571834895.db2.gz GRNPKESPIKWTGI-BDAKNGLRSA-N 1 1 157.257 1.506 10 30 ADEEMO CC[N@H+]1CC[C@H](CN[C@H](C)CC#N)C1 252438689 571834964 /nfs/dbraw/zinc/83/49/64/571834964.db2.gz FKPOZDVRPALJDD-GHMZBOCLSA-N 1 1 195.310 1.220 10 30 ADEEMO CC[C@H](C(N)=NO)[N@@H+](C)[C@H](C)C1CC1 252449228 571835058 /nfs/dbraw/zinc/83/50/58/571835058.db2.gz WQMGMXCPISDFMI-VXNVDRBHSA-N 1 1 199.298 1.242 10 30 ADEEMO CC[C@H](C)[N@@H+](C)[C@H](CC)C(N)=NO 252449201 571835078 /nfs/dbraw/zinc/83/50/78/571835078.db2.gz UPJPIIJLSQSXJG-JGVFFNPUSA-N 1 1 187.287 1.242 10 30 ADEEMO CC[C@H](C)[N@@H+](CC)[C@H](C)C(N)=NO 252449284 571835194 /nfs/dbraw/zinc/83/51/94/571835194.db2.gz ZQPRIVDYWNCFJE-JGVFFNPUSA-N 1 1 187.287 1.242 10 30 ADEEMO CC(C)[C@@H](C)[N@@H+](C)[C@H](C)C(N)=NO 252449034 571835204 /nfs/dbraw/zinc/83/52/04/571835204.db2.gz IJOADUGXJORAHJ-HTQZYQBOSA-N 1 1 187.287 1.098 10 30 ADEEMO CC[C@@H]1CCC[N@@H+]1[C@H](CC)C(N)=NO 252449077 571835447 /nfs/dbraw/zinc/83/54/47/571835447.db2.gz LTADRWCGCYEDIG-RKDXNWHRSA-N 1 1 199.298 1.386 10 30 ADEEMO CC[C@@H](C)C[N@@H+](C)C[C@H]1CO1 252434914 571835496 /nfs/dbraw/zinc/83/54/96/571835496.db2.gz GZULSVHDJXBNNG-BDAKNGLRSA-N 1 1 157.257 1.363 10 30 ADEEMO C[N@H+]1CCC[C@H]1/C=C1/CCCC1=O 38149114 571835534 /nfs/dbraw/zinc/83/55/34/571835534.db2.gz KFUDZZZSOUAONO-QROTZFDESA-N 1 1 179.263 1.760 10 30 ADEEMO CC[N@H+]1CCC[C@H]1CN[C@H](C)CC#N 252438693 571835764 /nfs/dbraw/zinc/83/57/64/571835764.db2.gz FLKUURATUQWJNI-MNOVXSKESA-N 1 1 195.310 1.362 10 30 ADEEMO CCC[C@H](C)[N@@H+](C)[C@H](C)C(N)=NO 252449086 571835859 /nfs/dbraw/zinc/83/58/59/571835859.db2.gz MWBQSZJPLMOUIP-JGVFFNPUSA-N 1 1 187.287 1.242 10 30 ADEEMO CC[C@@H](C(N)=NO)[N@@H+](C)[C@H](C)C1CC1 252449227 571835911 /nfs/dbraw/zinc/83/59/11/571835911.db2.gz WQMGMXCPISDFMI-APPZFPTMSA-N 1 1 199.298 1.242 10 30 ADEEMO CC[C@@H](C)[N@@H+](C)[C@H](CC)C(N)=NO 252449200 571836021 /nfs/dbraw/zinc/83/60/21/571836021.db2.gz UPJPIIJLSQSXJG-HTQZYQBOSA-N 1 1 187.287 1.242 10 30 ADEEMO CC[N@H+]1CC[C@H](CNC[C@H](C)C#N)C1 252439647 571836260 /nfs/dbraw/zinc/83/62/60/571836260.db2.gz RCCBKQULHJRUCC-GHMZBOCLSA-N 1 1 195.310 1.077 10 30 ADEEMO CC[C@@H](C)[N@@H+](C)C[C@H](C)C(N)=NO 252436408 571836273 /nfs/dbraw/zinc/83/62/73/571836273.db2.gz OXQKRLGYDMCOLQ-JGVFFNPUSA-N 1 1 187.287 1.099 10 30 ADEEMO CC[C@H](C)[N@@H+](C)[C@H](C)CC(N)=NO 252439550 571836303 /nfs/dbraw/zinc/83/63/03/571836303.db2.gz PZMSXKBZOVBSAL-JGVFFNPUSA-N 1 1 187.287 1.242 10 30 ADEEMO CC[C@@H](C)[N@@H+](C)[C@H](C)CC(N)=NO 252439549 571836331 /nfs/dbraw/zinc/83/63/31/571836331.db2.gz PZMSXKBZOVBSAL-HTQZYQBOSA-N 1 1 187.287 1.242 10 30 ADEEMO CC(C)[C@H](C)[N@@H+](C)[C@H](C)C(N)=NO 252449035 571836363 /nfs/dbraw/zinc/83/63/63/571836363.db2.gz IJOADUGXJORAHJ-JGVFFNPUSA-N 1 1 187.287 1.098 10 30 ADEEMO CCC[C@@H](C)[N@@H+](C)[C@H](C)C(N)=NO 252449085 571836739 /nfs/dbraw/zinc/83/67/39/571836739.db2.gz MWBQSZJPLMOUIP-HTQZYQBOSA-N 1 1 187.287 1.242 10 30 ADEEMO C[C@H](CC(N)=NO)[N@@H+](C)[C@H](C)C1CC1 252439783 571836781 /nfs/dbraw/zinc/83/67/81/571836781.db2.gz SMZYHDDGFMJRKW-HTQZYQBOSA-N 1 1 199.298 1.242 10 30 ADEEMO COC(=[NH2+])CCCS 5138583 571836882 /nfs/dbraw/zinc/83/68/82/571836882.db2.gz DFTAZNAEBRBBKP-UHFFFAOYSA-N 1 1 133.216 1.320 10 30 ADEEMO C[C@@H](CC(N)=NO)[N@@H+](C)[C@H](C)C1CC1 252439784 571837258 /nfs/dbraw/zinc/83/72/58/571837258.db2.gz SMZYHDDGFMJRKW-JGVFFNPUSA-N 1 1 199.298 1.242 10 30 ADEEMO CC[C@H](C)[N@@H+](C)C[C@H](C)C(N)=NO 252436409 571837515 /nfs/dbraw/zinc/83/75/15/571837515.db2.gz OXQKRLGYDMCOLQ-YUMQZZPRSA-N 1 1 187.287 1.099 10 30 ADEEMO CC[N@H+]1CCC[C@@H]1CN[C@H](C)CC#N 252438692 571837923 /nfs/dbraw/zinc/83/79/23/571837923.db2.gz FLKUURATUQWJNI-GHMZBOCLSA-N 1 1 195.310 1.362 10 30 ADEEMO O=C[C@@H]1CCC[C@@H]2CCC[N@@H+]12 38220286 571837957 /nfs/dbraw/zinc/83/79/57/571837957.db2.gz LKXSKNZVGMKOHP-BDAKNGLRSA-N 1 1 153.225 1.202 10 30 ADEEMO CC[C@H](C)C[N@@H+](C)C[C@H]1CO1 252434915 571837974 /nfs/dbraw/zinc/83/79/74/571837974.db2.gz GZULSVHDJXBNNG-IUCAKERBSA-N 1 1 157.257 1.363 10 30 ADEEMO C[C@@H]1CSC[C@@H](C)[NH+]1CCC#N 687803432 571839759 /nfs/dbraw/zinc/83/97/59/571839759.db2.gz GDSKKQRNOYMRAK-RKDXNWHRSA-N 1 1 184.308 1.726 10 30 ADEEMO Cc1cccc(NC[C@H]2CO2)[nH+]1 38251145 571839017 /nfs/dbraw/zinc/83/90/17/571839017.db2.gz HOPNJFAYXRTDMW-QMMMGPOBSA-N 1 1 164.208 1.201 10 30 ADEEMO C[C@H]1CSC[C@@H](C)[N@@H+]1CCC#N 687803430 571839589 /nfs/dbraw/zinc/83/95/89/571839589.db2.gz GDSKKQRNOYMRAK-DTORHVGOSA-N 1 1 184.308 1.726 10 30 ADEEMO C[C@H]1CSC[C@@H](C)[N@H+]1CCC#N 687803430 571839591 /nfs/dbraw/zinc/83/95/91/571839591.db2.gz GDSKKQRNOYMRAK-DTORHVGOSA-N 1 1 184.308 1.726 10 30 ADEEMO C[C@H]1CSC[C@H](C)[NH+]1CCC#N 687803431 571839715 /nfs/dbraw/zinc/83/97/15/571839715.db2.gz GDSKKQRNOYMRAK-IUCAKERBSA-N 1 1 184.308 1.726 10 30 ADEEMO Cc1cccc(NC[C@@H]2CO2)[nH+]1 38251143 571840338 /nfs/dbraw/zinc/84/03/38/571840338.db2.gz HOPNJFAYXRTDMW-MRVPVSSYSA-N 1 1 164.208 1.201 10 30 ADEEMO C[C@@H]1[N@@H+](C(C)(C)C=O)CCOC1(C)C 687848329 571844172 /nfs/dbraw/zinc/84/41/72/571844172.db2.gz ZHPQCMYXDMMHJS-VIFPVBQESA-N 1 1 199.294 1.463 10 30 ADEEMO C[C@@H]1[N@H+](C(C)(C)C=O)CCOC1(C)C 687848329 571844175 /nfs/dbraw/zinc/84/41/75/571844175.db2.gz ZHPQCMYXDMMHJS-VIFPVBQESA-N 1 1 199.294 1.463 10 30 ADEEMO C[C@H]1[N@@H+](C(C)(C)C=O)CCOC1(C)C 687848323 571844425 /nfs/dbraw/zinc/84/44/25/571844425.db2.gz ZHPQCMYXDMMHJS-SECBINFHSA-N 1 1 199.294 1.463 10 30 ADEEMO C[C@H]1[N@H+](C(C)(C)C=O)CCOC1(C)C 687848323 571844433 /nfs/dbraw/zinc/84/44/33/571844433.db2.gz ZHPQCMYXDMMHJS-SECBINFHSA-N 1 1 199.294 1.463 10 30 ADEEMO C=C(C)CC[N@H+](C)CC 206434013 571844521 /nfs/dbraw/zinc/84/45/21/571844521.db2.gz RFPQAXHXBPJOLY-UHFFFAOYSA-N 1 1 127.231 1.904 10 30 ADEEMO C[C@H]1C[N@@H+](C)[C@H](C)c2cc(C#N)[nH]c21 34589734 571844655 /nfs/dbraw/zinc/84/46/55/571844655.db2.gz HDYVEXXUNWMWCT-JGVFFNPUSA-N 1 1 189.262 1.996 10 30 ADEEMO C#CCC[N@H+]1CC[C@H](C)[C@@H](OC)C1 221133570 571844949 /nfs/dbraw/zinc/84/49/49/571844949.db2.gz SIGBIMJPCJTAKW-QWRGUYRKSA-N 1 1 181.279 1.367 10 30 ADEEMO C#CCC[N@H+]1CC[C@@H](C)[C@@H](OC)C1 221133513 571845132 /nfs/dbraw/zinc/84/51/32/571845132.db2.gz SIGBIMJPCJTAKW-MNOVXSKESA-N 1 1 181.279 1.367 10 30 ADEEMO C=C1CC[NH+](Cc2[nH]cnc2C)CC1 687723873 571845450 /nfs/dbraw/zinc/84/54/50/571845450.db2.gz ALQAXZOWUOIJMT-UHFFFAOYSA-N 1 1 191.278 1.870 10 30 ADEEMO C[C@@H]1C[N@@H+](C)[C@H](C)c2cc(C#N)[nH]c21 34589733 571845548 /nfs/dbraw/zinc/84/55/48/571845548.db2.gz HDYVEXXUNWMWCT-HTQZYQBOSA-N 1 1 189.262 1.996 10 30 ADEEMO C[NH+](C)CC(=O)C1=CCCCC1 234228625 571847392 /nfs/dbraw/zinc/84/73/92/571847392.db2.gz DOXQVJXZXUFJBJ-UHFFFAOYSA-N 1 1 167.252 1.618 10 30 ADEEMO CC[N@H+](CC#CC(C)(C)C)CCO 300719225 571849936 /nfs/dbraw/zinc/84/99/36/571849936.db2.gz AUTMSMCLZJDSPS-UHFFFAOYSA-N 1 1 183.295 1.350 10 30 ADEEMO CN[C@@H](C#N)[C@@H](C)[N@@H+]1CCCC1(C)C 711000021 571853254 /nfs/dbraw/zinc/85/32/54/571853254.db2.gz MBRPSQIANVHRIY-ZJUUUORDSA-N 1 1 195.310 1.361 10 30 ADEEMO CN[C@@H](C#N)[C@@H](C)[N@H+]1CCCC1(C)C 711000021 571853256 /nfs/dbraw/zinc/85/32/56/571853256.db2.gz MBRPSQIANVHRIY-ZJUUUORDSA-N 1 1 195.310 1.361 10 30 ADEEMO CCN(C)N=C1C[C@@H](C)[N@H+](C)C1 379314766 571850529 /nfs/dbraw/zinc/85/05/29/571850529.db2.gz PNKUMGNMRGKKJS-MRVPVSSYSA-N 1 1 169.272 1.018 10 30 ADEEMO CCN(C)N=C1C[C@@H](C)[N@@H+](C)C1 379314766 571850531 /nfs/dbraw/zinc/85/05/31/571850531.db2.gz PNKUMGNMRGKKJS-MRVPVSSYSA-N 1 1 169.272 1.018 10 30 ADEEMO CCN(C)N=C1C[C@H](C)[N@H+](C)C1 379314767 571851163 /nfs/dbraw/zinc/85/11/63/571851163.db2.gz PNKUMGNMRGKKJS-QMMMGPOBSA-N 1 1 169.272 1.018 10 30 ADEEMO CCN(C)N=C1C[C@H](C)[N@@H+](C)C1 379314767 571851166 /nfs/dbraw/zinc/85/11/66/571851166.db2.gz PNKUMGNMRGKKJS-QMMMGPOBSA-N 1 1 169.272 1.018 10 30 ADEEMO N#CCC[N@H+](C1CC1)[C@H]1CCSC1 261161856 571851395 /nfs/dbraw/zinc/85/13/95/571851395.db2.gz WTJCQIMZFDLJNO-JTQLQIEISA-N 1 1 196.319 1.870 10 30 ADEEMO N#CCC[N@@H+](C1CC1)[C@H]1CCSC1 261161856 571851398 /nfs/dbraw/zinc/85/13/98/571851398.db2.gz WTJCQIMZFDLJNO-JTQLQIEISA-N 1 1 196.319 1.870 10 30 ADEEMO CC(C)C[C@H](C)[N@H+](C)[C@H](C)[C@H](N)C#N 710996852 571851520 /nfs/dbraw/zinc/85/15/20/571851520.db2.gz DWWGHRKMWHDTCJ-HBNTYKKESA-N 1 1 197.326 1.592 10 30 ADEEMO CC(C)C[C@H](C)[N@@H+](C)[C@H](C)[C@H](N)C#N 710996852 571851522 /nfs/dbraw/zinc/85/15/22/571851522.db2.gz DWWGHRKMWHDTCJ-HBNTYKKESA-N 1 1 197.326 1.592 10 30 ADEEMO CC[N@H+]1CCC(=NOC)C[C@@H]1C 379313228 571853657 /nfs/dbraw/zinc/85/36/57/571853657.db2.gz FZZGECGUQUOAEV-QMMMGPOBSA-N 1 1 170.256 1.493 10 30 ADEEMO COC(=O)[C@H](C)C[N@H+](C)[C@H](C)CC#N 50068815 571852602 /nfs/dbraw/zinc/85/26/02/571852602.db2.gz DNNBNKRSEBYMPX-RKDXNWHRSA-N 1 1 198.266 1.029 10 30 ADEEMO COC(=O)[C@H](C)C[N@@H+](C)[C@H](C)CC#N 50068815 571852606 /nfs/dbraw/zinc/85/26/06/571852606.db2.gz DNNBNKRSEBYMPX-RKDXNWHRSA-N 1 1 198.266 1.029 10 30 ADEEMO CC[C@@H]1C[C@H](C)C[N@H+]1[C@H](C)[C@@H](N)C#N 710998811 571852907 /nfs/dbraw/zinc/85/29/07/571852907.db2.gz INWSCUTXNYQCSN-ZDCRXTMVSA-N 1 1 195.310 1.346 10 30 ADEEMO CC[C@@H]1C[C@H](C)C[N@H+]1[C@@H](C)[C@H](N)C#N 710998808 571853443 /nfs/dbraw/zinc/85/34/43/571853443.db2.gz INWSCUTXNYQCSN-UKKRHICBSA-N 1 1 195.310 1.346 10 30 ADEEMO CC[N@H+]1CCC(=NOC)C[C@H]1C 379313227 571853568 /nfs/dbraw/zinc/85/35/68/571853568.db2.gz FZZGECGUQUOAEV-MRVPVSSYSA-N 1 1 170.256 1.493 10 30 ADEEMO CN[C@H](C#N)[C@H](C)[N@@H+]1CCCC1(C)C 711000016 571854366 /nfs/dbraw/zinc/85/43/66/571854366.db2.gz MBRPSQIANVHRIY-VHSXEESVSA-N 1 1 195.310 1.361 10 30 ADEEMO CN[C@H](C#N)[C@H](C)[N@H+]1CCCC1(C)C 711000016 571854368 /nfs/dbraw/zinc/85/43/68/571854368.db2.gz MBRPSQIANVHRIY-VHSXEESVSA-N 1 1 195.310 1.361 10 30 ADEEMO CN[C@@H](C#N)[C@H](C)[N@@H+]1CCCC1(C)C 711000015 571854651 /nfs/dbraw/zinc/85/46/51/571854651.db2.gz MBRPSQIANVHRIY-UWVGGRQHSA-N 1 1 195.310 1.361 10 30 ADEEMO CN[C@@H](C#N)[C@H](C)[N@H+]1CCCC1(C)C 711000015 571854655 /nfs/dbraw/zinc/85/46/55/571854655.db2.gz MBRPSQIANVHRIY-UWVGGRQHSA-N 1 1 195.310 1.361 10 30 ADEEMO CCOC(=O)N=CNc1c[nH+]cn1C 38672532 571854889 /nfs/dbraw/zinc/85/48/89/571854889.db2.gz SRBXTDYKLYKPLQ-UHFFFAOYSA-N 1 1 196.210 1.017 10 30 ADEEMO C[C@@H]1C[N@H+](C)C[C@@H]2C1=CC(=O)[C@@H]2C 6031211 571857199 /nfs/dbraw/zinc/85/71/99/571857199.db2.gz QGCAKXUASFKRJA-MRTMQBJTSA-N 1 1 179.263 1.329 10 30 ADEEMO CC(C)c1[nH+]c(/C=N/C#N)c(N)n1C 38761541 571855750 /nfs/dbraw/zinc/85/57/50/571855750.db2.gz UOJUORGGTNFBRR-UUILKARUSA-N 1 1 191.238 1.026 10 30 ADEEMO C#CCC[N@H+](C)Cc1cncs1 400026972 571856688 /nfs/dbraw/zinc/85/66/88/571856688.db2.gz QDDQYZFGVUPSKF-UHFFFAOYSA-N 1 1 180.276 1.598 10 30 ADEEMO C[C@H]1C[N@H+](C)C[C@@H]2C1=CC(=O)[C@@H]2C 6037821 571857511 /nfs/dbraw/zinc/85/75/11/571857511.db2.gz QGCAKXUASFKRJA-XKSSXDPKSA-N 1 1 179.263 1.329 10 30 ADEEMO C[C@@H]1C[C@]2(O[C@H]2C#N)[C@H](C)C[N@H+]1C 38804154 571857764 /nfs/dbraw/zinc/85/77/64/571857764.db2.gz KEIZCJFJWKOEJV-IMSYWVGJSA-N 1 1 180.251 1.008 10 30 ADEEMO C=C[C@@H](C(=O)OC)[N@@H+](C)CCCCC 301043595 571857902 /nfs/dbraw/zinc/85/79/02/571857902.db2.gz LQBCAVPWEJDOPK-JTQLQIEISA-N 1 1 199.294 1.836 10 30 ADEEMO C=C[C@@H](C(=O)OC)[N@H+](C)CCCCC 301043595 571857905 /nfs/dbraw/zinc/85/79/05/571857905.db2.gz LQBCAVPWEJDOPK-JTQLQIEISA-N 1 1 199.294 1.836 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@@H+](C)CCCCC 301043596 571858700 /nfs/dbraw/zinc/85/87/00/571858700.db2.gz LQBCAVPWEJDOPK-SNVBAGLBSA-N 1 1 199.294 1.836 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@H+](C)CCCCC 301043596 571858702 /nfs/dbraw/zinc/85/87/02/571858702.db2.gz LQBCAVPWEJDOPK-SNVBAGLBSA-N 1 1 199.294 1.836 10 30 ADEEMO C=CCc1c(NC)nc(C)[nH+]c1C 196115609 571859574 /nfs/dbraw/zinc/85/95/74/571859574.db2.gz PQKKCERGZCUVFO-UHFFFAOYSA-N 1 1 177.251 1.864 10 30 ADEEMO C[C@]([NH3+])(C#N)CCSc1ncc[nH]1 235382296 571861267 /nfs/dbraw/zinc/86/12/67/571861267.db2.gz RLCRADHMUWIETD-MRVPVSSYSA-N 1 1 196.279 1.133 10 30 ADEEMO C#CC[N@@H+](C)Cc1ccc(N)cc1F 234248264 571861510 /nfs/dbraw/zinc/86/15/10/571861510.db2.gz GSODIYPZHHGWSR-UHFFFAOYSA-N 1 1 192.237 1.473 10 30 ADEEMO C#CC[N@H+](C)Cc1ccc(N)cc1F 234248264 571861516 /nfs/dbraw/zinc/86/15/16/571861516.db2.gz GSODIYPZHHGWSR-UHFFFAOYSA-N 1 1 192.237 1.473 10 30 ADEEMO CCON=C1CC[N@H+]2CCCC[C@@H]12 379368834 571861752 /nfs/dbraw/zinc/86/17/52/571861752.db2.gz ZCQYSFCXHHGWJY-JTQLQIEISA-N 1 1 182.267 1.637 10 30 ADEEMO C[C@]([NH3+])(C#N)CCSc1ncco1 235382442 571861969 /nfs/dbraw/zinc/86/19/69/571861969.db2.gz FEDWRBVJUHIQKR-MRVPVSSYSA-N 1 1 197.263 1.398 10 30 ADEEMO CCON=C1CC[N@H+]2CCCC[C@H]12 379368835 571862748 /nfs/dbraw/zinc/86/27/48/571862748.db2.gz ZCQYSFCXHHGWJY-SNVBAGLBSA-N 1 1 182.267 1.637 10 30 ADEEMO CC/[NH+]=C/c1cccc(O)c1 38915950 571864065 /nfs/dbraw/zinc/86/40/65/571864065.db2.gz RIWQIEAQNLFIDF-JXMROGBWSA-N 1 1 149.193 1.831 10 30 ADEEMO CC[N@H+](CC#CC(C)(C)C)CCCO 300730029 571864397 /nfs/dbraw/zinc/86/43/97/571864397.db2.gz FJDDWPDGAVAINV-UHFFFAOYSA-N 1 1 197.322 1.740 10 30 ADEEMO C=C[C@@H](C(=O)OC)[N@@H+](C)C(C)C 301045723 571867233 /nfs/dbraw/zinc/86/72/33/571867233.db2.gz NYSFSGZJIZGVOW-QMMMGPOBSA-N 1 1 171.240 1.054 10 30 ADEEMO C=C[C@@H](C(=O)OC)[N@H+](C)C(C)C 301045723 571867230 /nfs/dbraw/zinc/86/72/30/571867230.db2.gz NYSFSGZJIZGVOW-QMMMGPOBSA-N 1 1 171.240 1.054 10 30 ADEEMO CCOC(=O)[C@@H]([NH3+])CC#CC(C)(C)C 300739035 571867314 /nfs/dbraw/zinc/86/73/14/571867314.db2.gz HYBBEKPSXIVLAH-VIFPVBQESA-N 1 1 197.278 1.316 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@H+](C)C(C)C 301045722 571867938 /nfs/dbraw/zinc/86/79/38/571867938.db2.gz NYSFSGZJIZGVOW-MRVPVSSYSA-N 1 1 171.240 1.054 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@@H+](C)C(C)C 301045722 571867940 /nfs/dbraw/zinc/86/79/40/571867940.db2.gz NYSFSGZJIZGVOW-MRVPVSSYSA-N 1 1 171.240 1.054 10 30 ADEEMO CCOC(=O)[C@H]([NH3+])CC#CC(C)(C)C 300739033 571868628 /nfs/dbraw/zinc/86/86/28/571868628.db2.gz HYBBEKPSXIVLAH-SECBINFHSA-N 1 1 197.278 1.316 10 30 ADEEMO C=C[C@@H](C(=O)OC)n1cc[nH+]c1CC 301045968 571869167 /nfs/dbraw/zinc/86/91/67/571869167.db2.gz OCIDRUUYXJCWRC-QMMMGPOBSA-N 1 1 194.234 1.346 10 30 ADEEMO CC[C@@H]1C[N@@H+](CC[C@@H]2CO2)[C@@H](C)CO1 404122105 571870183 /nfs/dbraw/zinc/87/01/83/571870183.db2.gz UUOKONAGDJBDGZ-HBNTYKKESA-N 1 1 199.294 1.275 10 30 ADEEMO C=CC[N@@H+]1CC2=C(C)C(=O)C[C@H]2C1 39038675 571870261 /nfs/dbraw/zinc/87/02/61/571870261.db2.gz QRFFSIHRIARBOH-VIFPVBQESA-N 1 1 177.247 1.394 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@@H+]1CCCC[C@H]1C 301046731 571870565 /nfs/dbraw/zinc/87/05/65/571870565.db2.gz OZDCGIJPFCFVCG-NXEZZACHSA-N 1 1 197.278 1.588 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@H+]1CCCC[C@H]1C 301046731 571870568 /nfs/dbraw/zinc/87/05/68/571870568.db2.gz OZDCGIJPFCFVCG-NXEZZACHSA-N 1 1 197.278 1.588 10 30 ADEEMO C=C(C[NH3+])C[N@H+](C)CCCSC 300739890 571870730 /nfs/dbraw/zinc/87/07/30/571870730.db2.gz AASFJNQRWBGQPQ-UHFFFAOYSA-N 1 1 188.340 1.186 10 30 ADEEMO C=C(C[NH3+])CN(C)CCCSC 300739890 571870733 /nfs/dbraw/zinc/87/07/33/571870733.db2.gz AASFJNQRWBGQPQ-UHFFFAOYSA-N 1 1 188.340 1.186 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@@H+]1CCCC[C@@H]1C 301046733 571870755 /nfs/dbraw/zinc/87/07/55/571870755.db2.gz OZDCGIJPFCFVCG-VHSXEESVSA-N 1 1 197.278 1.588 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@H+]1CCCC[C@@H]1C 301046733 571870758 /nfs/dbraw/zinc/87/07/58/571870758.db2.gz OZDCGIJPFCFVCG-VHSXEESVSA-N 1 1 197.278 1.588 10 30 ADEEMO C=C[C@@H](C(=O)OC)[N@@H+]1CCCC[C@H]1C 301046734 571871672 /nfs/dbraw/zinc/87/16/72/571871672.db2.gz OZDCGIJPFCFVCG-ZJUUUORDSA-N 1 1 197.278 1.588 10 30 ADEEMO C=C[C@@H](C(=O)OC)[N@H+]1CCCC[C@H]1C 301046734 571871676 /nfs/dbraw/zinc/87/16/76/571871676.db2.gz OZDCGIJPFCFVCG-ZJUUUORDSA-N 1 1 197.278 1.588 10 30 ADEEMO C=C[C@@H](C(=O)OC)[N@@H+]1CCCC[C@@H]1C 301046732 571872074 /nfs/dbraw/zinc/87/20/74/571872074.db2.gz OZDCGIJPFCFVCG-UWVGGRQHSA-N 1 1 197.278 1.588 10 30 ADEEMO C=C[C@@H](C(=O)OC)[N@H+]1CCCC[C@@H]1C 301046732 571872078 /nfs/dbraw/zinc/87/20/78/571872078.db2.gz OZDCGIJPFCFVCG-UWVGGRQHSA-N 1 1 197.278 1.588 10 30 ADEEMO CC[C@@H]1C[N@@H+](CC[C@H]2CO2)[C@H](C)CO1 404122106 571872103 /nfs/dbraw/zinc/87/21/03/571872103.db2.gz UUOKONAGDJBDGZ-MXWKQRLJSA-N 1 1 199.294 1.275 10 30 ADEEMO C=C[C@@H](C(=O)OC)[N@H+](C)C1CCCC1 301048617 571872644 /nfs/dbraw/zinc/87/26/44/571872644.db2.gz QQTBNFJRSQFHIJ-JTQLQIEISA-N 1 1 197.278 1.588 10 30 ADEEMO C=C[C@@H](C(=O)OC)[N@@H+](C)C1CCCC1 301048617 571872645 /nfs/dbraw/zinc/87/26/45/571872645.db2.gz QQTBNFJRSQFHIJ-JTQLQIEISA-N 1 1 197.278 1.588 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@H+](C)C1CCCC1 301048620 571873113 /nfs/dbraw/zinc/87/31/13/571873113.db2.gz QQTBNFJRSQFHIJ-SNVBAGLBSA-N 1 1 197.278 1.588 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@@H+](C)C1CCCC1 301048620 571873117 /nfs/dbraw/zinc/87/31/17/571873117.db2.gz QQTBNFJRSQFHIJ-SNVBAGLBSA-N 1 1 197.278 1.588 10 30 ADEEMO CC(C)[N@H+]1CCC[C@@]1(C)C=O 39062736 571875788 /nfs/dbraw/zinc/87/57/88/571875788.db2.gz NQHSGSHDGLFRIT-VIFPVBQESA-N 1 1 155.241 1.448 10 30 ADEEMO CSCCC[N@@H+](C)C[C@H]1CO1 300746694 571876487 /nfs/dbraw/zinc/87/64/87/571876487.db2.gz DBFASDAJRBHYLV-QMMMGPOBSA-N 1 1 175.297 1.070 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@@H+](CCC)C1CC1 301053625 571876610 /nfs/dbraw/zinc/87/66/10/571876610.db2.gz YQGFYIMGBKFLHB-SNVBAGLBSA-N 1 1 197.278 1.588 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@H+](CCC)C1CC1 301053625 571876612 /nfs/dbraw/zinc/87/66/12/571876612.db2.gz YQGFYIMGBKFLHB-SNVBAGLBSA-N 1 1 197.278 1.588 10 30 ADEEMO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1C=O 39062855 571876716 /nfs/dbraw/zinc/87/67/16/571876716.db2.gz RRMRKIBJSZZATN-IWSPIJDZSA-N 1 1 155.241 1.162 10 30 ADEEMO O=C[C@H]1CCC[N@H+]2CCC[C@@H]12 39062424 571877159 /nfs/dbraw/zinc/87/71/59/571877159.db2.gz WHOJTBOIVKGOTN-BDAKNGLRSA-N 1 1 153.225 1.060 10 30 ADEEMO CC(C)[N@H+]1CCC[C@]1(C)C=O 39062738 571877166 /nfs/dbraw/zinc/87/71/66/571877166.db2.gz NQHSGSHDGLFRIT-SECBINFHSA-N 1 1 155.241 1.448 10 30 ADEEMO C=C[C@@H](C(=O)OC)[N@@H+](CCC)C1CC1 301053624 571877328 /nfs/dbraw/zinc/87/73/28/571877328.db2.gz YQGFYIMGBKFLHB-JTQLQIEISA-N 1 1 197.278 1.588 10 30 ADEEMO C=C[C@@H](C(=O)OC)[N@H+](CCC)C1CC1 301053624 571877332 /nfs/dbraw/zinc/87/73/32/571877332.db2.gz YQGFYIMGBKFLHB-JTQLQIEISA-N 1 1 197.278 1.588 10 30 ADEEMO Cc1c[nH+]cn1CCC#N 39078174 571881161 /nfs/dbraw/zinc/88/11/61/571881161.db2.gz UFRGCBLURLWTDR-UHFFFAOYSA-N 1 1 135.170 1.105 10 30 ADEEMO C[N@@H+](CCCO)CC1(CS)CC1 300751360 571878874 /nfs/dbraw/zinc/87/88/74/571878874.db2.gz HBTJLNDKWKGMLQ-UHFFFAOYSA-N 1 1 189.324 1.011 10 30 ADEEMO C[N@@H+](CCS)C(C)(C)C 39079778 571881593 /nfs/dbraw/zinc/88/15/93/571881593.db2.gz GOYZDCUPXALBIS-UHFFFAOYSA-N 1 1 147.287 1.647 10 30 ADEEMO CCC[N@H+]1CCC=C(C(C)=O)C1 39072067 571879788 /nfs/dbraw/zinc/87/97/88/571879788.db2.gz SLZNXZJJJWHDSC-UHFFFAOYSA-N 1 1 167.252 1.618 10 30 ADEEMO C#CCC[N@@H+]1CC[C@@H](CC)C[C@H]1CN 300029121 571880908 /nfs/dbraw/zinc/88/09/08/571880908.db2.gz ODBVGJRRHVEEPI-NEPJUHHUSA-N 1 1 194.322 1.459 10 30 ADEEMO C=CCC[N@@H+]1CC[C@H](C)C[C@H]1CN 300040137 571881045 /nfs/dbraw/zinc/88/10/45/571881045.db2.gz QUIPIRPBWPSLAR-QWRGUYRKSA-N 1 1 182.311 1.622 10 30 ADEEMO C=CCCN1CC[C@H](C)C[C@H]1C[NH3+] 300040137 571881049 /nfs/dbraw/zinc/88/10/49/571881049.db2.gz QUIPIRPBWPSLAR-QWRGUYRKSA-N 1 1 182.311 1.622 10 30 ADEEMO C[C@@H]1C[C@@H]1[NH2+]C[C@H](C#N)C(F)(F)F 300030934 571881392 /nfs/dbraw/zinc/88/13/92/571881392.db2.gz MBDQQRKLZARFBG-VQVTYTSYSA-N 1 1 192.184 1.686 10 30 ADEEMO C[C@@H]1C[C@H]1[NH2+]C[C@H](C#N)C(F)(F)F 300030933 571881908 /nfs/dbraw/zinc/88/19/08/571881908.db2.gz MBDQQRKLZARFBG-DSYKOEDSSA-N 1 1 192.184 1.686 10 30 ADEEMO CC[C@@](C)(C=O)C[N@H+]1CC[C@](C)(O)C1 300033672 571882042 /nfs/dbraw/zinc/88/20/42/571882042.db2.gz SNPCUSOLXYEBNM-MNOVXSKESA-N 1 1 199.294 1.058 10 30 ADEEMO CC(C)(C)C#CC[N@@H+](CCO)C1CC1 300755814 571882112 /nfs/dbraw/zinc/88/21/12/571882112.db2.gz MNKSKTSGKUDZDW-UHFFFAOYSA-N 1 1 195.306 1.493 10 30 ADEEMO CCC[N@H+](CC#CC(C)(C)C)CCO 300755794 571883505 /nfs/dbraw/zinc/88/35/05/571883505.db2.gz MMOZOSLJZMOWSA-UHFFFAOYSA-N 1 1 197.322 1.740 10 30 ADEEMO C#CCC[N@@H+]1CC[C@H](CC)C[C@H]1CN 300029123 571884057 /nfs/dbraw/zinc/88/40/57/571884057.db2.gz ODBVGJRRHVEEPI-RYUDHWBXSA-N 1 1 194.322 1.459 10 30 ADEEMO CC[C@](C)(C=O)C[N@H+]1CC[C@](C)(O)C1 300033674 571884103 /nfs/dbraw/zinc/88/41/03/571884103.db2.gz SNPCUSOLXYEBNM-QWRGUYRKSA-N 1 1 199.294 1.058 10 30 ADEEMO COC[C@H]1CCC[N@H+]([C@H](C)CC#N)C1 300043932 571884936 /nfs/dbraw/zinc/88/49/36/571884936.db2.gz MSABNLXAORULGW-MNOVXSKESA-N 1 1 196.294 1.647 10 30 ADEEMO CC[C@@H](CC#N)[N@H+]1CC[C@H](OC)C1 300042477 571886576 /nfs/dbraw/zinc/88/65/76/571886576.db2.gz PVENGLFBSKMTTN-UWVGGRQHSA-N 1 1 182.267 1.399 10 30 ADEEMO CC[N@@H+](C/C=C\CS)CCC#N 211594543 571885039 /nfs/dbraw/zinc/88/50/39/571885039.db2.gz XFTAYJHVRHHXGL-ARJAWSKDSA-N 1 1 184.308 1.708 10 30 ADEEMO CC[N@H+](C/C=C\CS)CCC#N 211594543 571885042 /nfs/dbraw/zinc/88/50/42/571885042.db2.gz XFTAYJHVRHHXGL-ARJAWSKDSA-N 1 1 184.308 1.708 10 30 ADEEMO CCC[N@H+]1CC[C@@H]2O[C@]2(C)C1 39080747 571885214 /nfs/dbraw/zinc/88/52/14/571885214.db2.gz DQPOEWBDJNCDDC-DTWKUNHWSA-N 1 1 155.241 1.260 10 30 ADEEMO CC[C@H](CC#N)[N@H+]1CC[C@H](OC)C1 300042478 571886159 /nfs/dbraw/zinc/88/61/59/571886159.db2.gz PVENGLFBSKMTTN-ZJUUUORDSA-N 1 1 182.267 1.399 10 30 ADEEMO CO[C@H]1CC[N@@H+](C[C@H](C)CS)C1 300044759 571886166 /nfs/dbraw/zinc/88/61/66/571886166.db2.gz FDCBTPLIRWSXDJ-IUCAKERBSA-N 1 1 189.324 1.273 10 30 ADEEMO CC[C@](C)(C=O)C[N@H+]1CC[C@H](OC)C1 300046321 571886186 /nfs/dbraw/zinc/88/61/86/571886186.db2.gz TXJSFURFZQJNCT-QWRGUYRKSA-N 1 1 199.294 1.322 10 30 ADEEMO COC[C@@H]1CCC[N@H+]([C@H](C)CC#N)C1 300043931 571886436 /nfs/dbraw/zinc/88/64/36/571886436.db2.gz MSABNLXAORULGW-GHMZBOCLSA-N 1 1 196.294 1.647 10 30 ADEEMO CC[C@@](C)(C=O)C[N@H+]1CC[C@H](OC)C1 300046322 571886657 /nfs/dbraw/zinc/88/66/57/571886657.db2.gz TXJSFURFZQJNCT-WDEREUQCSA-N 1 1 199.294 1.322 10 30 ADEEMO CO[C@@H]1CC[N@@H+](C[C@H](C)CS)C1 300044758 571886748 /nfs/dbraw/zinc/88/67/48/571886748.db2.gz FDCBTPLIRWSXDJ-DTWKUNHWSA-N 1 1 189.324 1.273 10 30 ADEEMO C=C(C)C[NH+]1CC(O)(C2CC2)C1 84377128 571886973 /nfs/dbraw/zinc/88/69/73/571886973.db2.gz LMSQPVDORQWWMN-UHFFFAOYSA-N 1 1 167.252 1.019 10 30 ADEEMO C=CC[N@@H+](CCO)CCCC(F)F 687875295 571887843 /nfs/dbraw/zinc/88/78/43/571887843.db2.gz PGBPXDSWBRJJKM-UHFFFAOYSA-N 1 1 193.237 1.512 10 30 ADEEMO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc[nH]c1 85579866 571889156 /nfs/dbraw/zinc/88/91/56/571889156.db2.gz GZLSKUCWWXLYFR-QWRGUYRKSA-N 1 1 189.262 1.797 10 30 ADEEMO C[N@@H+](CCCO)[C@@H]1CCCC[C@@H]1C#N 300759944 571890622 /nfs/dbraw/zinc/89/06/22/571890622.db2.gz ALRIAZBZSFBBJZ-GHMZBOCLSA-N 1 1 196.294 1.383 10 30 ADEEMO C[N@@H+](CCCO)[C@H]1CCCC[C@H]1C#N 300759946 571890813 /nfs/dbraw/zinc/89/08/13/571890813.db2.gz ALRIAZBZSFBBJZ-QWRGUYRKSA-N 1 1 196.294 1.383 10 30 ADEEMO C[N@@H+](CCCO)[C@@H]1CCCC[C@H]1C#N 300759947 571890893 /nfs/dbraw/zinc/89/08/93/571890893.db2.gz ALRIAZBZSFBBJZ-WDEREUQCSA-N 1 1 196.294 1.383 10 30 ADEEMO C[C@@H](C#N)N1CC[N@H+]2CCCC[C@@H]2C1 86929879 571890990 /nfs/dbraw/zinc/89/09/90/571890990.db2.gz HVQFWGIUVZTGFR-WDEREUQCSA-N 1 1 193.294 1.069 10 30 ADEEMO C[C@H](C#N)N1CC[N@H+]2CCCC[C@@H]2C1 86929880 571891139 /nfs/dbraw/zinc/89/11/39/571891139.db2.gz HVQFWGIUVZTGFR-GHMZBOCLSA-N 1 1 193.294 1.069 10 30 ADEEMO C#C[C@@H](CC)N(C)C[C@H]1CCC[NH2+]C1 300058793 571891375 /nfs/dbraw/zinc/89/13/75/571891375.db2.gz YLVJTSWNYGAIIZ-RYUDHWBXSA-N 1 1 194.322 1.330 10 30 ADEEMO C[C@@]1(O)CC[N@@H+](CCCCS)C1 235417172 571892660 /nfs/dbraw/zinc/89/26/60/571892660.db2.gz QQIHZDGBDOZTHA-SECBINFHSA-N 1 1 189.324 1.153 10 30 ADEEMO C=C(C)[C@H]1CC[N@H+]2CCC[C@H]2[C@H]1O 139146380 571891945 /nfs/dbraw/zinc/89/19/45/571891945.db2.gz SMYLAFFSRQDQMC-VWYCJHECSA-N 1 1 181.279 1.408 10 30 ADEEMO C=C(C)[C@H]1CC[N@H+]2CCCC[C@H]2[C@H]1O 139146523 571891968 /nfs/dbraw/zinc/89/19/68/571891968.db2.gz OQSFYENVRIFLJY-WOPDTQHZSA-N 1 1 195.306 1.798 10 30 ADEEMO COC[C@H]1CCC[N@@H+](C[C@H](C)C#N)C1 300056641 571892017 /nfs/dbraw/zinc/89/20/17/571892017.db2.gz MAYQUVBRUZXXPS-MNOVXSKESA-N 1 1 196.294 1.504 10 30 ADEEMO C#C[C@H](CC)N(C)C[C@H]1CCC[NH2+]C1 300058692 571892117 /nfs/dbraw/zinc/89/21/17/571892117.db2.gz YLVJTSWNYGAIIZ-NWDGAFQWSA-N 1 1 194.322 1.330 10 30 ADEEMO C=CC[NH2+][C@]1(CN)C[C@H]2CC[C@H](C2)C1 711089227 571892591 /nfs/dbraw/zinc/89/25/91/571892591.db2.gz GEXGWJPDDXSRTR-GDNZZTSVSA-N 1 1 194.322 1.670 10 30 ADEEMO C[N@@H+](CCCO)CC(C)(C)CS 300762438 571892926 /nfs/dbraw/zinc/89/29/26/571892926.db2.gz NAKMONNGKQVXBQ-UHFFFAOYSA-N 1 1 191.340 1.257 10 30 ADEEMO CCCC[NH+]=CN(O)C(C)(C)C 687727166 571893237 /nfs/dbraw/zinc/89/32/37/571893237.db2.gz XWRGMMHTHLTDOJ-FLIBITNWSA-N 1 1 172.272 1.713 10 30 ADEEMO CCCC[NH+]=CN(O)C(C)(C)C 687727165 571893272 /nfs/dbraw/zinc/89/32/72/571893272.db2.gz XWRGMMHTHLTDOJ-DHZHZOJOSA-N 1 1 172.272 1.713 10 30 ADEEMO COC[C@@H]1CCC[N@@H+](C[C@H](C)C#N)C1 300056639 571893450 /nfs/dbraw/zinc/89/34/50/571893450.db2.gz MAYQUVBRUZXXPS-GHMZBOCLSA-N 1 1 196.294 1.504 10 30 ADEEMO C=CCC[C@@H](C)[NH2+]Cc1noc(C)n1 235416213 571893865 /nfs/dbraw/zinc/89/38/65/571893865.db2.gz JUAVWQHIPIRJOC-MRVPVSSYSA-N 1 1 195.266 1.822 10 30 ADEEMO C=CC[NH2+][C@@]1(CN)C[C@H]2CC[C@H](C2)C1 711089229 571893955 /nfs/dbraw/zinc/89/39/55/571893955.db2.gz GEXGWJPDDXSRTR-ZSBIGDGJSA-N 1 1 194.322 1.670 10 30 ADEEMO CC[C@H](CS)C[N@@H+](C)CCCO 300761257 571894210 /nfs/dbraw/zinc/89/42/10/571894210.db2.gz MLZJUGFXUKQVIZ-VIFPVBQESA-N 1 1 191.340 1.257 10 30 ADEEMO CC[C@@H](CS)C[N@@H+](C)CCCO 300761256 571894271 /nfs/dbraw/zinc/89/42/71/571894271.db2.gz MLZJUGFXUKQVIZ-SECBINFHSA-N 1 1 191.340 1.257 10 30 ADEEMO C#C[C@@H](C)[N@@H+](CC)C[C@H]1CCC[NH2+]C1 300059626 571894299 /nfs/dbraw/zinc/89/42/99/571894299.db2.gz BDNFNDNXXJOZDL-NEPJUHHUSA-N 1 1 194.322 1.330 10 30 ADEEMO C#C[C@@H](C)N(CC)C[C@H]1CCC[NH2+]C1 300059626 571894301 /nfs/dbraw/zinc/89/43/01/571894301.db2.gz BDNFNDNXXJOZDL-NEPJUHHUSA-N 1 1 194.322 1.330 10 30 ADEEMO C#C[C@H](C)[N@@H+](CC)C[C@H]1CCC[NH2+]C1 300059627 571894606 /nfs/dbraw/zinc/89/46/06/571894606.db2.gz BDNFNDNXXJOZDL-RYUDHWBXSA-N 1 1 194.322 1.330 10 30 ADEEMO C#C[C@H](C)N(CC)C[C@H]1CCC[NH2+]C1 300059627 571894608 /nfs/dbraw/zinc/89/46/08/571894608.db2.gz BDNFNDNXXJOZDL-RYUDHWBXSA-N 1 1 194.322 1.330 10 30 ADEEMO C=C[C@H](C)[N@@H+](C)C[C@H]1CCC[NH2+]C1 300057515 571895134 /nfs/dbraw/zinc/89/51/34/571895134.db2.gz QAUXBMCEJHOBNJ-QWRGUYRKSA-N 1 1 182.311 1.492 10 30 ADEEMO C=C[C@H](C)N(C)C[C@H]1CCC[NH2+]C1 300057515 571895139 /nfs/dbraw/zinc/89/51/39/571895139.db2.gz QAUXBMCEJHOBNJ-QWRGUYRKSA-N 1 1 182.311 1.492 10 30 ADEEMO C=C[C@@H](C)[N@@H+](C)C[C@H]1CCC[NH2+]C1 300057514 571895635 /nfs/dbraw/zinc/89/56/35/571895635.db2.gz QAUXBMCEJHOBNJ-MNOVXSKESA-N 1 1 182.311 1.492 10 30 ADEEMO C=C[C@@H](C)N(C)C[C@H]1CCC[NH2+]C1 300057514 571895641 /nfs/dbraw/zinc/89/56/41/571895641.db2.gz QAUXBMCEJHOBNJ-MNOVXSKESA-N 1 1 182.311 1.492 10 30 ADEEMO C=CC[C@@H](C)[NH2+]Cc1noc(C)n1 235423027 571897389 /nfs/dbraw/zinc/89/73/89/571897389.db2.gz JEDCILGNAXAARW-SSDOTTSWSA-N 1 1 181.239 1.432 10 30 ADEEMO C=[NH+]CCNc1ccc([N+](=O)[O-])cc1 687727391 571898172 /nfs/dbraw/zinc/89/81/72/571898172.db2.gz XREFHELLYGLASH-UHFFFAOYSA-N 1 1 193.206 1.707 10 30 ADEEMO C/[NH+]=C\c1ccccc1OC 100290873 571898726 /nfs/dbraw/zinc/89/87/26/571898726.db2.gz BKWMHLUBGZTQLW-YFHOEESVSA-N 1 1 149.193 1.744 10 30 ADEEMO CC(C)[N@H+]1CCC[C@@H](S)C1 39103649 571898777 /nfs/dbraw/zinc/89/87/77/571898777.db2.gz IVARSBCMHRNJRH-MRVPVSSYSA-N 1 1 159.298 1.789 10 30 ADEEMO CC(C)[N@H+]1CCC[C@H](S)C1 39103648 571898817 /nfs/dbraw/zinc/89/88/17/571898817.db2.gz IVARSBCMHRNJRH-QMMMGPOBSA-N 1 1 159.298 1.789 10 30 ADEEMO C=CC[C@@H](C)NC[C@H]1CCC[NH2+]1 235421067 571898864 /nfs/dbraw/zinc/89/88/64/571898864.db2.gz VBXRCMFEASXIKE-NXEZZACHSA-N 1 1 168.284 1.293 10 30 ADEEMO C=CC[C@@H](C)NC[C@@H]1CCC[NH2+]1 235420424 571899085 /nfs/dbraw/zinc/89/90/85/571899085.db2.gz VBXRCMFEASXIKE-ZJUUUORDSA-N 1 1 168.284 1.293 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@H+](C)[C@H](C)C(C)C 301052404 571899123 /nfs/dbraw/zinc/89/91/23/571899123.db2.gz WCNAKDJFYBQTRT-NXEZZACHSA-N 1 1 199.294 1.690 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@@H+](C)[C@H](C)C(C)C 301052404 571899126 /nfs/dbraw/zinc/89/91/26/571899126.db2.gz WCNAKDJFYBQTRT-NXEZZACHSA-N 1 1 199.294 1.690 10 30 ADEEMO N#CCC[C@H]1CCc2[nH+]c[nH]c2C1 39133070 571899239 /nfs/dbraw/zinc/89/92/39/571899239.db2.gz FGDMLVKSPALRDJ-QMMMGPOBSA-N 1 1 175.235 1.818 10 30 ADEEMO N#CCC[C@H]1CCc2[nH]c[nH+]c2C1 39133070 571899242 /nfs/dbraw/zinc/89/92/42/571899242.db2.gz FGDMLVKSPALRDJ-QMMMGPOBSA-N 1 1 175.235 1.818 10 30 ADEEMO CSCCC[N@@H+](C)CCC=O 300764001 571899355 /nfs/dbraw/zinc/89/93/55/571899355.db2.gz NSUUPKSHOQRXBA-UHFFFAOYSA-N 1 1 175.297 1.260 10 30 ADEEMO N#CCC[C@@H]1CCc2[nH+]c[nH]c2C1 39133071 571899892 /nfs/dbraw/zinc/89/98/92/571899892.db2.gz FGDMLVKSPALRDJ-MRVPVSSYSA-N 1 1 175.235 1.818 10 30 ADEEMO N#CCC[C@@H]1CCc2[nH]c[nH+]c2C1 39133071 571899896 /nfs/dbraw/zinc/89/98/96/571899896.db2.gz FGDMLVKSPALRDJ-MRVPVSSYSA-N 1 1 175.235 1.818 10 30 ADEEMO C=C[C@@H](C(=O)OC)[N@H+](C)[C@@H](C)C(C)C 301052405 571900047 /nfs/dbraw/zinc/90/00/47/571900047.db2.gz WCNAKDJFYBQTRT-UWVGGRQHSA-N 1 1 199.294 1.690 10 30 ADEEMO C=C[C@@H](C(=O)OC)[N@@H+](C)[C@@H](C)C(C)C 301052405 571900049 /nfs/dbraw/zinc/90/00/49/571900049.db2.gz WCNAKDJFYBQTRT-UWVGGRQHSA-N 1 1 199.294 1.690 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@H+](C)[C@@H](C)C(C)C 301052406 571900233 /nfs/dbraw/zinc/90/02/33/571900233.db2.gz WCNAKDJFYBQTRT-VHSXEESVSA-N 1 1 199.294 1.690 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@@H+](C)[C@@H](C)C(C)C 301052406 571900235 /nfs/dbraw/zinc/90/02/35/571900235.db2.gz WCNAKDJFYBQTRT-VHSXEESVSA-N 1 1 199.294 1.690 10 30 ADEEMO C=C[C@@H](C(=O)OC)[N@H+](C)C(C)(C)CC 301052534 571900490 /nfs/dbraw/zinc/90/04/90/571900490.db2.gz WJTPMAJBDYWXJR-VIFPVBQESA-N 1 1 199.294 1.834 10 30 ADEEMO CC(=O)NCC/[NH+]=C\c1ccccc1 100296038 571901294 /nfs/dbraw/zinc/90/12/94/571901294.db2.gz ADEHXNGPNMIYHE-XFXZXTDPSA-N 1 1 190.246 1.242 10 30 ADEEMO C=C[C@@H](C(=O)OC)[N@H+](C)[C@H](C)C(C)C 301052407 571901321 /nfs/dbraw/zinc/90/13/21/571901321.db2.gz WCNAKDJFYBQTRT-ZJUUUORDSA-N 1 1 199.294 1.690 10 30 ADEEMO C=C[C@@H](C(=O)OC)[N@@H+](C)[C@H](C)C(C)C 301052407 571901325 /nfs/dbraw/zinc/90/13/25/571901325.db2.gz WCNAKDJFYBQTRT-ZJUUUORDSA-N 1 1 199.294 1.690 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@H+](C)C(C)(C)CC 301052533 571901600 /nfs/dbraw/zinc/90/16/00/571901600.db2.gz WJTPMAJBDYWXJR-SECBINFHSA-N 1 1 199.294 1.834 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@H+](C)[C@H](C)C1CC1 301053191 571902458 /nfs/dbraw/zinc/90/24/58/571902458.db2.gz XSJQOXZOYWADGR-PSASIEDQSA-N 1 1 197.278 1.444 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@@H+](C)[C@H](C)C1CC1 301053191 571902459 /nfs/dbraw/zinc/90/24/59/571902459.db2.gz XSJQOXZOYWADGR-PSASIEDQSA-N 1 1 197.278 1.444 10 30 ADEEMO C=C[C@@H](C(=O)OC)[N@H+](C)[C@@H](C)C1CC1 301053194 571903528 /nfs/dbraw/zinc/90/35/28/571903528.db2.gz XSJQOXZOYWADGR-WPRPVWTQSA-N 1 1 197.278 1.444 10 30 ADEEMO C=C[C@@H](C(=O)OC)[N@@H+](C)[C@@H](C)C1CC1 301053194 571903532 /nfs/dbraw/zinc/90/35/32/571903532.db2.gz XSJQOXZOYWADGR-WPRPVWTQSA-N 1 1 197.278 1.444 10 30 ADEEMO C=C[C@@H](C(=O)OC)[N@H+](C)[C@H](C)C1CC1 301053192 571903067 /nfs/dbraw/zinc/90/30/67/571903067.db2.gz XSJQOXZOYWADGR-SCZZXKLOSA-N 1 1 197.278 1.444 10 30 ADEEMO C=C[C@@H](C(=O)OC)[N@@H+](C)[C@H](C)C1CC1 301053192 571903069 /nfs/dbraw/zinc/90/30/69/571903069.db2.gz XSJQOXZOYWADGR-SCZZXKLOSA-N 1 1 197.278 1.444 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@H+](C)[C@@H](C)C1CC1 301053193 571903179 /nfs/dbraw/zinc/90/31/79/571903179.db2.gz XSJQOXZOYWADGR-WCBMZHEXSA-N 1 1 197.278 1.444 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@@H+](C)[C@@H](C)C1CC1 301053193 571903183 /nfs/dbraw/zinc/90/31/83/571903183.db2.gz XSJQOXZOYWADGR-WCBMZHEXSA-N 1 1 197.278 1.444 10 30 ADEEMO C#C/C=C/[NH2+]C/C=C\C 211911133 571903186 /nfs/dbraw/zinc/90/31/86/571903186.db2.gz UIPLFQMYCWMTIN-XGXWUAJZSA-N 1 1 121.183 1.299 10 30 ADEEMO C[N@H+]1CC[C@@]2(CC[C@@](C)(CC#N)O2)C1 686226572 571903803 /nfs/dbraw/zinc/90/38/03/571903803.db2.gz FNMZPVWIUZJVQD-QWRGUYRKSA-N 1 1 194.278 1.543 10 30 ADEEMO C[N@H+]1CC[C@]2(CC[C@](C)(CC#N)O2)C1 686226555 571903862 /nfs/dbraw/zinc/90/38/62/571903862.db2.gz FNMZPVWIUZJVQD-GHMZBOCLSA-N 1 1 194.278 1.543 10 30 ADEEMO C[N@H+]1CC[C@]2(CC[C@@](C)(CC#N)O2)C1 686226574 571903923 /nfs/dbraw/zinc/90/39/23/571903923.db2.gz FNMZPVWIUZJVQD-WDEREUQCSA-N 1 1 194.278 1.543 10 30 ADEEMO CSC(=[NH2+])N(O)[C@@H](C)C(C)(C)C 687728174 571904077 /nfs/dbraw/zinc/90/40/77/571904077.db2.gz BLGSVTWLYLQUMR-AJNUETJASA-N 1 1 190.312 1.609 10 30 ADEEMO CSC(=[NH2+])N(O)[C@@H](C)C(C)(C)C 687728175 571904094 /nfs/dbraw/zinc/90/40/94/571904094.db2.gz BLGSVTWLYLQUMR-FQUWQITNSA-N 1 1 190.312 1.609 10 30 ADEEMO CSC(=[NH2+])N(O)[C@H](C)C(C)(C)C 687728176 571904405 /nfs/dbraw/zinc/90/44/05/571904405.db2.gz BLGSVTWLYLQUMR-PAOVOLMOSA-N 1 1 190.312 1.609 10 30 ADEEMO CSC(=[NH2+])N(O)[C@H](C)C(C)(C)C 687728177 571904437 /nfs/dbraw/zinc/90/44/37/571904437.db2.gz BLGSVTWLYLQUMR-RSCIBMLMSA-N 1 1 190.312 1.609 10 30 ADEEMO C[N@H+]1CC[C@@]2(CC[C@](C)(CC#N)O2)C1 686226570 571905153 /nfs/dbraw/zinc/90/51/53/571905153.db2.gz FNMZPVWIUZJVQD-MNOVXSKESA-N 1 1 194.278 1.543 10 30 ADEEMO C#CC[C@@H](C)[NH2+]C[C@@H]1CCCCN1 235435314 571905204 /nfs/dbraw/zinc/90/52/04/571905204.db2.gz GFDTYRZXNSQTEM-MNOVXSKESA-N 1 1 180.295 1.130 10 30 ADEEMO C=C[C@@H](C(=O)OC)[N@@H+](CC)[C@@H](C)CC 300769265 571905370 /nfs/dbraw/zinc/90/53/70/571905370.db2.gz AOZCVJZCKYXUJE-UWVGGRQHSA-N 1 1 199.294 1.834 10 30 ADEEMO C=C[C@@H](C(=O)OC)[N@H+](CC)[C@@H](C)CC 300769265 571905372 /nfs/dbraw/zinc/90/53/72/571905372.db2.gz AOZCVJZCKYXUJE-UWVGGRQHSA-N 1 1 199.294 1.834 10 30 ADEEMO C#CC[NH2+]CC(=O)CC#CC(C)(C)C 300767555 571906720 /nfs/dbraw/zinc/90/67/20/571906720.db2.gz PAMLIZWQOZHNAO-UHFFFAOYSA-N 1 1 191.274 1.218 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@@H+](CC)[C@H](C)CC 300769263 571907105 /nfs/dbraw/zinc/90/71/05/571907105.db2.gz AOZCVJZCKYXUJE-NXEZZACHSA-N 1 1 199.294 1.834 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@H+](CC)[C@H](C)CC 300769263 571907108 /nfs/dbraw/zinc/90/71/08/571907108.db2.gz AOZCVJZCKYXUJE-NXEZZACHSA-N 1 1 199.294 1.834 10 30 ADEEMO C=C[C@@H](C(=O)OC)[N@@H+](CC)[C@H](C)CC 300769267 571907216 /nfs/dbraw/zinc/90/72/16/571907216.db2.gz AOZCVJZCKYXUJE-ZJUUUORDSA-N 1 1 199.294 1.834 10 30 ADEEMO C=C[C@@H](C(=O)OC)[N@H+](CC)[C@H](C)CC 300769267 571907217 /nfs/dbraw/zinc/90/72/17/571907217.db2.gz AOZCVJZCKYXUJE-ZJUUUORDSA-N 1 1 199.294 1.834 10 30 ADEEMO C=C[C@@H](C(=O)OC)[N@@H+](C)[C@H](C)CCC 300770598 571909033 /nfs/dbraw/zinc/90/90/33/571909033.db2.gz AYOMLZYVPZEMIV-ZJUUUORDSA-N 1 1 199.294 1.834 10 30 ADEEMO C=C[C@@H](C(=O)OC)[N@H+](C)[C@H](C)CCC 300770598 571909036 /nfs/dbraw/zinc/90/90/36/571909036.db2.gz AYOMLZYVPZEMIV-ZJUUUORDSA-N 1 1 199.294 1.834 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCCC[C@@H]1C(=O)OC 109119840 571909874 /nfs/dbraw/zinc/90/98/74/571909874.db2.gz TZKLJWBXIRVPEG-NXEZZACHSA-N 1 1 197.278 1.588 10 30 ADEEMO C=C[C@@H](C)[N@@H+]1CCCC[C@@H]1C(=O)OC 109119840 571909879 /nfs/dbraw/zinc/90/98/79/571909879.db2.gz TZKLJWBXIRVPEG-NXEZZACHSA-N 1 1 197.278 1.588 10 30 ADEEMO C=C[C@@H](C(=O)OC)[N@H+](C)[C@@H](C)CCC 300770596 571909954 /nfs/dbraw/zinc/90/99/54/571909954.db2.gz AYOMLZYVPZEMIV-UWVGGRQHSA-N 1 1 199.294 1.834 10 30 ADEEMO C=C[C@@H](C(=O)OC)[N@@H+](C)[C@@H](C)CCC 300770596 571909949 /nfs/dbraw/zinc/90/99/49/571909949.db2.gz AYOMLZYVPZEMIV-UWVGGRQHSA-N 1 1 199.294 1.834 10 30 ADEEMO C[N@H+]1CC[C@@H](/C=C/CC=O)C1 687678032 571910013 /nfs/dbraw/zinc/91/00/13/571910013.db2.gz LZQDGWDFMZZVOW-HDMKULJXSA-N 1 1 153.225 1.083 10 30 ADEEMO CCN(C)N=C1CC[N@@H+](C)C[C@H]1C 308465665 571910429 /nfs/dbraw/zinc/91/04/29/571910429.db2.gz IYVIEHOJIIRXNM-SECBINFHSA-N 1 1 183.299 1.266 10 30 ADEEMO C[N@H+]1CCC[C@@H]1/C=C/CC=O 687678035 571910812 /nfs/dbraw/zinc/91/08/12/571910812.db2.gz SNWAKOLLRGBRCC-MAHOQKISSA-N 1 1 153.225 1.226 10 30 ADEEMO C[N@H+]1CCC[C@H]1/C=C/CC=O 687678036 571911378 /nfs/dbraw/zinc/91/13/78/571911378.db2.gz SNWAKOLLRGBRCC-OSOUNJMWSA-N 1 1 153.225 1.226 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCCC[C@@H]1C(=O)OC 109119838 571911884 /nfs/dbraw/zinc/91/18/84/571911884.db2.gz TZKLJWBXIRVPEG-VHSXEESVSA-N 1 1 197.278 1.588 10 30 ADEEMO C=C[C@H](C)[N@@H+]1CCCC[C@@H]1C(=O)OC 109119838 571911887 /nfs/dbraw/zinc/91/18/87/571911887.db2.gz TZKLJWBXIRVPEG-VHSXEESVSA-N 1 1 197.278 1.588 10 30 ADEEMO C[N@H+]1CCC[C@@H]1/C=C/CC#N 687677976 571911984 /nfs/dbraw/zinc/91/19/84/571911984.db2.gz UBNJSGRNLKWZLW-MAHOQKISSA-N 1 1 150.225 1.550 10 30 ADEEMO C[N@H+]1CC[C@H](/C=C/CC=O)C1 687678033 571912270 /nfs/dbraw/zinc/91/22/70/571912270.db2.gz LZQDGWDFMZZVOW-LXOKAJLYSA-N 1 1 153.225 1.083 10 30 ADEEMO C[N@H+]1CCC[C@H]1/C=C/CC#N 687677977 571912277 /nfs/dbraw/zinc/91/22/77/571912277.db2.gz UBNJSGRNLKWZLW-OSOUNJMWSA-N 1 1 150.225 1.550 10 30 ADEEMO C[N@H+]1CC[C@@H](C/C=C/CC=O)C1 687678761 571912968 /nfs/dbraw/zinc/91/29/68/571912968.db2.gz IGACAMLZHYHPHJ-VMZHVLLKSA-N 1 1 167.252 1.473 10 30 ADEEMO C[N@H+]1CCC[C@@H]1C/C=C/CC#N 687678609 571913140 /nfs/dbraw/zinc/91/31/40/571913140.db2.gz JXFIGOAQJFOTRA-PBKGFPTLSA-N 1 1 164.252 1.941 10 30 ADEEMO CC[N@H+]1CCC[C@H]1/C=C/CC#N 687678605 571913360 /nfs/dbraw/zinc/91/33/60/571913360.db2.gz FYLOZRBRHOIXJB-QLCVYAKKSA-N 1 1 164.252 1.941 10 30 ADEEMO C[N@H+]1CC[C@H](C/C=C/CC#N)C1 687678616 571913567 /nfs/dbraw/zinc/91/35/67/571913567.db2.gz TYKULYKBKGQJDG-PBKGFPTLSA-N 1 1 164.252 1.798 10 30 ADEEMO CC[N@H+]1CC[C@@H](/C=C/CC#N)C1 687678612 571913598 /nfs/dbraw/zinc/91/35/98/571913598.db2.gz NJVWQTVRONAHFC-RXNUUUNCSA-N 1 1 164.252 1.798 10 30 ADEEMO CC[N@H+]1CC[C@H](/C=C/CC=O)C1 687678764 571913656 /nfs/dbraw/zinc/91/36/56/571913656.db2.gz KYPDXKUGGKTGIP-GFAPAMAISA-N 1 1 167.252 1.473 10 30 ADEEMO C[N@H+]1CCC[C@H]1C/C=C/CC#N 687678610 571913736 /nfs/dbraw/zinc/91/37/36/571913736.db2.gz JXFIGOAQJFOTRA-VMZHVLLKSA-N 1 1 164.252 1.941 10 30 ADEEMO C[N@H+]1CCC[C@@H](/C=C/CC#N)C1 687678614 571913781 /nfs/dbraw/zinc/91/37/81/571913781.db2.gz ONBWOKOBNCBFTI-JYBNPQIESA-N 1 1 164.252 1.798 10 30 ADEEMO C=C[C@@H](C)N(C)C[C@@H]1CCC[NH2+]C1 235442094 571913986 /nfs/dbraw/zinc/91/39/86/571913986.db2.gz QAUXBMCEJHOBNJ-GHMZBOCLSA-N 1 1 182.311 1.492 10 30 ADEEMO CC[N@H+]1CCC[C@@H]1/C=C/CC#N 687678606 571914299 /nfs/dbraw/zinc/91/42/99/571914299.db2.gz FYLOZRBRHOIXJB-YVGDHZEHSA-N 1 1 164.252 1.941 10 30 ADEEMO CC[N@H+]1CC[C@@H](/C=C/CC=O)C1 687678765 571914455 /nfs/dbraw/zinc/91/44/55/571914455.db2.gz KYPDXKUGGKTGIP-RXNUUUNCSA-N 1 1 167.252 1.473 10 30 ADEEMO C[N@H+]1CC[C@@H](C/C=C/CC#N)C1 687678617 571914867 /nfs/dbraw/zinc/91/48/67/571914867.db2.gz TYKULYKBKGQJDG-VMZHVLLKSA-N 1 1 164.252 1.798 10 30 ADEEMO C[N@H+]1CCC[C@H](/C=C/CC#N)C1 687678613 571914972 /nfs/dbraw/zinc/91/49/72/571914972.db2.gz ONBWOKOBNCBFTI-FWYAXHSGSA-N 1 1 164.252 1.798 10 30 ADEEMO COC[C@H]1CCC[N@@H+](CCS)C1 234732734 571915094 /nfs/dbraw/zinc/91/50/94/571915094.db2.gz CTPJGPCNGPOCPS-VIFPVBQESA-N 1 1 189.324 1.275 10 30 ADEEMO C[NH+](C)[C@](C)(C=O)c1ccccc1 39244780 571915126 /nfs/dbraw/zinc/91/51/26/571915126.db2.gz FRCNMIODWBGSGO-LLVKDONJSA-N 1 1 177.247 1.662 10 30 ADEEMO C[NH+](C)[C@@](C)(C=O)c1ccccc1 39244781 571915247 /nfs/dbraw/zinc/91/52/47/571915247.db2.gz FRCNMIODWBGSGO-NSHDSACASA-N 1 1 177.247 1.662 10 30 ADEEMO C[N@H+]1CC[C@H](C/C=C/CC=O)C1 687678760 571915296 /nfs/dbraw/zinc/91/52/96/571915296.db2.gz IGACAMLZHYHPHJ-PBKGFPTLSA-N 1 1 167.252 1.473 10 30 ADEEMO CC[N@H+]1CC[C@H](/C=C/CC#N)C1 687678611 571915329 /nfs/dbraw/zinc/91/53/29/571915329.db2.gz NJVWQTVRONAHFC-GFAPAMAISA-N 1 1 164.252 1.798 10 30 ADEEMO COC[C@@H]1CCC[N@@H+](CCS)C1 234732402 571916006 /nfs/dbraw/zinc/91/60/06/571916006.db2.gz CTPJGPCNGPOCPS-SECBINFHSA-N 1 1 189.324 1.275 10 30 ADEEMO C#CC[N@H+](C)[C@@H]1CCCC[C@H]1OC 687729581 571921280 /nfs/dbraw/zinc/92/12/80/571921280.db2.gz CBCOAWSPNRTJPJ-GHMZBOCLSA-N 1 1 181.279 1.509 10 30 ADEEMO CC[N@H+]1CCC[C@@H](/C=C/CC=O)C1 687680047 571922909 /nfs/dbraw/zinc/92/29/09/571922909.db2.gz YYAUWMXXQHNMLI-ZXCPCRMDSA-N 1 1 181.279 1.864 10 30 ADEEMO CC(C)[N@H+]1CC[C@H](/C=C/CC=O)C1 687680051 571923128 /nfs/dbraw/zinc/92/31/28/571923128.db2.gz FMPVDAXLFQHFBH-TZNOJPMFSA-N 1 1 181.279 1.862 10 30 ADEEMO C[N@H+]1CCC[C@@H](C/C=C/CC=O)C1 687680037 571923508 /nfs/dbraw/zinc/92/35/08/571923508.db2.gz MSTWSSCCCGMXHX-KXMPLOMGSA-N 1 1 181.279 1.864 10 30 ADEEMO C#CC[N@H+](C)[C@@H]1CCCC[C@@H]1OC 687729582 571923739 /nfs/dbraw/zinc/92/37/39/571923739.db2.gz CBCOAWSPNRTJPJ-MNOVXSKESA-N 1 1 181.279 1.509 10 30 ADEEMO CC[N@H+]1CC[C@H](C/C=C/CC=O)C1 687680042 571924007 /nfs/dbraw/zinc/92/40/07/571924007.db2.gz UEMGLAAJHYYKJH-UFFNRZRYSA-N 1 1 181.279 1.864 10 30 ADEEMO CC(C)[N@H+]1CC[C@@H](/C=C/CC=O)C1 687680050 571924889 /nfs/dbraw/zinc/92/48/89/571924889.db2.gz FMPVDAXLFQHFBH-JOAKQRRISA-N 1 1 181.279 1.862 10 30 ADEEMO CC[N@H+]1CC[C@@H](C/C=C/CC=O)C1 687680041 571924924 /nfs/dbraw/zinc/92/49/24/571924924.db2.gz UEMGLAAJHYYKJH-PGLGOXFNSA-N 1 1 181.279 1.864 10 30 ADEEMO C#C[C@H](C)[NH2+][C@@]1(CN)CCC[C@H]1CC 166599601 571925051 /nfs/dbraw/zinc/92/50/51/571925051.db2.gz MEDVQKXKKLAGMX-QJPTWQEYSA-N 1 1 194.322 1.505 10 30 ADEEMO C=C(C)CC[N@@H+](CC)CCN 300790105 571926029 /nfs/dbraw/zinc/92/60/29/571926029.db2.gz XTOPZIDWKDQWIP-UHFFFAOYSA-N 1 1 156.273 1.233 10 30 ADEEMO C=C(C)CCN(CC)CC[NH3+] 300790105 571926030 /nfs/dbraw/zinc/92/60/30/571926030.db2.gz XTOPZIDWKDQWIP-UHFFFAOYSA-N 1 1 156.273 1.233 10 30 ADEEMO CCNC1=CC(=[NH2+])O[C@]1(C)CC 39401059 571926076 /nfs/dbraw/zinc/92/60/76/571926076.db2.gz HOOJWRJJQHEXAS-MXFUOJGSSA-N 1 1 168.240 1.446 10 30 ADEEMO N#Cc1cc(/C=C\C[NH3+])cc(F)c1O 687681364 571926533 /nfs/dbraw/zinc/92/65/33/571926533.db2.gz IEYNWISGHQXWAY-UPHRSURJSA-N 1 1 192.193 1.375 10 30 ADEEMO C#C[C@@H](C)[NH2+][C@@H](CN)CC(C)(C)C 166558914 571926568 /nfs/dbraw/zinc/92/65/68/571926568.db2.gz BNAIWBOTKGVOMH-NXEZZACHSA-N 1 1 182.311 1.361 10 30 ADEEMO CC#CC[NH2+][C@](CC)(CN)C1CC1 167783912 571927720 /nfs/dbraw/zinc/92/77/20/571927720.db2.gz WLJMFFDIXIGIME-LLVKDONJSA-N 1 1 180.295 1.117 10 30 ADEEMO C[C@H](CNCC#CC(C)(C)C)[NH+](C)C 300791023 571928016 /nfs/dbraw/zinc/92/80/16/571928016.db2.gz TYNAUGRKVMGRDR-LLVKDONJSA-N 1 1 196.338 1.576 10 30 ADEEMO C[N@@H+](CCC1CCCC1)C/C(N)=N/O 300784539 571931030 /nfs/dbraw/zinc/93/10/30/571931030.db2.gz SBWPNCSQICKHJZ-UHFFFAOYSA-N 1 1 199.298 1.245 10 30 ADEEMO C[C@H](O)CC[N@@H+](C)CC#CC(C)(C)C 300798009 571932444 /nfs/dbraw/zinc/93/24/44/571932444.db2.gz UYTVNUFMVBVBFA-NSHDSACASA-N 1 1 197.322 1.739 10 30 ADEEMO C[C@H](C[NH+](C)C)NCC#CC(C)(C)C 300789638 571931628 /nfs/dbraw/zinc/93/16/28/571931628.db2.gz SWCWVUDCZFNQPG-LLVKDONJSA-N 1 1 196.338 1.576 10 30 ADEEMO C[C@@H](O)CC[N@@H+](C)CC#CC(C)(C)C 300798006 571932586 /nfs/dbraw/zinc/93/25/86/571932586.db2.gz UYTVNUFMVBVBFA-LLVKDONJSA-N 1 1 197.322 1.739 10 30 ADEEMO CC#CC[NH2+][C@@H](CN)CCCC 167776218 571936884 /nfs/dbraw/zinc/93/68/84/571936884.db2.gz RZESUDNGIZPCDN-SNVBAGLBSA-N 1 1 168.284 1.117 10 30 ADEEMO CC[C@@H](CC#N)[N@@H+](C)CC[C@@H](C)O 219761270 571933670 /nfs/dbraw/zinc/93/36/70/571933670.db2.gz XLSBECLQACHNGR-ZJUUUORDSA-N 1 1 184.283 1.381 10 30 ADEEMO C[C@@H](C[NH+](C)C)NCC#CC(C)(C)C 300789641 571933946 /nfs/dbraw/zinc/93/39/46/571933946.db2.gz SWCWVUDCZFNQPG-NSHDSACASA-N 1 1 196.338 1.576 10 30 ADEEMO C=CC[N@H+](CC)Cc1[nH]cnc1C 687808886 571934008 /nfs/dbraw/zinc/93/40/08/571934008.db2.gz RQEJRNPJDFUGJT-UHFFFAOYSA-N 1 1 179.267 1.726 10 30 ADEEMO C=CC[NH2+][C@]1(CN)CCC[C@@H](OC)C1 234754853 571935990 /nfs/dbraw/zinc/93/59/90/571935990.db2.gz VIJOYJIQHUJGMC-GHMZBOCLSA-N 1 1 198.310 1.049 10 30 ADEEMO COC(=O)C[C@@H](C)[N@H+](C)[C@@H](C)CC#N 220923447 571936542 /nfs/dbraw/zinc/93/65/42/571936542.db2.gz QCEXBKZPSGMNEP-DTWKUNHWSA-N 1 1 198.266 1.172 10 30 ADEEMO COC(=O)C[C@@H](C)[N@@H+](C)[C@@H](C)CC#N 220923447 571936545 /nfs/dbraw/zinc/93/65/45/571936545.db2.gz QCEXBKZPSGMNEP-DTWKUNHWSA-N 1 1 198.266 1.172 10 30 ADEEMO CC#CC[NH2+][C@](C)(C[NH3+])CCCCC 167780874 571936947 /nfs/dbraw/zinc/93/69/47/571936947.db2.gz AEZGXFNWTCDRJZ-LBPRGKRZSA-N 1 1 196.338 1.897 10 30 ADEEMO CC#CC[NH2+][C@](C)(CN)CCCCC 167780874 571936963 /nfs/dbraw/zinc/93/69/63/571936963.db2.gz AEZGXFNWTCDRJZ-LBPRGKRZSA-N 1 1 196.338 1.897 10 30 ADEEMO C[N@@H+](CC(C)(C)C=O)[C@@H]1CCCOC1 401372568 571936995 /nfs/dbraw/zinc/93/69/95/571936995.db2.gz KFMFOBNAIUBQEJ-SNVBAGLBSA-N 1 1 199.294 1.322 10 30 ADEEMO C=C[C@H](C)[NH2+]C[C@H]1CCN(C2CC2)C1 235500851 571937256 /nfs/dbraw/zinc/93/72/56/571937256.db2.gz PSXXUSZNJXDKDY-WDEREUQCSA-N 1 1 194.322 1.635 10 30 ADEEMO CC#CC[NH2+][C@@]1(C[NH3+])CC[C@H](CC)C1 167806275 571937625 /nfs/dbraw/zinc/93/76/25/571937625.db2.gz KZKKRXQNVFNTTQ-RYUDHWBXSA-N 1 1 194.322 1.507 10 30 ADEEMO CC#CC[NH2+][C@@]1(CN)CC[C@H](CC)C1 167806275 571937628 /nfs/dbraw/zinc/93/76/28/571937628.db2.gz KZKKRXQNVFNTTQ-RYUDHWBXSA-N 1 1 194.322 1.507 10 30 ADEEMO CC#CC[NH2+][C@@]1(C[NH3+])CC[C@@H](CC)C1 167806163 571937952 /nfs/dbraw/zinc/93/79/52/571937952.db2.gz KZKKRXQNVFNTTQ-NEPJUHHUSA-N 1 1 194.322 1.507 10 30 ADEEMO CC#CC[NH2+][C@@]1(CN)CC[C@@H](CC)C1 167806163 571937954 /nfs/dbraw/zinc/93/79/54/571937954.db2.gz KZKKRXQNVFNTTQ-NEPJUHHUSA-N 1 1 194.322 1.507 10 30 ADEEMO C=C(C)CN(C)c1[nH+]cccc1N 234292987 571938204 /nfs/dbraw/zinc/93/82/04/571938204.db2.gz VGOFGXZJHLIOJI-UHFFFAOYSA-N 1 1 177.251 1.676 10 30 ADEEMO CC#CC[NH2+][C@]1(C[NH3+])CC[C@H](CC)C1 167806061 571938541 /nfs/dbraw/zinc/93/85/41/571938541.db2.gz KZKKRXQNVFNTTQ-NWDGAFQWSA-N 1 1 194.322 1.507 10 30 ADEEMO CC#CC[NH2+][C@]1(CN)CC[C@H](CC)C1 167806061 571938544 /nfs/dbraw/zinc/93/85/44/571938544.db2.gz KZKKRXQNVFNTTQ-NWDGAFQWSA-N 1 1 194.322 1.507 10 30 ADEEMO CC#CC[NH2+][C@H](CN)CCCC 167776119 571938823 /nfs/dbraw/zinc/93/88/23/571938823.db2.gz RZESUDNGIZPCDN-JTQLQIEISA-N 1 1 168.284 1.117 10 30 ADEEMO C=CCN(C)c1[nH+]cc(N)cc1C 234278315 571938871 /nfs/dbraw/zinc/93/88/71/571938871.db2.gz ARDRCZWVPUTPBQ-UHFFFAOYSA-N 1 1 177.251 1.594 10 30 ADEEMO CC#CC[NH2+][C@]1(C[NH3+])CC[C@@H](CC)C1 167805961 571938955 /nfs/dbraw/zinc/93/89/55/571938955.db2.gz KZKKRXQNVFNTTQ-VXGBXAGGSA-N 1 1 194.322 1.507 10 30 ADEEMO CC#CC[NH2+][C@]1(CN)CC[C@@H](CC)C1 167805961 571938960 /nfs/dbraw/zinc/93/89/60/571938960.db2.gz KZKKRXQNVFNTTQ-VXGBXAGGSA-N 1 1 194.322 1.507 10 30 ADEEMO CC#CC[NH2+][C@@](C)(CN)CCCCC 167780994 571939850 /nfs/dbraw/zinc/93/98/50/571939850.db2.gz AEZGXFNWTCDRJZ-GFCCVEGCSA-N 1 1 196.338 1.897 10 30 ADEEMO CC#CC[NH2+][C@@](C)(C[NH3+])CCCCC 167780994 571939846 /nfs/dbraw/zinc/93/98/46/571939846.db2.gz AEZGXFNWTCDRJZ-GFCCVEGCSA-N 1 1 196.338 1.897 10 30 ADEEMO C=C[C@H](C)[NH2+]C[C@@H]1CCN(C)C1 235502939 571939891 /nfs/dbraw/zinc/93/98/91/571939891.db2.gz XTZYYKWALSYSFU-UWVGGRQHSA-N 1 1 168.284 1.102 10 30 ADEEMO C=C(C)CN(C)c1[nH+]cc(C)cc1N 234292588 571939961 /nfs/dbraw/zinc/93/99/61/571939961.db2.gz SUFLCAFAWOFERH-UHFFFAOYSA-N 1 1 191.278 1.985 10 30 ADEEMO C=C(C)CN(C)c1ccc(N)c[nH+]1 234292112 571940355 /nfs/dbraw/zinc/94/03/55/571940355.db2.gz ZQFPBBFRCDVURD-UHFFFAOYSA-N 1 1 177.251 1.676 10 30 ADEEMO C=CC[NH2+][C@@]1(CN)CCC[C@H](OC)C1 234768906 571940664 /nfs/dbraw/zinc/94/06/64/571940664.db2.gz VIJOYJIQHUJGMC-QWRGUYRKSA-N 1 1 198.310 1.049 10 30 ADEEMO C=C(C)CN(C)c1[nH+]cc(N)cc1C 234292786 571941162 /nfs/dbraw/zinc/94/11/62/571941162.db2.gz WHOGJNPYLJNRTF-UHFFFAOYSA-N 1 1 191.278 1.985 10 30 ADEEMO C=C[C@H](C)[NH2+]C[C@H]1CCCCN1 235510009 571941282 /nfs/dbraw/zinc/94/12/82/571941282.db2.gz SAWVAUIUBBIDSM-VHSXEESVSA-N 1 1 168.284 1.293 10 30 ADEEMO C=C[C@H](C)[NH2+]CC(C)(C)CN(C)C 235510087 571941503 /nfs/dbraw/zinc/94/15/03/571941503.db2.gz NVWBHPMRQCMOQX-JTQLQIEISA-N 1 1 184.327 1.738 10 30 ADEEMO CC(C)(C)C#CC[N@H+]1CCC[C@@H]1CO 300818519 571942518 /nfs/dbraw/zinc/94/25/18/571942518.db2.gz YSMQNZIUWFGNQU-LLVKDONJSA-N 1 1 195.306 1.493 10 30 ADEEMO CC[C@@H]1C[N@@H+](CCCC#N)CC[C@@H]1O 229840218 571942519 /nfs/dbraw/zinc/94/25/19/571942519.db2.gz QEOQDDCCHZHWMI-MNOVXSKESA-N 1 1 196.294 1.383 10 30 ADEEMO Cc1ccc(C2=[NH+]C[C@@H](C#N)N2)cc1 75576918 571942096 /nfs/dbraw/zinc/94/20/96/571942096.db2.gz DGCDRAUDFOLJMZ-SNVBAGLBSA-N 1 1 185.230 1.237 10 30 ADEEMO C#C[C@H]([NH2+]CCC)c1cc(C)n(C)n1 300806586 571942687 /nfs/dbraw/zinc/94/26/87/571942687.db2.gz BKSYSAFZRJTCND-JTQLQIEISA-N 1 1 191.278 1.402 10 30 ADEEMO C[C@H](C#N)N1CC[N@H+]2CCCC[C@H]2C1 251026869 571942713 /nfs/dbraw/zinc/94/27/13/571942713.db2.gz HVQFWGIUVZTGFR-MNOVXSKESA-N 1 1 193.294 1.069 10 30 ADEEMO Cc1ccc(C2=[NH+]C[C@H](C#N)N2)cc1 75576919 571942719 /nfs/dbraw/zinc/94/27/19/571942719.db2.gz DGCDRAUDFOLJMZ-JTQLQIEISA-N 1 1 185.230 1.237 10 30 ADEEMO C=C[C@@H](C(=O)OC)n1cc[nH+]c1C 300808336 571943398 /nfs/dbraw/zinc/94/33/98/571943398.db2.gz AGIJDZUCEXURGK-QMMMGPOBSA-N 1 1 180.207 1.092 10 30 ADEEMO C=C[C@H](C)[NH2+]C[C@@H]1CCN(C2CC2)C1 235516078 571943429 /nfs/dbraw/zinc/94/34/29/571943429.db2.gz PSXXUSZNJXDKDY-QWRGUYRKSA-N 1 1 194.322 1.635 10 30 ADEEMO C=C(Cl)C[NH2+][C@@H](C)c1ccnn1C 235516624 571943907 /nfs/dbraw/zinc/94/39/07/571943907.db2.gz CILAHBTZLHMVRN-QMMMGPOBSA-N 1 1 199.685 1.823 10 30 ADEEMO C#CCCC[N@@H+](C)Cc1cnns1 400034340 571944169 /nfs/dbraw/zinc/94/41/69/571944169.db2.gz VDKYALIGWPJTOZ-UHFFFAOYSA-N 1 1 195.291 1.383 10 30 ADEEMO C#CCCC[N@H+](C)Cc1cnns1 400034340 571944172 /nfs/dbraw/zinc/94/41/72/571944172.db2.gz VDKYALIGWPJTOZ-UHFFFAOYSA-N 1 1 195.291 1.383 10 30 ADEEMO C=CCCC[N@H+](CCN)CC(C)C 711314790 571945226 /nfs/dbraw/zinc/94/52/26/571945226.db2.gz MUUJUYLGJFVENP-UHFFFAOYSA-N 1 1 184.327 1.869 10 30 ADEEMO C#C[C@H](CC)N[C@H]1CC[NH2+]CC1(C)C 300816352 571945601 /nfs/dbraw/zinc/94/56/01/571945601.db2.gz IBBKFDHPSWRZIP-MNOVXSKESA-N 1 1 194.322 1.376 10 30 ADEEMO CC(C)(C)C#CC[N@H+]1CC[C@@H](CO)C1 300822015 571949148 /nfs/dbraw/zinc/94/91/48/571949148.db2.gz ZIDGFNDUBSNSNI-LLVKDONJSA-N 1 1 195.306 1.350 10 30 ADEEMO C[N@@H+]1CC[C@@H]2CCCC[C@@]21C#N 39081928 571951586 /nfs/dbraw/zinc/95/15/86/571951586.db2.gz XIMAYLKEGZXMCR-VHSXEESVSA-N 1 1 164.252 1.774 10 30 ADEEMO C[N@H+]1CC[C@@H]2CCCC[C@@]21C#N 39081928 571951595 /nfs/dbraw/zinc/95/15/95/571951595.db2.gz XIMAYLKEGZXMCR-VHSXEESVSA-N 1 1 164.252 1.774 10 30 ADEEMO C=C[C@H](C)[NH2+]C[C@@H]1CCCCN1 235523702 571953040 /nfs/dbraw/zinc/95/30/40/571953040.db2.gz SAWVAUIUBBIDSM-UWVGGRQHSA-N 1 1 168.284 1.293 10 30 ADEEMO CCCCC[N@H+]1CCC[C@@H]1/C(N)=N/O 79801244 571955325 /nfs/dbraw/zinc/95/53/25/571955325.db2.gz ZZVBDPQYJOCVIV-SECBINFHSA-N 1 1 199.298 1.387 10 30 ADEEMO C[N@@H+]1CC[C@H]2CCCC[C@@]21C#N 39081926 571954387 /nfs/dbraw/zinc/95/43/87/571954387.db2.gz XIMAYLKEGZXMCR-NXEZZACHSA-N 1 1 164.252 1.774 10 30 ADEEMO C[N@H+]1CC[C@H]2CCCC[C@@]21C#N 39081926 571954389 /nfs/dbraw/zinc/95/43/89/571954389.db2.gz XIMAYLKEGZXMCR-NXEZZACHSA-N 1 1 164.252 1.774 10 30 ADEEMO CCCCC[N@H+]1CCC[C@H]1/C(N)=N/O 79801245 571954768 /nfs/dbraw/zinc/95/47/68/571954768.db2.gz ZZVBDPQYJOCVIV-VIFPVBQESA-N 1 1 199.298 1.387 10 30 ADEEMO C[C@@H]1C[C@@H]([N@@H+](C)CC(C)(C)C=O)CO1 401526939 571955948 /nfs/dbraw/zinc/95/59/48/571955948.db2.gz UKOLWMIRRMHCFN-NXEZZACHSA-N 1 1 199.294 1.321 10 30 ADEEMO C=CC[NH2+][C@]1(CN)CCC[C@H](OC)C1 234786963 571956581 /nfs/dbraw/zinc/95/65/81/571956581.db2.gz VIJOYJIQHUJGMC-WDEREUQCSA-N 1 1 198.310 1.049 10 30 ADEEMO C[C@@H]1C[C@H]([N@@H+](C)CC(C)(C)C=O)CO1 401526942 571956599 /nfs/dbraw/zinc/95/65/99/571956599.db2.gz UKOLWMIRRMHCFN-ZJUUUORDSA-N 1 1 199.294 1.321 10 30 ADEEMO C[C@H]1C[C@@H]([N@@H+](C)CC(C)(C)C=O)CO1 401526941 571956719 /nfs/dbraw/zinc/95/67/19/571956719.db2.gz UKOLWMIRRMHCFN-VHSXEESVSA-N 1 1 199.294 1.321 10 30 ADEEMO C[C@H]1C[C@H]([N@@H+](C)CC(C)(C)C=O)CO1 401526940 571956764 /nfs/dbraw/zinc/95/67/64/571956764.db2.gz UKOLWMIRRMHCFN-UWVGGRQHSA-N 1 1 199.294 1.321 10 30 ADEEMO CC(C)CC[N@H+]1CCC[C@H]1/C(N)=N/O 79815983 571958257 /nfs/dbraw/zinc/95/82/57/571958257.db2.gz NAWWEZZDSBLBSL-VIFPVBQESA-N 1 1 199.298 1.243 10 30 ADEEMO CC(C)CC[N@H+]1CCC[C@@H]1/C(N)=N/O 79815982 571958939 /nfs/dbraw/zinc/95/89/39/571958939.db2.gz NAWWEZZDSBLBSL-SECBINFHSA-N 1 1 199.298 1.243 10 30 ADEEMO C#C[C@@H](CC)N[C@@H]1CC[NH2+]CC1(C)C 300816355 571959088 /nfs/dbraw/zinc/95/90/88/571959088.db2.gz IBBKFDHPSWRZIP-WDEREUQCSA-N 1 1 194.322 1.376 10 30 ADEEMO C[N@@H+](CCC[C@@H]1CO1)[C@@H]1CCCOC1 401591805 571961202 /nfs/dbraw/zinc/96/12/02/571961202.db2.gz XHXRZGYUMUHQRJ-GHMZBOCLSA-N 1 1 199.294 1.276 10 30 ADEEMO C=C(CS)C[N@@H+]1CC[C@H](OC)C1 234792860 571962181 /nfs/dbraw/zinc/96/21/81/571962181.db2.gz ZITRBGOWDANOEL-VIFPVBQESA-N 1 1 187.308 1.193 10 30 ADEEMO C=CC[NH2+][C@@]1(CN)CCCC[C@H]1OC 234797891 571962499 /nfs/dbraw/zinc/96/24/99/571962499.db2.gz AROCRXFVJUOFGP-GHMZBOCLSA-N 1 1 198.310 1.049 10 30 ADEEMO C=CC[NH2+][C@@]1(CN)CCC[C@@H](OC)C1 234799411 571962934 /nfs/dbraw/zinc/96/29/34/571962934.db2.gz VIJOYJIQHUJGMC-MNOVXSKESA-N 1 1 198.310 1.049 10 30 ADEEMO CO[C@H]1CC[N@@H+](CCCCS)C1 234799556 571963060 /nfs/dbraw/zinc/96/30/60/571963060.db2.gz BEMJVLCKPOTEHV-VIFPVBQESA-N 1 1 189.324 1.417 10 30 ADEEMO C=CC[NH2+][C@]1(CN)CCCC[C@@H]1OC 234793770 571963416 /nfs/dbraw/zinc/96/34/16/571963416.db2.gz AROCRXFVJUOFGP-QWRGUYRKSA-N 1 1 198.310 1.049 10 30 ADEEMO CO[C@H]1CC[N@@H+](C[C@@H](C)CS)C1 234806387 571966388 /nfs/dbraw/zinc/96/63/88/571966388.db2.gz FDCBTPLIRWSXDJ-BDAKNGLRSA-N 1 1 189.324 1.273 10 30 ADEEMO C=CCCNc1cc(OC)[nH+]c(N)n1 234803180 571967035 /nfs/dbraw/zinc/96/70/35/571967035.db2.gz DZSJHYXBQUGENN-UHFFFAOYSA-N 1 1 194.238 1.055 10 30 ADEEMO C[C@H](CC#N)[N@H+]1CC[C@@H](CF)C1 711431818 571968094 /nfs/dbraw/zinc/96/80/94/571968094.db2.gz UQCCFVOJYRGAHA-BDAKNGLRSA-N 1 1 170.231 1.580 10 30 ADEEMO CO[C@H]1CC[N@@H+](C/C=C/CS)C1 234809654 571968137 /nfs/dbraw/zinc/96/81/37/571968137.db2.gz ZMKXBXKAGREPMD-HPOULIHZSA-N 1 1 187.308 1.193 10 30 ADEEMO C[C@@H](CC#N)[N@H+]1CC[C@@H](CF)C1 711431835 571968181 /nfs/dbraw/zinc/96/81/81/571968181.db2.gz UQCCFVOJYRGAHA-IUCAKERBSA-N 1 1 170.231 1.580 10 30 ADEEMO C[C@@H](CC#N)[N@H+]1CC[C@H](CF)C1 711431833 571968254 /nfs/dbraw/zinc/96/82/54/571968254.db2.gz UQCCFVOJYRGAHA-DTWKUNHWSA-N 1 1 170.231 1.580 10 30 ADEEMO C[C@H](CC#N)[N@H+]1CC[C@H](CF)C1 711431863 571969090 /nfs/dbraw/zinc/96/90/90/571969090.db2.gz UQCCFVOJYRGAHA-RKDXNWHRSA-N 1 1 170.231 1.580 10 30 ADEEMO CC(C)CC[N@@H+](C[C@@H]1CO1)C1CC1 109274709 571968950 /nfs/dbraw/zinc/96/89/50/571968950.db2.gz CKXQMZYTDMOXOQ-LLVKDONJSA-N 1 1 183.295 1.896 10 30 ADEEMO CC(C)CC[N@@H+](C[C@H]1CO1)C1CC1 109274713 571968958 /nfs/dbraw/zinc/96/89/58/571968958.db2.gz CKXQMZYTDMOXOQ-NSHDSACASA-N 1 1 183.295 1.896 10 30 ADEEMO CC(C)[N@H+](CC#CC(C)(C)C)CCO 300825883 571970112 /nfs/dbraw/zinc/97/01/12/571970112.db2.gz ZTTBKFZAWAIEBR-UHFFFAOYSA-N 1 1 197.322 1.739 10 30 ADEEMO CC(C)CC[N@@H+](C/C(N)=N/O)C1CC1 109275529 571969704 /nfs/dbraw/zinc/96/97/04/571969704.db2.gz HQYDBZGIYJCKNR-UHFFFAOYSA-N 1 1 199.298 1.243 10 30 ADEEMO C#C[C@H](C)[NH2+][C@H](CN)[C@@H](C)CC(C)C 300828897 571970549 /nfs/dbraw/zinc/97/05/49/571970549.db2.gz BVNXTJZSBALFFM-SDDRHHMPSA-N 1 1 196.338 1.607 10 30 ADEEMO C=C(CS)C[N@@H+]1CC[C@@H](OC)C1 234821972 571971785 /nfs/dbraw/zinc/97/17/85/571971785.db2.gz ZITRBGOWDANOEL-SECBINFHSA-N 1 1 187.308 1.193 10 30 ADEEMO CO[C@@H]1CC[N@@H+](CCCCS)C1 234826870 571972032 /nfs/dbraw/zinc/97/20/32/571972032.db2.gz BEMJVLCKPOTEHV-SECBINFHSA-N 1 1 189.324 1.417 10 30 ADEEMO C#C[C@H](C)[NH2+][C@H](CN)[C@H](C)CC(C)C 300828893 571972081 /nfs/dbraw/zinc/97/20/81/571972081.db2.gz BVNXTJZSBALFFM-GRYCIOLGSA-N 1 1 196.338 1.607 10 30 ADEEMO C#C[C@H](C)[NH2+][C@@H](CN)[C@H](C)CC(C)C 300828904 571972255 /nfs/dbraw/zinc/97/22/55/571972255.db2.gz BVNXTJZSBALFFM-WOPDTQHZSA-N 1 1 196.338 1.607 10 30 ADEEMO CO[C@@H]1CC[N@@H+](C/C=C/CS)C1 234835663 571973735 /nfs/dbraw/zinc/97/37/35/571973735.db2.gz ZMKXBXKAGREPMD-GKQMSVHHSA-N 1 1 187.308 1.193 10 30 ADEEMO C#CCCC[C@@H]([NH2+]C)C(F)F 234477623 571974000 /nfs/dbraw/zinc/97/40/00/571974000.db2.gz ZNSPBHJXZKLWQF-SSDOTTSWSA-N 1 1 161.195 1.643 10 30 ADEEMO CC[C@H](CC#N)[N@H+]1CC[C@H](COC)C1 81063703 571974084 /nfs/dbraw/zinc/97/40/84/571974084.db2.gz AHVAKLLOXZOMOE-WDEREUQCSA-N 1 1 196.294 1.647 10 30 ADEEMO COC[C@H]1CC[N@H+]([C@@H](C)CC#N)C1 81063603 571974673 /nfs/dbraw/zinc/97/46/73/571974673.db2.gz CMTFBAOIPKVUES-UWVGGRQHSA-N 1 1 182.267 1.257 10 30 ADEEMO COC[C@H]1CC[N@@H+](C[C@H](C)C#N)C1 81063748 571974892 /nfs/dbraw/zinc/97/48/92/571974892.db2.gz AHRKVVZUKUMINK-ZJUUUORDSA-N 1 1 182.267 1.114 10 30 ADEEMO COC[C@H]1CC[N@@H+](C[C@@H](C)C#N)C1 81063754 571975012 /nfs/dbraw/zinc/97/50/12/571975012.db2.gz AHRKVVZUKUMINK-UWVGGRQHSA-N 1 1 182.267 1.114 10 30 ADEEMO COC[C@H]1CC[N@H+]([C@H](C)CC#N)C1 81063610 571975020 /nfs/dbraw/zinc/97/50/20/571975020.db2.gz CMTFBAOIPKVUES-ZJUUUORDSA-N 1 1 182.267 1.257 10 30 ADEEMO COC[C@H]1CC[N@@H+](CC(C)(C)C=O)C1 81115392 571975447 /nfs/dbraw/zinc/97/54/47/571975447.db2.gz MPPXLSONDQJEHP-JTQLQIEISA-N 1 1 199.294 1.180 10 30 ADEEMO CC[C@@H](CC#N)[N@H+]1CC[C@H](COC)C1 81063697 571976054 /nfs/dbraw/zinc/97/60/54/571976054.db2.gz AHVAKLLOXZOMOE-QWRGUYRKSA-N 1 1 196.294 1.647 10 30 ADEEMO C=C(C[NH3+])CN1CCCO[C@@H](CC)C1 300836939 571978448 /nfs/dbraw/zinc/97/84/48/571978448.db2.gz GACHVAWYZWSUCH-NSHDSACASA-N 1 1 198.310 1.002 10 30 ADEEMO C=C(C[NH3+])CN1CCCO[C@H](CC)C1 300836938 571978634 /nfs/dbraw/zinc/97/86/34/571978634.db2.gz GACHVAWYZWSUCH-LLVKDONJSA-N 1 1 198.310 1.002 10 30 ADEEMO C#C[C@H]([NH2+]C[C@H](C)C#N)C(C)C 300835567 571978995 /nfs/dbraw/zinc/97/89/95/571978995.db2.gz CNZVIKQOFJQCBE-ZJUUUORDSA-N 1 1 164.252 1.393 10 30 ADEEMO C#C[C@@H]([NH2+]C[C@H](C)C#N)C(C)C 300835564 571979018 /nfs/dbraw/zinc/97/90/18/571979018.db2.gz CNZVIKQOFJQCBE-NXEZZACHSA-N 1 1 164.252 1.393 10 30 ADEEMO C#C[C@H]([NH2+]C[C@@H](C)C#N)C(C)C 300835565 571979559 /nfs/dbraw/zinc/97/95/59/571979559.db2.gz CNZVIKQOFJQCBE-UWVGGRQHSA-N 1 1 164.252 1.393 10 30 ADEEMO C[N@@H+](CCCO)CCCCS 300832910 571979811 /nfs/dbraw/zinc/97/98/11/571979811.db2.gz OZYCEFOLJFQMOO-UHFFFAOYSA-N 1 1 177.313 1.011 10 30 ADEEMO C#C[C@H]([NH2+]CCCN(C)C)C(C)C 300840129 571982026 /nfs/dbraw/zinc/98/20/26/571982026.db2.gz DCBNZKWEDWJZMK-NSHDSACASA-N 1 1 182.311 1.186 10 30 ADEEMO C#C[C@H](NCCC[NH+](C)C)C(C)C 300840129 571982028 /nfs/dbraw/zinc/98/20/28/571982028.db2.gz DCBNZKWEDWJZMK-NSHDSACASA-N 1 1 182.311 1.186 10 30 ADEEMO C[N@@H+](CC#CC[NH3+])C1CCCCC1 196433569 571982314 /nfs/dbraw/zinc/98/23/14/571982314.db2.gz JYEWDIUMBLIMHC-UHFFFAOYSA-N 1 1 180.295 1.213 10 30 ADEEMO C[C@](N)(C#N)CC[N@@H+]1CCC[C@H](F)C1 689397087 571982360 /nfs/dbraw/zinc/98/23/60/571982360.db2.gz BIKFGFAZOTZGEE-VHSXEESVSA-N 1 1 199.273 1.051 10 30 ADEEMO C[C@](N)(C#N)CC[N@H+]1CCC[C@H](F)C1 689397087 571982365 /nfs/dbraw/zinc/98/23/65/571982365.db2.gz BIKFGFAZOTZGEE-VHSXEESVSA-N 1 1 199.273 1.051 10 30 ADEEMO C#CCCC[N@@H+]1CC[C@H](C)C[C@@H]1CN 235550277 571983822 /nfs/dbraw/zinc/98/38/22/571983822.db2.gz NHIIDOQULHASOQ-NWDGAFQWSA-N 1 1 194.322 1.459 10 30 ADEEMO C#CCCCN1CC[C@H](C)C[C@@H]1C[NH3+] 235550277 571983825 /nfs/dbraw/zinc/98/38/25/571983825.db2.gz NHIIDOQULHASOQ-NWDGAFQWSA-N 1 1 194.322 1.459 10 30 ADEEMO C#CC[N@H+]1C[C@H]2CC[C@@H]1C2 18619207 571984831 /nfs/dbraw/zinc/98/48/31/571984831.db2.gz GEHXQGNZLCSMLW-DTWKUNHWSA-N 1 1 135.210 1.104 10 30 ADEEMO Cc1[nH+]ccn1-c1ncc(C#N)cc1N 235808057 571984972 /nfs/dbraw/zinc/98/49/72/571984972.db2.gz DNZJTVZSJCHVID-UHFFFAOYSA-N 1 1 199.217 1.030 10 30 ADEEMO C[C@@H](C#N)C[NH+]1CCC(C)(CO)CC1 401764913 571985172 /nfs/dbraw/zinc/98/51/72/571985172.db2.gz FOVNAEONMLVQTD-JTQLQIEISA-N 1 1 196.294 1.240 10 30 ADEEMO C=CC[NH2+][C@@H](C[NH3+])[C@@H](C)CC(C)C 300848772 571985321 /nfs/dbraw/zinc/98/53/21/571985321.db2.gz FAJNUHOUEDDHAW-QWRGUYRKSA-N 1 1 184.327 1.772 10 30 ADEEMO C=CC[NH2+][C@@H](C[NH3+])[C@H](C)CC(C)C 300848769 571985455 /nfs/dbraw/zinc/98/54/55/571985455.db2.gz FAJNUHOUEDDHAW-MNOVXSKESA-N 1 1 184.327 1.772 10 30 ADEEMO C=CC[NH2+][C@H](C[NH3+])[C@@H](C)CC(C)C 300848774 571985501 /nfs/dbraw/zinc/98/55/01/571985501.db2.gz FAJNUHOUEDDHAW-WDEREUQCSA-N 1 1 184.327 1.772 10 30 ADEEMO C=CC[N@@H+]1CCC[C@@H](C)C1 41362668 571986689 /nfs/dbraw/zinc/98/66/89/571986689.db2.gz OOUWNPQGIBBWPI-SECBINFHSA-N 1 1 139.242 1.904 10 30 ADEEMO CN(C)[C@]1(C#N)C[C@@H]2CC[C@H](C1)[N@H+]2C 687768340 571986725 /nfs/dbraw/zinc/98/67/25/571986725.db2.gz TVAJAYFPUPXPFQ-URLYPYJESA-N 1 1 193.294 1.067 10 30 ADEEMO C(=N/C1CC1)\C1CC[NH2+]CC1 687769238 571986807 /nfs/dbraw/zinc/98/68/07/571986807.db2.gz RBBWAIPZZHNCGR-YRNVUSSQSA-N 1 1 152.241 1.219 10 30 ADEEMO CN(C)[C@@]1(C#N)C[C@@H]2CC[C@H](C1)[N@H+]2C 687768339 571987241 /nfs/dbraw/zinc/98/72/41/571987241.db2.gz TVAJAYFPUPXPFQ-JGPRNRPPSA-N 1 1 193.294 1.067 10 30 ADEEMO C(=N\C1CC1)\C1CC[NH2+]CC1 687769237 571987277 /nfs/dbraw/zinc/98/72/77/571987277.db2.gz RBBWAIPZZHNCGR-XFFZJAGNSA-N 1 1 152.241 1.219 10 30 ADEEMO Cc1cn([C@H](C)C#N)c(C)[nH+]1 114059931 571987348 /nfs/dbraw/zinc/98/73/48/571987348.db2.gz HJGAZBSEMBUXFJ-SSDOTTSWSA-N 1 1 149.197 1.585 10 30 ADEEMO C=C(C)CC(=O)[C@@H]1CSCC[N@H+]1C 234343832 571987740 /nfs/dbraw/zinc/98/77/40/571987740.db2.gz MYMKCBJRDFJFTC-VIFPVBQESA-N 1 1 199.319 1.569 10 30 ADEEMO C=C(C)CC(=O)[C@@H]1CSCC[N@@H+]1C 234343832 571987743 /nfs/dbraw/zinc/98/77/43/571987743.db2.gz MYMKCBJRDFJFTC-VIFPVBQESA-N 1 1 199.319 1.569 10 30 ADEEMO C[N@H+]1CCC[C@H]1/C=C1\CCCC1=O 13554126 571987868 /nfs/dbraw/zinc/98/78/68/571987868.db2.gz KFUDZZZSOUAONO-DDXVTDLHSA-N 1 1 179.263 1.760 10 30 ADEEMO OCC[NH+]=C1CCCCC1 196179882 571991343 /nfs/dbraw/zinc/99/13/43/571991343.db2.gz OKPMIZBLVWRAJW-UHFFFAOYSA-N 1 1 141.214 1.384 10 30 ADEEMO C#CC[NH2+][C@H](CN)[C@H](C)CC(C)C 300858106 571991395 /nfs/dbraw/zinc/99/13/95/571991395.db2.gz GDBOVOMYOGVZAE-GHMZBOCLSA-N 1 1 182.311 1.219 10 30 ADEEMO C#CC[NH2+][C@H](CN)[C@@H](C)CC(C)C 300858109 571991456 /nfs/dbraw/zinc/99/14/56/571991456.db2.gz GDBOVOMYOGVZAE-WDEREUQCSA-N 1 1 182.311 1.219 10 30 ADEEMO C=CC[NH2+][C@]1(CN)CCCC[C@H]1OC 300213701 571991700 /nfs/dbraw/zinc/99/17/00/571991700.db2.gz AROCRXFVJUOFGP-MNOVXSKESA-N 1 1 198.310 1.049 10 30 ADEEMO C#CC[NH2+][C@@H](CN)[C@H](C)CC(C)C 300858107 571991928 /nfs/dbraw/zinc/99/19/28/571991928.db2.gz GDBOVOMYOGVZAE-MNOVXSKESA-N 1 1 182.311 1.219 10 30 ADEEMO C#CC[NH2+][C@@H](CN)[C@@H](C)CC(C)C 300858108 571992142 /nfs/dbraw/zinc/99/21/42/571992142.db2.gz GDBOVOMYOGVZAE-QWRGUYRKSA-N 1 1 182.311 1.219 10 30 ADEEMO CCC(C)(C)C[N@@H+](C)[C@@H](C)C=O 713178980 571992636 /nfs/dbraw/zinc/99/26/36/571992636.db2.gz DMDCFZGMSCHMGV-VIFPVBQESA-N 1 1 171.284 1.942 10 30 ADEEMO CC(C)[C@H](O)C[N@@H+](CCC#N)C(C)C 300862958 571993244 /nfs/dbraw/zinc/99/32/44/571993244.db2.gz JKPYVKOTZCBSJZ-LLVKDONJSA-N 1 1 198.310 1.627 10 30 ADEEMO C[C@@H]1CCC/C1=[NH+]\CCO 206996042 571993991 /nfs/dbraw/zinc/99/39/91/571993991.db2.gz OAJANYGVFUXAFW-BDGYDECCSA-N 1 1 141.214 1.240 10 30 ADEEMO C[C@H]1CCC/C1=[NH+]\CCO 206996083 571994078 /nfs/dbraw/zinc/99/40/78/571994078.db2.gz OAJANYGVFUXAFW-MXMZYCHESA-N 1 1 141.214 1.240 10 30 ADEEMO CC(C)[C@@H](O)C[N@@H+](CCC#N)C(C)C 300862959 571994422 /nfs/dbraw/zinc/99/44/22/571994422.db2.gz JKPYVKOTZCBSJZ-NSHDSACASA-N 1 1 198.310 1.627 10 30 ADEEMO CC[C@H]1CCC/C1=[NH+]\CCO 206996184 571994552 /nfs/dbraw/zinc/99/45/52/571994552.db2.gz QOXRLCDGIGAIAT-VPOJCXOPSA-N 1 1 155.241 1.630 10 30 ADEEMO C=CC[C@@H]([NH3+])C(=O)OCC(CC)CC 300868278 571994820 /nfs/dbraw/zinc/99/48/20/571994820.db2.gz PDRBAGUFFOUSMS-SNVBAGLBSA-N 1 1 199.294 1.869 10 30 ADEEMO CC[N@H+]1C[C@@H](CC#N)N(C)CC1(C)C 219509365 571994964 /nfs/dbraw/zinc/99/49/64/571994964.db2.gz OOWJPOYYBZSDNM-SNVBAGLBSA-N 1 1 195.310 1.315 10 30 ADEEMO CN1[C@H](CC#N)C[N@@H+](C)CCC1(C)C 219517581 571994982 /nfs/dbraw/zinc/99/49/82/571994982.db2.gz JOIRTSQFMLIXCI-SNVBAGLBSA-N 1 1 195.310 1.315 10 30 ADEEMO C=CC[C@H]([NH3+])C(=O)OCC(CC)CC 300868272 571995975 /nfs/dbraw/zinc/99/59/75/571995975.db2.gz PDRBAGUFFOUSMS-JTQLQIEISA-N 1 1 199.294 1.869 10 30 ADEEMO CC[N@H+]1C[C@H](CC#N)NCCC1(C)C 219516935 571996005 /nfs/dbraw/zinc/99/60/05/571996005.db2.gz AAAAVHWOHYRDDE-JTQLQIEISA-N 1 1 195.310 1.362 10 30 ADEEMO CC[C@@H](C)N1CC[N@H+](C)C[C@@H]1CC#N 219512476 571996172 /nfs/dbraw/zinc/99/61/72/571996172.db2.gz USDWKQFLXKRAJR-MNOVXSKESA-N 1 1 195.310 1.315 10 30 ADEEMO CC[C@@H](C)N1CC[N@@H+](C)C[C@@H]1CC#N 219512476 571996175 /nfs/dbraw/zinc/99/61/75/571996175.db2.gz USDWKQFLXKRAJR-MNOVXSKESA-N 1 1 195.310 1.315 10 30 ADEEMO C[C@H]1CC(=O)C=C2CC[N@@H+](C)C[C@@H]21 206724817 571996973 /nfs/dbraw/zinc/99/69/73/571996973.db2.gz QEIUTPLQMUIEDS-GZMMTYOYSA-N 1 1 179.263 1.473 10 30 ADEEMO C[N@@H+](CCCO)CC1(C=O)CCCC1 300878040 571999971 /nfs/dbraw/zinc/99/99/71/571999971.db2.gz YQIVPZSSYMRJGB-UHFFFAOYSA-N 1 1 199.294 1.060 10 30 ADEEMO C#CCC[N@H+]1CCC(=NO)[C@H](CC)C1 687697477 572000736 /nfs/dbraw/zinc/00/07/36/572000736.db2.gz DJKQRGWQVXRCNW-SNVBAGLBSA-N 1 1 194.278 1.572 10 30 ADEEMO CC[N@H+](C[C@@](N)(C#N)C1CC1)C(C)C 68899318 572001386 /nfs/dbraw/zinc/00/13/86/572001386.db2.gz QYSSRLYWJWILHY-NSHDSACASA-N 1 1 195.310 1.348 10 30 ADEEMO CC[N@@H+](C[C@@](N)(C#N)C1CC1)C(C)C 68899318 572001388 /nfs/dbraw/zinc/00/13/88/572001388.db2.gz QYSSRLYWJWILHY-NSHDSACASA-N 1 1 195.310 1.348 10 30 ADEEMO CC(C)C[N@H+](C)C[C@@](N)(C#N)C1CC1 68898895 572001737 /nfs/dbraw/zinc/00/17/37/572001737.db2.gz LHSJCKDBPYPYJX-NSHDSACASA-N 1 1 195.310 1.205 10 30 ADEEMO CC(C)C[N@@H+](C)C[C@@](N)(C#N)C1CC1 68898895 572001739 /nfs/dbraw/zinc/00/17/39/572001739.db2.gz LHSJCKDBPYPYJX-NSHDSACASA-N 1 1 195.310 1.205 10 30 ADEEMO CCC[N@H+](CC)C[C@](N)(C#N)C1CC1 68899481 572002049 /nfs/dbraw/zinc/00/20/49/572002049.db2.gz XMNZWXVFFXADHM-LLVKDONJSA-N 1 1 195.310 1.349 10 30 ADEEMO CCC[N@@H+](CC)C[C@](N)(C#N)C1CC1 68899481 572002050 /nfs/dbraw/zinc/00/20/50/572002050.db2.gz XMNZWXVFFXADHM-LLVKDONJSA-N 1 1 195.310 1.349 10 30 ADEEMO CC(C)C[N@H+](C)C[C@](N)(C#N)C1CC1 68898905 572002018 /nfs/dbraw/zinc/00/20/18/572002018.db2.gz LHSJCKDBPYPYJX-LLVKDONJSA-N 1 1 195.310 1.205 10 30 ADEEMO CC(C)C[N@@H+](C)C[C@](N)(C#N)C1CC1 68898905 572002022 /nfs/dbraw/zinc/00/20/22/572002022.db2.gz LHSJCKDBPYPYJX-LLVKDONJSA-N 1 1 195.310 1.205 10 30 ADEEMO CC[C@H](C)[N@H+](C)C[C@@](N)(C#N)C1CC1 68898970 572002850 /nfs/dbraw/zinc/00/28/50/572002850.db2.gz DSTZRPFXAHOPRE-ONGXEEELSA-N 1 1 195.310 1.348 10 30 ADEEMO CC[C@H](C)[N@@H+](C)C[C@@](N)(C#N)C1CC1 68898970 572002852 /nfs/dbraw/zinc/00/28/52/572002852.db2.gz DSTZRPFXAHOPRE-ONGXEEELSA-N 1 1 195.310 1.348 10 30 ADEEMO CCCC[N@H+](C)C[C@@](N)(C#N)C1CC1 68897435 572003298 /nfs/dbraw/zinc/00/32/98/572003298.db2.gz SSXIEWKTXHVNTR-NSHDSACASA-N 1 1 195.310 1.349 10 30 ADEEMO CCCC[N@@H+](C)C[C@@](N)(C#N)C1CC1 68897435 572003301 /nfs/dbraw/zinc/00/33/01/572003301.db2.gz SSXIEWKTXHVNTR-NSHDSACASA-N 1 1 195.310 1.349 10 30 ADEEMO CCCC[N@H+](C)C[C@](N)(C#N)C1CC1 68897439 572003500 /nfs/dbraw/zinc/00/35/00/572003500.db2.gz SSXIEWKTXHVNTR-LLVKDONJSA-N 1 1 195.310 1.349 10 30 ADEEMO CCCC[N@@H+](C)C[C@](N)(C#N)C1CC1 68897439 572003502 /nfs/dbraw/zinc/00/35/02/572003502.db2.gz SSXIEWKTXHVNTR-LLVKDONJSA-N 1 1 195.310 1.349 10 30 ADEEMO CCCNC(=[NH+]N)c1ccsc1 42036036 572004433 /nfs/dbraw/zinc/00/44/33/572004433.db2.gz SBFPKYISKUZEPI-UHFFFAOYSA-N 1 1 183.280 1.368 10 30 ADEEMO C[N@H+]1CC[C@@]2(CC[C@H](CC#N)O2)C1 686227823 572006323 /nfs/dbraw/zinc/00/63/23/572006323.db2.gz PGHRZYGQYZHKSY-ZJUUUORDSA-N 1 1 180.251 1.153 10 30 ADEEMO C[N@H+]1CC[C@]2(CC[C@H](CC#N)O2)C1 686227812 572006481 /nfs/dbraw/zinc/00/64/81/572006481.db2.gz PGHRZYGQYZHKSY-NXEZZACHSA-N 1 1 180.251 1.153 10 30 ADEEMO C[C@H]1CNC[C@H](C)[NH+]1CCCCC#N 68914137 572007207 /nfs/dbraw/zinc/00/72/07/572007207.db2.gz BOGITMQYRRIYAI-QWRGUYRKSA-N 1 1 195.310 1.362 10 30 ADEEMO CC[N@@H+](CC1CC1)C[C@H]1CO1 68946934 572008096 /nfs/dbraw/zinc/00/80/96/572008096.db2.gz PYSBTYKKVYJHBA-VIFPVBQESA-N 1 1 155.241 1.117 10 30 ADEEMO C[N@H+]1CC[C@@]2(CC[C@@H](CC#N)O2)C1 686227818 572008295 /nfs/dbraw/zinc/00/82/95/572008295.db2.gz PGHRZYGQYZHKSY-UWVGGRQHSA-N 1 1 180.251 1.153 10 30 ADEEMO CC[N@@H+](CC1CC1)C[C@@H]1CO1 68946932 572008780 /nfs/dbraw/zinc/00/87/80/572008780.db2.gz PYSBTYKKVYJHBA-SECBINFHSA-N 1 1 155.241 1.117 10 30 ADEEMO CC[N@@H+](CCC#N)C1CCOCC1 68955312 572009515 /nfs/dbraw/zinc/00/95/15/572009515.db2.gz XZYARGBXAURGBQ-UHFFFAOYSA-N 1 1 182.267 1.401 10 30 ADEEMO N#CCC[N@H+](C1CCOCC1)C1CC1 68955318 572009616 /nfs/dbraw/zinc/00/96/16/572009616.db2.gz HQDHUJIDBHCLTN-UHFFFAOYSA-N 1 1 194.278 1.543 10 30 ADEEMO CC[N@@H+](C[C@@H](C)C#N)C1CCOCC1 68955306 572010176 /nfs/dbraw/zinc/01/01/76/572010176.db2.gz HQOWKKGFXMTQMB-JTQLQIEISA-N 1 1 196.294 1.647 10 30 ADEEMO CO[C@H]1CC[N@H+]([C@@H]2CCC[C@@H]2C#N)C1 234950209 572010380 /nfs/dbraw/zinc/01/03/80/572010380.db2.gz BOGAJGQRFSUAIU-OUAUKWLOSA-N 1 1 194.278 1.399 10 30 ADEEMO C/C=C/C[N@H+](C)C[C@H](C)C#N 42324447 572010567 /nfs/dbraw/zinc/01/05/67/572010567.db2.gz HZYNDDHSDJFGHM-XNPJLODASA-N 1 1 152.241 1.654 10 30 ADEEMO C/C=C/C[N@@H+](C)C[C@H](C)C#N 42324447 572010570 /nfs/dbraw/zinc/01/05/70/572010570.db2.gz HZYNDDHSDJFGHM-XNPJLODASA-N 1 1 152.241 1.654 10 30 ADEEMO CC[N@@H+](C[C@H](C)C#N)C1CCOCC1 68955309 572011343 /nfs/dbraw/zinc/01/13/43/572011343.db2.gz HQOWKKGFXMTQMB-SNVBAGLBSA-N 1 1 196.294 1.647 10 30 ADEEMO C#CC[NH2+]C[C@@H](C(CC)CC)N(C)C 68989738 572011713 /nfs/dbraw/zinc/01/17/13/572011713.db2.gz ZGOHYYABEKNBEF-LBPRGKRZSA-N 1 1 196.338 1.576 10 30 ADEEMO CC[N@@H+](CC1CC1)CC(C)(C)C=O 68948293 572011795 /nfs/dbraw/zinc/01/17/95/572011795.db2.gz GVKYIISKDHYZIO-UHFFFAOYSA-N 1 1 183.295 1.943 10 30 ADEEMO CC[N@@H+](CC[C@@H](C#N)NC)CC1CC1 68948021 572012037 /nfs/dbraw/zinc/01/20/37/572012037.db2.gz AJUWLGYIAVXJGP-NSHDSACASA-N 1 1 195.310 1.220 10 30 ADEEMO C#CC[NH2+]C[C@@H](C(C)C)N1CCCC1 68989726 572012375 /nfs/dbraw/zinc/01/23/75/572012375.db2.gz ZMPGJEAOZCTGMR-LBPRGKRZSA-N 1 1 194.322 1.330 10 30 ADEEMO CC[N@@H+](CC[C@H](C#N)NC)CC1CC1 68948023 572012937 /nfs/dbraw/zinc/01/29/37/572012937.db2.gz AJUWLGYIAVXJGP-LLVKDONJSA-N 1 1 195.310 1.220 10 30 ADEEMO CC[N@@H+](CC1CC1)[C@H](C)C/C(N)=N/O 68947243 572012972 /nfs/dbraw/zinc/01/29/72/572012972.db2.gz NHSVGZUALOQDSW-MRVPVSSYSA-N 1 1 199.298 1.243 10 30 ADEEMO CC[N@@H+](CC1CC1)[C@@H](C)C/C(N)=N/O 68947241 572013051 /nfs/dbraw/zinc/01/30/51/572013051.db2.gz NHSVGZUALOQDSW-QMMMGPOBSA-N 1 1 199.298 1.243 10 30 ADEEMO C[C@H]([NH2+]C[C@@H](C)C#N)c1ccncc1 35122391 572013124 /nfs/dbraw/zinc/01/31/24/572013124.db2.gz SURBWCDDXCLEDU-UWVGGRQHSA-N 1 1 189.262 1.892 10 30 ADEEMO CC[C@@H](/C(N)=N/O)[N@@H+](CC)CC1CC1 68947247 572013498 /nfs/dbraw/zinc/01/34/98/572013498.db2.gz VLTCLXZMRLZMOZ-VIFPVBQESA-N 1 1 199.298 1.243 10 30 ADEEMO C#CCNC[C@@H](CC(C)C)[NH+](C)C 68989731 572013562 /nfs/dbraw/zinc/01/35/62/572013562.db2.gz YRPJTFYWIUETOG-LLVKDONJSA-N 1 1 182.311 1.186 10 30 ADEEMO CC[N@H+](CC1CC1)C[C@](C)(C#N)NC 68948026 572014088 /nfs/dbraw/zinc/01/40/88/572014088.db2.gz IVSWPKYYNGYWHW-NSHDSACASA-N 1 1 195.310 1.220 10 30 ADEEMO CC[N@@H+](CC1CC1)C[C@](C)(C#N)NC 68948026 572014092 /nfs/dbraw/zinc/01/40/92/572014092.db2.gz IVSWPKYYNGYWHW-NSHDSACASA-N 1 1 195.310 1.220 10 30 ADEEMO CC[N@@H+](CC[C@](C)(N)C#N)CC1CC1 68947997 572014099 /nfs/dbraw/zinc/01/40/99/572014099.db2.gz AEBPHAHMSZMHLE-NSHDSACASA-N 1 1 195.310 1.349 10 30 ADEEMO C#CC[NH2+]C[C@H](C(CC)CC)N(C)C 68989735 572014132 /nfs/dbraw/zinc/01/41/32/572014132.db2.gz ZGOHYYABEKNBEF-GFCCVEGCSA-N 1 1 196.338 1.576 10 30 ADEEMO C#CCNC[C@H](CC(C)C)[NH+](C)C 68989730 572014138 /nfs/dbraw/zinc/01/41/38/572014138.db2.gz YRPJTFYWIUETOG-NSHDSACASA-N 1 1 182.311 1.186 10 30 ADEEMO C#CC[NH2+]C[C@H](C(C)C)N1CCCC1 68989723 572014283 /nfs/dbraw/zinc/01/42/83/572014283.db2.gz ZMPGJEAOZCTGMR-GFCCVEGCSA-N 1 1 194.322 1.330 10 30 ADEEMO CC[N@@H+](CCC/C(N)=N/O)CC1CC1 68947245 572014405 /nfs/dbraw/zinc/01/44/05/572014405.db2.gz LRWJJLDRPNQCFM-UHFFFAOYSA-N 1 1 199.298 1.245 10 30 ADEEMO CC[C@H](/C(N)=N/O)[N@@H+](CC)CC1CC1 68947249 572014461 /nfs/dbraw/zinc/01/44/61/572014461.db2.gz VLTCLXZMRLZMOZ-SECBINFHSA-N 1 1 199.298 1.243 10 30 ADEEMO C[C@@H]1C[N@H+](C)C[C@H]2C1=CC(=O)[C@@H]2C 14721307 572014558 /nfs/dbraw/zinc/01/45/58/572014558.db2.gz QGCAKXUASFKRJA-NQMVMOMDSA-N 1 1 179.263 1.329 10 30 ADEEMO C[C@H](CC#N)[N@H+]1CCCC[C@@H]1CO 42432242 572015094 /nfs/dbraw/zinc/01/50/94/572015094.db2.gz BGTCLCRAPWFPPP-NXEZZACHSA-N 1 1 182.267 1.135 10 30 ADEEMO C#CCNC[C@H](C)[N@@H+](CC)CC1CC1 68948729 572015184 /nfs/dbraw/zinc/01/51/84/572015184.db2.gz IIKMCIVLRXAVAT-NSHDSACASA-N 1 1 194.322 1.330 10 30 ADEEMO C#CC[NH2+]C[C@H](C)N(CC)CC1CC1 68948729 572015189 /nfs/dbraw/zinc/01/51/89/572015189.db2.gz IIKMCIVLRXAVAT-NSHDSACASA-N 1 1 194.322 1.330 10 30 ADEEMO C#CCNC[C@@H](C)[N@@H+](CC)CC1CC1 68948731 572015500 /nfs/dbraw/zinc/01/55/00/572015500.db2.gz IIKMCIVLRXAVAT-LLVKDONJSA-N 1 1 194.322 1.330 10 30 ADEEMO C#CC[NH2+]C[C@@H](C)N(CC)CC1CC1 68948731 572015503 /nfs/dbraw/zinc/01/55/03/572015503.db2.gz IIKMCIVLRXAVAT-LLVKDONJSA-N 1 1 194.322 1.330 10 30 ADEEMO N#C[C@@H]1CCC[C@H]1[N@@H+]1CCC[C@@H]1CO 42432830 572015675 /nfs/dbraw/zinc/01/56/75/572015675.db2.gz NURXUHDQCCWODW-HBNTYKKESA-N 1 1 194.278 1.135 10 30 ADEEMO C=CCNC[C@@H](C)[N@H+](CC)CC1CC1 68948813 572015713 /nfs/dbraw/zinc/01/57/13/572015713.db2.gz LJNATPGDSSGDTR-LLVKDONJSA-N 1 1 196.338 1.882 10 30 ADEEMO C=CCNC[C@@H](C)[N@@H+](CC)CC1CC1 68948813 572015716 /nfs/dbraw/zinc/01/57/16/572015716.db2.gz LJNATPGDSSGDTR-LLVKDONJSA-N 1 1 196.338 1.882 10 30 ADEEMO C[C@H](C#N)C[N@@H+](C)[C@@H](C)C1CC1 35207521 572015791 /nfs/dbraw/zinc/01/57/91/572015791.db2.gz FOPLFXLYMPWUNB-BDAKNGLRSA-N 1 1 166.268 1.876 10 30 ADEEMO C=CCNCC[N@@H+](CC)CC1CC1 68948733 572016006 /nfs/dbraw/zinc/01/60/06/572016006.db2.gz FIHDSSFVVFSAFB-UHFFFAOYSA-N 1 1 182.311 1.494 10 30 ADEEMO C=CCNCC[N@H+](CC)CC1CC1 68948733 572016009 /nfs/dbraw/zinc/01/60/09/572016009.db2.gz FIHDSSFVVFSAFB-UHFFFAOYSA-N 1 1 182.311 1.494 10 30 ADEEMO CCC(C)(C)[N@@H+](C)CC/C(N)=N/O 68998457 572017393 /nfs/dbraw/zinc/01/73/93/572017393.db2.gz DFPCRGXJUZPHFA-UHFFFAOYSA-N 1 1 187.287 1.243 10 30 ADEEMO C[C@@H](CC#N)[N@@H+]1CCCSCC1 42443944 572017577 /nfs/dbraw/zinc/01/75/77/572017577.db2.gz ALNDDEBMVZKOOF-VIFPVBQESA-N 1 1 184.308 1.727 10 30 ADEEMO C[C@@H](CC#N)[N@H+]1CCCSCC1 42443944 572017579 /nfs/dbraw/zinc/01/75/79/572017579.db2.gz ALNDDEBMVZKOOF-VIFPVBQESA-N 1 1 184.308 1.727 10 30 ADEEMO C[C@H](CC#N)[N@@H+]1CCCSCC1 42443946 572017648 /nfs/dbraw/zinc/01/76/48/572017648.db2.gz ALNDDEBMVZKOOF-SECBINFHSA-N 1 1 184.308 1.727 10 30 ADEEMO C[C@H](CC#N)[N@H+]1CCCSCC1 42443946 572017650 /nfs/dbraw/zinc/01/76/50/572017650.db2.gz ALNDDEBMVZKOOF-SECBINFHSA-N 1 1 184.308 1.727 10 30 ADEEMO CCC(C)(C)[N@@H+](C)CC[C@@](C)(N)C#N 69000954 572018356 /nfs/dbraw/zinc/01/83/56/572018356.db2.gz PUHHTMBLOLWFMD-LLVKDONJSA-N 1 1 197.326 1.738 10 30 ADEEMO CCC(C)(C)[N@H+](C)C[C@@](C)(C#N)NC 69000979 572018372 /nfs/dbraw/zinc/01/83/72/572018372.db2.gz SMXUJYBIDOMFQA-LLVKDONJSA-N 1 1 197.326 1.608 10 30 ADEEMO CCC(C)(C)[N@@H+](C)C[C@@](C)(C#N)NC 69000979 572018375 /nfs/dbraw/zinc/01/83/75/572018375.db2.gz SMXUJYBIDOMFQA-LLVKDONJSA-N 1 1 197.326 1.608 10 30 ADEEMO CCC(C)(C)[N@@H+](C)[C@@H](C)/C(N)=N/O 68998519 572018924 /nfs/dbraw/zinc/01/89/24/572018924.db2.gz VNIOCILYZHWBGY-ZETCQYMHSA-N 1 1 187.287 1.242 10 30 ADEEMO CCC(C)(C)[N@@H+](C)CCC=O 69000141 572019173 /nfs/dbraw/zinc/01/91/73/572019173.db2.gz OTUJDLILDYEXCQ-UHFFFAOYSA-N 1 1 157.257 1.696 10 30 ADEEMO CCC(C)(C)[N@H+](C)C[C@](C)(C#N)NC 69000981 572019324 /nfs/dbraw/zinc/01/93/24/572019324.db2.gz SMXUJYBIDOMFQA-NSHDSACASA-N 1 1 197.326 1.608 10 30 ADEEMO CCC(C)(C)[N@@H+](C)C[C@](C)(C#N)NC 69000981 572019326 /nfs/dbraw/zinc/01/93/26/572019326.db2.gz SMXUJYBIDOMFQA-NSHDSACASA-N 1 1 197.326 1.608 10 30 ADEEMO CCC(C)(C)[N@@H+](C)C[C@@](C)(N)C#N 69000951 572019450 /nfs/dbraw/zinc/01/94/50/572019450.db2.gz FHMCJKYJYPYHJU-JTQLQIEISA-N 1 1 183.299 1.348 10 30 ADEEMO CCC(C)(C)[N@@H+](C)CC[C@@H](N)C#N 69000947 572019806 /nfs/dbraw/zinc/01/98/06/572019806.db2.gz AGGHGDNTQKSKKT-SECBINFHSA-N 1 1 183.299 1.348 10 30 ADEEMO CCC(C)(C)[N@@H+](C)C[C@](C)(N)C#N 69000949 572020073 /nfs/dbraw/zinc/02/00/73/572020073.db2.gz FHMCJKYJYPYHJU-SNVBAGLBSA-N 1 1 183.299 1.348 10 30 ADEEMO CCC(C)(C)[N@@H+](C)CC[C@H](N)C#N 69000946 572020118 /nfs/dbraw/zinc/02/01/18/572020118.db2.gz AGGHGDNTQKSKKT-VIFPVBQESA-N 1 1 183.299 1.348 10 30 ADEEMO N#C[C@@H]1CCC[C@H]1[N@H+]1CCC[C@H](O)C1 42468218 572020642 /nfs/dbraw/zinc/02/06/42/572020642.db2.gz CPVHLVLKAFHNAQ-GARJFASQSA-N 1 1 194.278 1.135 10 30 ADEEMO C[C@@H]1[N@@H+](CC[C@@H]2CO2)CCOC1(C)C 687883571 572020931 /nfs/dbraw/zinc/02/09/31/572020931.db2.gz SFFVQAQTGXLKKQ-VHSXEESVSA-N 1 1 199.294 1.275 10 30 ADEEMO C[C@H]1[N@@H+](CC[C@@H]2CO2)CCOC1(C)C 687883567 572021052 /nfs/dbraw/zinc/02/10/52/572021052.db2.gz SFFVQAQTGXLKKQ-NXEZZACHSA-N 1 1 199.294 1.275 10 30 ADEEMO C[C@H]1[N@@H+](CC[C@H]2CO2)CCOC1(C)C 687883578 572022009 /nfs/dbraw/zinc/02/20/09/572022009.db2.gz SFFVQAQTGXLKKQ-ZJUUUORDSA-N 1 1 199.294 1.275 10 30 ADEEMO N#C[C@@H]1CCC[C@@H]1[N@H+]1CCC[C@H](O)C1 42468224 572022393 /nfs/dbraw/zinc/02/23/93/572022393.db2.gz CPVHLVLKAFHNAQ-DCAQKATOSA-N 1 1 194.278 1.135 10 30 ADEEMO C#CC[C@@H]([NH3+])C(=O)OCC(CC)CC 300884712 572022487 /nfs/dbraw/zinc/02/24/87/572022487.db2.gz SMOASAAXHKNDKU-SNVBAGLBSA-N 1 1 197.278 1.316 10 30 ADEEMO C[C@@H]1[N@@H+](CC[C@H]2CO2)CCOC1(C)C 687883569 572022655 /nfs/dbraw/zinc/02/26/55/572022655.db2.gz SFFVQAQTGXLKKQ-UWVGGRQHSA-N 1 1 199.294 1.275 10 30 ADEEMO C#CC[C@H]([NH3+])C(=O)OCC(CC)CC 300884711 572022826 /nfs/dbraw/zinc/02/28/26/572022826.db2.gz SMOASAAXHKNDKU-JTQLQIEISA-N 1 1 197.278 1.316 10 30 ADEEMO C=CCC[NH2+][C@H](CN)c1ccccn1 687699668 572024797 /nfs/dbraw/zinc/02/47/97/572024797.db2.gz OZIFDWKQMRICFJ-LLVKDONJSA-N 1 1 191.278 1.247 10 30 ADEEMO C=CCC[NH2+][C@@H](CN)c1ccccn1 687699669 572026078 /nfs/dbraw/zinc/02/60/78/572026078.db2.gz OZIFDWKQMRICFJ-NSHDSACASA-N 1 1 191.278 1.247 10 30 ADEEMO C#CC[NH2+]Cc1nn(C)c2ccccc12 82432753 572027222 /nfs/dbraw/zinc/02/72/22/572027222.db2.gz WYPCBYUPFASSPS-UHFFFAOYSA-N 1 1 199.257 1.296 10 30 ADEEMO C=C[C@@H](C)[N@@H+](CCCO)C1CC1 404250228 572028022 /nfs/dbraw/zinc/02/80/22/572028022.db2.gz MFPCKTHWIZXKIK-SECBINFHSA-N 1 1 169.268 1.408 10 30 ADEEMO C#CC[C@@H](CC)Nc1ccc(N)c[nH+]1 234026092 572028252 /nfs/dbraw/zinc/02/82/52/572028252.db2.gz DCLBJJKYSTWPHY-SNVBAGLBSA-N 1 1 189.262 1.878 10 30 ADEEMO C#CCC[N@H+](CC)[C@H](C)COC 82493961 572028649 /nfs/dbraw/zinc/02/86/49/572028649.db2.gz GANRNEKFBCHHBB-SNVBAGLBSA-N 1 1 169.268 1.367 10 30 ADEEMO C#CCC[N@@H+]1CCC[C@@H](OCCC)C1 82493914 572028811 /nfs/dbraw/zinc/02/88/11/572028811.db2.gz TXGLMNDAAUJTSL-GFCCVEGCSA-N 1 1 195.306 1.901 10 30 ADEEMO C=C[C@H](C)[N@@H+](CCCO)C1CC1 404250229 572028961 /nfs/dbraw/zinc/02/89/61/572028961.db2.gz MFPCKTHWIZXKIK-VIFPVBQESA-N 1 1 169.268 1.408 10 30 ADEEMO C#CCC[N@H+](CCOC)[C@H](C)CC 82493930 572029022 /nfs/dbraw/zinc/02/90/22/572029022.db2.gz UWRIMZLCLQPZIY-LLVKDONJSA-N 1 1 183.295 1.757 10 30 ADEEMO C#CCC[N@@H+]1CCC[C@H]1CN(C)C 82494028 572029705 /nfs/dbraw/zinc/02/97/05/572029705.db2.gz LGDCPKGAZZBRLZ-NSHDSACASA-N 1 1 180.295 1.036 10 30 ADEEMO C#CCCN1CCC[C@H]1C[NH+](C)C 82494028 572029707 /nfs/dbraw/zinc/02/97/07/572029707.db2.gz LGDCPKGAZZBRLZ-NSHDSACASA-N 1 1 180.295 1.036 10 30 ADEEMO C#CCC[N@H+](C)C[C@H]1CCCO1 82493852 572029928 /nfs/dbraw/zinc/02/99/28/572029928.db2.gz XXVGRXRHRHHNKU-SNVBAGLBSA-N 1 1 167.252 1.121 10 30 ADEEMO C#CCC[N@H+](C)C[C@H]1CCCCO1 82493855 572029970 /nfs/dbraw/zinc/02/99/70/572029970.db2.gz DJVSZXOCWCIQFY-LLVKDONJSA-N 1 1 181.279 1.511 10 30 ADEEMO CC[C@@H](O)C[N@@H+](CCC#N)C(C)C 42529957 572029993 /nfs/dbraw/zinc/02/99/93/572029993.db2.gz MGHPAVHBFKTSLN-SNVBAGLBSA-N 1 1 184.283 1.381 10 30 ADEEMO C#CCC[N@H+](CCOC)[C@@H](C)CC 82493932 572030134 /nfs/dbraw/zinc/03/01/34/572030134.db2.gz UWRIMZLCLQPZIY-NSHDSACASA-N 1 1 183.295 1.757 10 30 ADEEMO C[N@H+](CC1CCCC1)C[C@@](C)(N)C#N 82495595 572030196 /nfs/dbraw/zinc/03/01/96/572030196.db2.gz HJOHUTNKVYMNNL-NSHDSACASA-N 1 1 195.310 1.349 10 30 ADEEMO C[N@@H+](CC1CCCC1)C[C@@](C)(N)C#N 82495595 572030199 /nfs/dbraw/zinc/03/01/99/572030199.db2.gz HJOHUTNKVYMNNL-NSHDSACASA-N 1 1 195.310 1.349 10 30 ADEEMO C#CCC[N@H+](CC)[C@@H](C)COC 82493959 572030213 /nfs/dbraw/zinc/03/02/13/572030213.db2.gz GANRNEKFBCHHBB-JTQLQIEISA-N 1 1 169.268 1.367 10 30 ADEEMO C=CCC[N@H+](C)CC1(F)CC1 393472012 572030267 /nfs/dbraw/zinc/03/02/67/572030267.db2.gz DAHUFRLOICCMFN-UHFFFAOYSA-N 1 1 157.232 1.996 10 30 ADEEMO C#CCC[N@H+](CCOC)C1CC1 82493888 572030350 /nfs/dbraw/zinc/03/03/50/572030350.db2.gz IHEFQGZPLONMDC-UHFFFAOYSA-N 1 1 167.252 1.121 10 30 ADEEMO C#CCC[N@@H+]1CCC[C@H](OCCC)C1 82493915 572030426 /nfs/dbraw/zinc/03/04/26/572030426.db2.gz TXGLMNDAAUJTSL-LBPRGKRZSA-N 1 1 195.306 1.901 10 30 ADEEMO C#CCC[NH2+]C[C@H]1CCN(C2CC2)C1 82496932 572030494 /nfs/dbraw/zinc/03/04/94/572030494.db2.gz DCOVNFSNASOPBO-LLVKDONJSA-N 1 1 192.306 1.084 10 30 ADEEMO C#CCC[N@H+](C)C[C@@H]1CCCCO1 82493853 572030551 /nfs/dbraw/zinc/03/05/51/572030551.db2.gz DJVSZXOCWCIQFY-NSHDSACASA-N 1 1 181.279 1.511 10 30 ADEEMO C#CCC[NH2+]C[C@@H]1CCN(C2CC2)C1 82496931 572030686 /nfs/dbraw/zinc/03/06/86/572030686.db2.gz DCOVNFSNASOPBO-NSHDSACASA-N 1 1 192.306 1.084 10 30 ADEEMO C#CCC[N@H+](C)C[C@@H]1CCCO1 82493850 572030874 /nfs/dbraw/zinc/03/08/74/572030874.db2.gz XXVGRXRHRHHNKU-JTQLQIEISA-N 1 1 167.252 1.121 10 30 ADEEMO C#CCCNCC[N@@H+](C)C1CCCC1 82497122 572032124 /nfs/dbraw/zinc/03/21/24/572032124.db2.gz YGAWAYGNKIFREM-UHFFFAOYSA-N 1 1 194.322 1.474 10 30 ADEEMO C#CCCNCC[N@H+](C)C1CCCC1 82497122 572032127 /nfs/dbraw/zinc/03/21/27/572032127.db2.gz YGAWAYGNKIFREM-UHFFFAOYSA-N 1 1 194.322 1.474 10 30 ADEEMO C#CCC[NH2+]Cc1cc(C)on1 82497029 572032153 /nfs/dbraw/zinc/03/21/53/572032153.db2.gz UIVZJJNBEWJHLB-UHFFFAOYSA-N 1 1 164.208 1.096 10 30 ADEEMO CC[N@@H+](C[C@@H]1CO1)C1CCCC1 35766026 572032344 /nfs/dbraw/zinc/03/23/44/572032344.db2.gz KMWWFPCLWVOJQW-SNVBAGLBSA-N 1 1 169.268 1.650 10 30 ADEEMO C[N@H+](Cc1cccs1)C[C@H]1CO1 35717311 572032473 /nfs/dbraw/zinc/03/24/73/572032473.db2.gz CVXYDDJKUVLJGW-QMMMGPOBSA-N 1 1 183.276 1.579 10 30 ADEEMO CC[N@@H+](C[C@H]1CO1)C1CCCC1 35766028 572033056 /nfs/dbraw/zinc/03/30/56/572033056.db2.gz KMWWFPCLWVOJQW-JTQLQIEISA-N 1 1 169.268 1.650 10 30 ADEEMO CC[N@@H+](CC/C(N)=N/O)C1CCCC1 35766252 572033363 /nfs/dbraw/zinc/03/33/63/572033363.db2.gz UGAIDTPCZPIZNL-UHFFFAOYSA-N 1 1 199.298 1.387 10 30 ADEEMO N#CCCOCC[N@H+]1C[C@@H]2CCC[C@@H]21 687776877 572033450 /nfs/dbraw/zinc/03/34/50/572033450.db2.gz OQLWXXPPKLFZMH-QWRGUYRKSA-N 1 1 194.278 1.401 10 30 ADEEMO CC[C@@]1(C)COCC[N@H+]1CC[C@H]1CO1 687884067 572033479 /nfs/dbraw/zinc/03/34/79/572033479.db2.gz UEWCWNCMQIVKNT-QWRGUYRKSA-N 1 1 199.294 1.276 10 30 ADEEMO Cc1ccc(C[N@H+](C)C[C@H]2CO2)o1 35699690 572033783 /nfs/dbraw/zinc/03/37/83/572033783.db2.gz FJOGEAIWJVXYPK-JTQLQIEISA-N 1 1 181.235 1.419 10 30 ADEEMO Cc1ccc(C[N@@H+](C)C[C@H]2CO2)o1 35699690 572033786 /nfs/dbraw/zinc/03/37/86/572033786.db2.gz FJOGEAIWJVXYPK-JTQLQIEISA-N 1 1 181.235 1.419 10 30 ADEEMO C[N@H+](Cc1ccsc1)C[C@H]1CO1 35719171 572033821 /nfs/dbraw/zinc/03/38/21/572033821.db2.gz MPKCYEPVPPFHJV-VIFPVBQESA-N 1 1 183.276 1.579 10 30 ADEEMO C[N@@H+](Cc1ccco1)C[C@H]1CO1 35701837 572033865 /nfs/dbraw/zinc/03/38/65/572033865.db2.gz CIWQNOXNNGGCMW-VIFPVBQESA-N 1 1 167.208 1.110 10 30 ADEEMO C[N@H+](Cc1ccco1)C[C@H]1CO1 35701837 572033868 /nfs/dbraw/zinc/03/38/68/572033868.db2.gz CIWQNOXNNGGCMW-VIFPVBQESA-N 1 1 167.208 1.110 10 30 ADEEMO N#CCCOCC[N@H+]1C[C@H]2CCC[C@@H]21 687776876 572033951 /nfs/dbraw/zinc/03/39/51/572033951.db2.gz OQLWXXPPKLFZMH-MNOVXSKESA-N 1 1 194.278 1.401 10 30 ADEEMO C[N@H+](Cc1ccsc1)C[C@@H]1CO1 35719170 572034035 /nfs/dbraw/zinc/03/40/35/572034035.db2.gz MPKCYEPVPPFHJV-SECBINFHSA-N 1 1 183.276 1.579 10 30 ADEEMO N#CCCOCC[N@H+]1C[C@@H]2CCC[C@H]21 687776878 572034660 /nfs/dbraw/zinc/03/46/60/572034660.db2.gz OQLWXXPPKLFZMH-WDEREUQCSA-N 1 1 194.278 1.401 10 30 ADEEMO CC[C@@]1(C)COCC[N@H+]1CC[C@@H]1CO1 687884066 572034726 /nfs/dbraw/zinc/03/47/26/572034726.db2.gz UEWCWNCMQIVKNT-MNOVXSKESA-N 1 1 199.294 1.276 10 30 ADEEMO C#CC[C@@H](CC)Nc1[nH+]cccc1N 234027224 572034795 /nfs/dbraw/zinc/03/47/95/572034795.db2.gz XLHGXLYNRPCEJR-SECBINFHSA-N 1 1 189.262 1.878 10 30 ADEEMO C[C@H](C#N)C[NH2+][C@@H](C)c1cccnc1 35692083 572034827 /nfs/dbraw/zinc/03/48/27/572034827.db2.gz BNHOXTPHISPJTB-ZJUUUORDSA-N 1 1 189.262 1.892 10 30 ADEEMO N#CCCOCC[N@H+]1C[C@H]2CCC[C@H]21 687776875 572034965 /nfs/dbraw/zinc/03/49/65/572034965.db2.gz OQLWXXPPKLFZMH-GHMZBOCLSA-N 1 1 194.278 1.401 10 30 ADEEMO C[C@H](C#N)C[NH2+][C@H](C)c1cccnc1 35692085 572035141 /nfs/dbraw/zinc/03/51/41/572035141.db2.gz BNHOXTPHISPJTB-NXEZZACHSA-N 1 1 189.262 1.892 10 30 ADEEMO C[N@H+](Cc1cccs1)C[C@@H]1CO1 35717309 572035237 /nfs/dbraw/zinc/03/52/37/572035237.db2.gz CVXYDDJKUVLJGW-MRVPVSSYSA-N 1 1 183.276 1.579 10 30 ADEEMO CC[C@]1(C)COCC[N@H+]1CC[C@@H]1CO1 687884064 572035320 /nfs/dbraw/zinc/03/53/20/572035320.db2.gz UEWCWNCMQIVKNT-GHMZBOCLSA-N 1 1 199.294 1.276 10 30 ADEEMO C[C@H]([NH2+]C[C@@H](C)C#N)c1cccnc1 35692084 572035331 /nfs/dbraw/zinc/03/53/31/572035331.db2.gz BNHOXTPHISPJTB-UWVGGRQHSA-N 1 1 189.262 1.892 10 30 ADEEMO C[C@H](CO)C[N@@H+](C)CCCCCC#N 687776584 572035364 /nfs/dbraw/zinc/03/53/64/572035364.db2.gz FRFREIGZYFXVFM-NSHDSACASA-N 1 1 198.310 1.631 10 30 ADEEMO C=CCCC/C=C/C[N@@H+](C)CCO 113557115 572035387 /nfs/dbraw/zinc/03/53/87/572035387.db2.gz UKESNGBMGDYMAV-BQYQJAHWSA-N 1 1 183.295 1.823 10 30 ADEEMO C=CCCC/C=C\C[N@@H+](C)CCO 113557113 572035395 /nfs/dbraw/zinc/03/53/95/572035395.db2.gz UKESNGBMGDYMAV-FPLPWBNLSA-N 1 1 183.295 1.823 10 30 ADEEMO C[N@@H+](Cc1ccco1)C[C@@H]1CO1 35701834 572035440 /nfs/dbraw/zinc/03/54/40/572035440.db2.gz CIWQNOXNNGGCMW-SECBINFHSA-N 1 1 167.208 1.110 10 30 ADEEMO C[N@H+](Cc1ccco1)C[C@@H]1CO1 35701834 572035442 /nfs/dbraw/zinc/03/54/42/572035442.db2.gz CIWQNOXNNGGCMW-SECBINFHSA-N 1 1 167.208 1.110 10 30 ADEEMO CC[C@]1(C)COCC[N@H+]1CC[C@H]1CO1 687884069 572035465 /nfs/dbraw/zinc/03/54/65/572035465.db2.gz UEWCWNCMQIVKNT-WDEREUQCSA-N 1 1 199.294 1.276 10 30 ADEEMO C[C@@H](CO)C[N@@H+](C)CCCCCC#N 687776583 572035531 /nfs/dbraw/zinc/03/55/31/572035531.db2.gz FRFREIGZYFXVFM-LLVKDONJSA-N 1 1 198.310 1.631 10 30 ADEEMO Cc1ccc(C[N@H+](C)C[C@@H]2CO2)o1 35699688 572035706 /nfs/dbraw/zinc/03/57/06/572035706.db2.gz FJOGEAIWJVXYPK-SNVBAGLBSA-N 1 1 181.235 1.419 10 30 ADEEMO Cc1ccc(C[N@@H+](C)C[C@@H]2CO2)o1 35699688 572035707 /nfs/dbraw/zinc/03/57/07/572035707.db2.gz FJOGEAIWJVXYPK-SNVBAGLBSA-N 1 1 181.235 1.419 10 30 ADEEMO CC[C@H](CC#N)[N@H+]1CC[C@@](C)(O)C1 234031733 572036176 /nfs/dbraw/zinc/03/61/76/572036176.db2.gz WQHKOQANXQPFJN-NXEZZACHSA-N 1 1 182.267 1.135 10 30 ADEEMO C=CCNCC[N@H+]1CCC[C@@H](C)CC1 82490594 572038237 /nfs/dbraw/zinc/03/82/37/572038237.db2.gz IRGSFGHQBFQPFE-GFCCVEGCSA-N 1 1 196.338 1.884 10 30 ADEEMO C=CCNCC[N@@H+]1CCC[C@@H](C)CC1 82490594 572038239 /nfs/dbraw/zinc/03/82/39/572038239.db2.gz IRGSFGHQBFQPFE-GFCCVEGCSA-N 1 1 196.338 1.884 10 30 ADEEMO C#CCNCC[N@@H+]1CCC[C@@H](C)CC1 82490547 572038488 /nfs/dbraw/zinc/03/84/88/572038488.db2.gz GYYAZHKHBSSWGG-GFCCVEGCSA-N 1 1 194.322 1.331 10 30 ADEEMO C#CC[NH2+]CCN1CCC[C@@H](C)CC1 82490547 572038491 /nfs/dbraw/zinc/03/84/91/572038491.db2.gz GYYAZHKHBSSWGG-GFCCVEGCSA-N 1 1 194.322 1.331 10 30 ADEEMO C#C[C@H]([NH2+]Cc1cnco1)C(C)C 300908365 572038934 /nfs/dbraw/zinc/03/89/34/572038934.db2.gz LOQQVLBANUFVJN-JTQLQIEISA-N 1 1 178.235 1.422 10 30 ADEEMO CC[C@H]1CN(CCCC#N)CC[N@H+]1C 82478125 572038938 /nfs/dbraw/zinc/03/89/38/572038938.db2.gz OCRLEISUGJTOCT-NSHDSACASA-N 1 1 195.310 1.316 10 30 ADEEMO CC[C@H]1C[N@H+](CCCC#N)CCN1C 82478125 572038941 /nfs/dbraw/zinc/03/89/41/572038941.db2.gz OCRLEISUGJTOCT-NSHDSACASA-N 1 1 195.310 1.316 10 30 ADEEMO CC[C@H]1C[N@@H+](CCCC#N)CCN1C 82478125 572038943 /nfs/dbraw/zinc/03/89/43/572038943.db2.gz OCRLEISUGJTOCT-NSHDSACASA-N 1 1 195.310 1.316 10 30 ADEEMO C#CCNCC[N@@H+]1CCC[C@H](C)CC1 82490549 572040254 /nfs/dbraw/zinc/04/02/54/572040254.db2.gz GYYAZHKHBSSWGG-LBPRGKRZSA-N 1 1 194.322 1.331 10 30 ADEEMO C#CC[NH2+]CCN1CCC[C@H](C)CC1 82490549 572040256 /nfs/dbraw/zinc/04/02/56/572040256.db2.gz GYYAZHKHBSSWGG-LBPRGKRZSA-N 1 1 194.322 1.331 10 30 ADEEMO CC(C)c1noc([C@@H]([NH3+])CS)n1 687701486 572040599 /nfs/dbraw/zinc/04/05/99/572040599.db2.gz PCNNWKCWMFJZSD-YFKPBYRVSA-N 1 1 187.268 1.123 10 30 ADEEMO CC[C@H]1CCC[N@@H+](CC/C(N)=N/O)C1 36169749 572040679 /nfs/dbraw/zinc/04/06/79/572040679.db2.gz IYRWAICABDUZAP-VIFPVBQESA-N 1 1 199.298 1.245 10 30 ADEEMO CC[C@@H]1CN(CCCC#N)CC[N@H+]1C 82478124 572040717 /nfs/dbraw/zinc/04/07/17/572040717.db2.gz OCRLEISUGJTOCT-LLVKDONJSA-N 1 1 195.310 1.316 10 30 ADEEMO CC[C@@H]1C[N@H+](CCCC#N)CCN1C 82478124 572040719 /nfs/dbraw/zinc/04/07/19/572040719.db2.gz OCRLEISUGJTOCT-LLVKDONJSA-N 1 1 195.310 1.316 10 30 ADEEMO CC[C@@H]1C[N@@H+](CCCC#N)CCN1C 82478124 572040720 /nfs/dbraw/zinc/04/07/20/572040720.db2.gz OCRLEISUGJTOCT-LLVKDONJSA-N 1 1 195.310 1.316 10 30 ADEEMO C#C[C@@H]([NH2+]Cc1cnco1)C(C)C 300908367 572040773 /nfs/dbraw/zinc/04/07/73/572040773.db2.gz LOQQVLBANUFVJN-SNVBAGLBSA-N 1 1 178.235 1.422 10 30 ADEEMO CC(C)c1noc([C@H]([NH3+])CS)n1 687701485 572041180 /nfs/dbraw/zinc/04/11/80/572041180.db2.gz PCNNWKCWMFJZSD-RXMQYKEDSA-N 1 1 187.268 1.123 10 30 ADEEMO C[N@H+](CC1CCCC1)C[C@](C)(N)C#N 82492738 572041355 /nfs/dbraw/zinc/04/13/55/572041355.db2.gz HJOHUTNKVYMNNL-LLVKDONJSA-N 1 1 195.310 1.349 10 30 ADEEMO C[N@@H+](CC1CCCC1)C[C@](C)(N)C#N 82492738 572041357 /nfs/dbraw/zinc/04/13/57/572041357.db2.gz HJOHUTNKVYMNNL-LLVKDONJSA-N 1 1 195.310 1.349 10 30 ADEEMO C#CCNCC[N@H+](C)CC1CCCC1 82493164 572041589 /nfs/dbraw/zinc/04/15/89/572041589.db2.gz IOPFKZOKPJRFOT-UHFFFAOYSA-N 1 1 194.322 1.331 10 30 ADEEMO C#CC[NH2+]CCN(C)CC1CCCC1 82493164 572041594 /nfs/dbraw/zinc/04/15/94/572041594.db2.gz IOPFKZOKPJRFOT-UHFFFAOYSA-N 1 1 194.322 1.331 10 30 ADEEMO CC(C)[C@@H]1C[N@H+](CC=O)CCS1 687884370 572041621 /nfs/dbraw/zinc/04/16/21/572041621.db2.gz IQMMPZPUNJTNQE-VIFPVBQESA-N 1 1 187.308 1.259 10 30 ADEEMO CC(C)[C@@H]1C[N@@H+](CC=O)CCS1 687884370 572041624 /nfs/dbraw/zinc/04/16/24/572041624.db2.gz IQMMPZPUNJTNQE-VIFPVBQESA-N 1 1 187.308 1.259 10 30 ADEEMO CC(C)[C@H]1C[N@H+](CC=O)CCS1 687884365 572042173 /nfs/dbraw/zinc/04/21/73/572042173.db2.gz IQMMPZPUNJTNQE-SECBINFHSA-N 1 1 187.308 1.259 10 30 ADEEMO CC(C)[C@H]1C[N@@H+](CC=O)CCS1 687884365 572042178 /nfs/dbraw/zinc/04/21/78/572042178.db2.gz IQMMPZPUNJTNQE-SECBINFHSA-N 1 1 187.308 1.259 10 30 ADEEMO C[C@H]1CCCC[C@@H]1[N@@H+](C)C[C@@H]1CO1 42607353 572042231 /nfs/dbraw/zinc/04/22/31/572042231.db2.gz USMQLHDLGATZSQ-AXFHLTTASA-N 1 1 183.295 1.896 10 30 ADEEMO C[C@H]1CCCC[C@H]1[N@@H+](C)C[C@@H]1CO1 42607355 572042334 /nfs/dbraw/zinc/04/23/34/572042334.db2.gz USMQLHDLGATZSQ-HBNTYKKESA-N 1 1 183.295 1.896 10 30 ADEEMO C=CCC[N@@H+]1CC[C@H](C)C[C@@H]1CN 235597244 572042352 /nfs/dbraw/zinc/04/23/52/572042352.db2.gz QUIPIRPBWPSLAR-WDEREUQCSA-N 1 1 182.311 1.622 10 30 ADEEMO C=CCCN1CC[C@H](C)C[C@@H]1C[NH3+] 235597244 572042354 /nfs/dbraw/zinc/04/23/54/572042354.db2.gz QUIPIRPBWPSLAR-WDEREUQCSA-N 1 1 182.311 1.622 10 30 ADEEMO C[N@H+](CC1CCCC1)C[C@@H]1CO1 82492374 572042794 /nfs/dbraw/zinc/04/27/94/572042794.db2.gz GMORMZNQESHKPV-SNVBAGLBSA-N 1 1 169.268 1.507 10 30 ADEEMO C[N@@H+](CC[C@H](N)C#N)CC1CCCC1 82492703 572042914 /nfs/dbraw/zinc/04/29/14/572042914.db2.gz UMCMWJZTXDVGPS-NSHDSACASA-N 1 1 195.310 1.349 10 30 ADEEMO C[N@H+](CC1CCCC1)C[C@H]1CO1 82492376 572043072 /nfs/dbraw/zinc/04/30/72/572043072.db2.gz GMORMZNQESHKPV-JTQLQIEISA-N 1 1 169.268 1.507 10 30 ADEEMO C[N@@H+](CC[C@@H](N)C#N)CC1CCCC1 82492705 572043125 /nfs/dbraw/zinc/04/31/25/572043125.db2.gz UMCMWJZTXDVGPS-LLVKDONJSA-N 1 1 195.310 1.349 10 30 ADEEMO CC#CC[NH2+][C@@H](CN)[C@@H](C)CC(C)C 300915967 572044407 /nfs/dbraw/zinc/04/44/07/572044407.db2.gz MJLDACVKYCGVOE-RYUDHWBXSA-N 1 1 196.338 1.609 10 30 ADEEMO CC#CC[NH2+][C@H](CN)[C@@H](C)CC(C)C 300915965 572045410 /nfs/dbraw/zinc/04/54/10/572045410.db2.gz MJLDACVKYCGVOE-NWDGAFQWSA-N 1 1 196.338 1.609 10 30 ADEEMO CC#CC[NH2+][C@@H](CN)[C@H](C)CC(C)C 300915963 572045700 /nfs/dbraw/zinc/04/57/00/572045700.db2.gz MJLDACVKYCGVOE-NEPJUHHUSA-N 1 1 196.338 1.609 10 30 ADEEMO CC#CC[NH2+][C@H](CN)[C@H](C)CC(C)C 300915969 572045794 /nfs/dbraw/zinc/04/57/94/572045794.db2.gz MJLDACVKYCGVOE-VXGBXAGGSA-N 1 1 196.338 1.609 10 30 ADEEMO CC[C@@H](CC#N)[N@H+]1CCC[C@H](CO)C1 36227138 572046871 /nfs/dbraw/zinc/04/68/71/572046871.db2.gz KGEZEEWQVJCDLR-QWRGUYRKSA-N 1 1 196.294 1.383 10 30 ADEEMO CC(C)[C@H](O)C[N@@H+](CCC#N)C1CC1 300918449 572047432 /nfs/dbraw/zinc/04/74/32/572047432.db2.gz TULNAMXINRUBKP-LLVKDONJSA-N 1 1 196.294 1.381 10 30 ADEEMO CC(C)[C@H](O)C[N@H+](CCC#N)C1CC1 300918449 572047422 /nfs/dbraw/zinc/04/74/22/572047422.db2.gz TULNAMXINRUBKP-LLVKDONJSA-N 1 1 196.294 1.381 10 30 ADEEMO CC[C@H](CC#N)[N@H+]1CCC[C@H](CO)C1 36227139 572048051 /nfs/dbraw/zinc/04/80/51/572048051.db2.gz KGEZEEWQVJCDLR-WDEREUQCSA-N 1 1 196.294 1.383 10 30 ADEEMO C=C(C)C[N@H+]1CC[C@@H](C)C[C@H]1CN 300036249 572048561 /nfs/dbraw/zinc/04/85/61/572048561.db2.gz BJRPNPKISHIJTF-MNOVXSKESA-N 1 1 182.311 1.622 10 30 ADEEMO C=C(C)C[N@@H+]1CC[C@@H](C)C[C@H]1CN 300036249 572048563 /nfs/dbraw/zinc/04/85/63/572048563.db2.gz BJRPNPKISHIJTF-MNOVXSKESA-N 1 1 182.311 1.622 10 30 ADEEMO C[N@H+]1CC[C@]2(CCC[C@@H](CC#N)O2)C1 686228266 572048767 /nfs/dbraw/zinc/04/87/67/572048767.db2.gz VPWMIBKZAKSSGS-WDEREUQCSA-N 1 1 194.278 1.543 10 30 ADEEMO c1coc(C[N@@H+](C[C@@H]2CO2)C2CC2)c1 42692985 572049016 /nfs/dbraw/zinc/04/90/16/572049016.db2.gz VGUYYOQIYNXZNG-LLVKDONJSA-N 1 1 193.246 1.643 10 30 ADEEMO c1coc(C[N@H+](C[C@@H]2CO2)C2CC2)c1 42692985 572049026 /nfs/dbraw/zinc/04/90/26/572049026.db2.gz VGUYYOQIYNXZNG-LLVKDONJSA-N 1 1 193.246 1.643 10 30 ADEEMO C[N@H+]1CC[C@@]2(CCC[C@@H](CC#N)O2)C1 686228265 572049375 /nfs/dbraw/zinc/04/93/75/572049375.db2.gz VPWMIBKZAKSSGS-QWRGUYRKSA-N 1 1 194.278 1.543 10 30 ADEEMO C=C[C@H](C)[N@@H+]1CC[C@H](C)C[C@@H]1CN 300036149 572049397 /nfs/dbraw/zinc/04/93/97/572049397.db2.gz APSXTVRQXYJWDH-GARJFASQSA-N 1 1 182.311 1.620 10 30 ADEEMO C=C[C@H](C)[N@H+]1CC[C@H](C)C[C@@H]1CN 300036149 572049399 /nfs/dbraw/zinc/04/93/99/572049399.db2.gz APSXTVRQXYJWDH-GARJFASQSA-N 1 1 182.311 1.620 10 30 ADEEMO C[N@H+]1CC[C@@]2(CCC[C@H](CC#N)O2)C1 686228261 572049703 /nfs/dbraw/zinc/04/97/03/572049703.db2.gz VPWMIBKZAKSSGS-MNOVXSKESA-N 1 1 194.278 1.543 10 30 ADEEMO C[C@H](O)C[C@@H]1CCC[N@H+]1CCS 393338947 572049907 /nfs/dbraw/zinc/04/99/07/572049907.db2.gz QXAAXSZYUPYYOL-IUCAKERBSA-N 1 1 189.324 1.152 10 30 ADEEMO C=CC[C@H](C)NC[C@@H]1CCC[NH2+]1 235069609 572050277 /nfs/dbraw/zinc/05/02/77/572050277.db2.gz VBXRCMFEASXIKE-UWVGGRQHSA-N 1 1 168.284 1.293 10 30 ADEEMO C=CC[C@H](C)NC[C@H]1CCC[NH2+]1 235070172 572050312 /nfs/dbraw/zinc/05/03/12/572050312.db2.gz VBXRCMFEASXIKE-VHSXEESVSA-N 1 1 168.284 1.293 10 30 ADEEMO C[C@@H](O)C[C@H]1CCC[N@H+]1CCS 393338948 572050338 /nfs/dbraw/zinc/05/03/38/572050338.db2.gz QXAAXSZYUPYYOL-RKDXNWHRSA-N 1 1 189.324 1.152 10 30 ADEEMO CCCCC[C@@](C)([NH3+])C#N 34064372 572050439 /nfs/dbraw/zinc/05/04/39/572050439.db2.gz RCJOBLVEKCLVPT-MRVPVSSYSA-N 1 1 140.230 1.808 10 30 ADEEMO C=C[C@H]([NH3+])c1nccs1 113576350 572050544 /nfs/dbraw/zinc/05/05/44/572050544.db2.gz HSISGPYEAAHLNT-YFKPBYRVSA-N 1 1 140.211 1.329 10 30 ADEEMO CCCCC[C@](C)([NH3+])C#N 34064371 572051340 /nfs/dbraw/zinc/05/13/40/572051340.db2.gz RCJOBLVEKCLVPT-QMMMGPOBSA-N 1 1 140.230 1.808 10 30 ADEEMO C#C[C@H](CC)[N@@H+]1CC[C@H](C)C[C@@H]1CN 300039863 572051092 /nfs/dbraw/zinc/05/10/92/572051092.db2.gz PQYMAAVYJLDDCM-QJPTWQEYSA-N 1 1 194.322 1.457 10 30 ADEEMO C#C[C@H](CC)[N@H+]1CC[C@H](C)C[C@@H]1CN 300039863 572051107 /nfs/dbraw/zinc/05/11/07/572051107.db2.gz PQYMAAVYJLDDCM-QJPTWQEYSA-N 1 1 194.322 1.457 10 30 ADEEMO C[N@H+]1CC[C@]2(CCC[C@H](CC#N)O2)C1 686228259 572051114 /nfs/dbraw/zinc/05/11/14/572051114.db2.gz VPWMIBKZAKSSGS-GHMZBOCLSA-N 1 1 194.278 1.543 10 30 ADEEMO C[C@H](O)C[C@H]1CCC[N@H+]1CCS 393338946 572051263 /nfs/dbraw/zinc/05/12/63/572051263.db2.gz QXAAXSZYUPYYOL-DTWKUNHWSA-N 1 1 189.324 1.152 10 30 ADEEMO C=C[C@@H]([NH3+])c1nccs1 113576353 572051309 /nfs/dbraw/zinc/05/13/09/572051309.db2.gz HSISGPYEAAHLNT-RXMQYKEDSA-N 1 1 140.211 1.329 10 30 ADEEMO C[C@@H](O)C[C@@H]1CCC[N@H+]1CCS 393338945 572051660 /nfs/dbraw/zinc/05/16/60/572051660.db2.gz QXAAXSZYUPYYOL-BDAKNGLRSA-N 1 1 189.324 1.152 10 30 ADEEMO C#CC[N@H+](C)[C@H]1CC[C@H](C)OC1 401683227 572051875 /nfs/dbraw/zinc/05/18/75/572051875.db2.gz WLSGVDNRYHCGOK-UWVGGRQHSA-N 1 1 167.252 1.119 10 30 ADEEMO CN(C)CCC[N@H+](C)CCCCC#N 82541517 572052113 /nfs/dbraw/zinc/05/21/13/572052113.db2.gz QAMSHJKBRWQCSX-UHFFFAOYSA-N 1 1 197.326 1.564 10 30 ADEEMO CN(C)CCC[N@@H+](C)CCCCC#N 82541517 572052117 /nfs/dbraw/zinc/05/21/17/572052117.db2.gz QAMSHJKBRWQCSX-UHFFFAOYSA-N 1 1 197.326 1.564 10 30 ADEEMO C=C[C@H](C)N(C)C[C@@H]1CCC[NH2+]C1 235077799 572052589 /nfs/dbraw/zinc/05/25/89/572052589.db2.gz QAUXBMCEJHOBNJ-WDEREUQCSA-N 1 1 182.311 1.492 10 30 ADEEMO C#CC[N@H+](C)[C@@H]1CC[C@H](C)OC1 401683229 572052597 /nfs/dbraw/zinc/05/25/97/572052597.db2.gz WLSGVDNRYHCGOK-VHSXEESVSA-N 1 1 167.252 1.119 10 30 ADEEMO C#CC[N@H+](C)[C@@H]1CC[C@@H](C)OC1 401683226 572052723 /nfs/dbraw/zinc/05/27/23/572052723.db2.gz WLSGVDNRYHCGOK-NXEZZACHSA-N 1 1 167.252 1.119 10 30 ADEEMO CCOCC[N@H+](CC)[C@H](C)CC#N 82537155 572052879 /nfs/dbraw/zinc/05/28/79/572052879.db2.gz ALIIDANWXALNMA-SNVBAGLBSA-N 1 1 184.283 1.647 10 30 ADEEMO CCOCC[N@@H+](CC)[C@H](C)CC#N 82537155 572052881 /nfs/dbraw/zinc/05/28/81/572052881.db2.gz ALIIDANWXALNMA-SNVBAGLBSA-N 1 1 184.283 1.647 10 30 ADEEMO C#CC[N@H+](C)[C@H]1CC[C@@H](C)OC1 401683230 572053390 /nfs/dbraw/zinc/05/33/90/572053390.db2.gz WLSGVDNRYHCGOK-ZJUUUORDSA-N 1 1 167.252 1.119 10 30 ADEEMO CN(C)CC[N@@H+](C)CCCCC#N 82541472 572053929 /nfs/dbraw/zinc/05/39/29/572053929.db2.gz KYOSNMNGLPBYJL-UHFFFAOYSA-N 1 1 183.299 1.174 10 30 ADEEMO CN(CCCCC#N)CC[NH+](C)C 82541472 572053930 /nfs/dbraw/zinc/05/39/30/572053930.db2.gz KYOSNMNGLPBYJL-UHFFFAOYSA-N 1 1 183.299 1.174 10 30 ADEEMO CCOCC[N@H+](CC)[C@@H](C)CC#N 82537154 572053979 /nfs/dbraw/zinc/05/39/79/572053979.db2.gz ALIIDANWXALNMA-JTQLQIEISA-N 1 1 184.283 1.647 10 30 ADEEMO CCOCC[N@@H+](CC)[C@@H](C)CC#N 82537154 572053980 /nfs/dbraw/zinc/05/39/80/572053980.db2.gz ALIIDANWXALNMA-JTQLQIEISA-N 1 1 184.283 1.647 10 30 ADEEMO O=C[C@H]1CCC[N@H+]2CCCC[C@@H]12 196451688 572056315 /nfs/dbraw/zinc/05/63/15/572056315.db2.gz KDKISMUWLQWNNT-ZJUUUORDSA-N 1 1 167.252 1.450 10 30 ADEEMO C[N@H+](CCCCC#N)C1CCNCC1 36301334 572056836 /nfs/dbraw/zinc/05/68/36/572056836.db2.gz VHXZZLQNBDVJOV-UHFFFAOYSA-N 1 1 195.310 1.364 10 30 ADEEMO C[N@@H+](CCCCC#N)C1CCNCC1 36301334 572056839 /nfs/dbraw/zinc/05/68/39/572056839.db2.gz VHXZZLQNBDVJOV-UHFFFAOYSA-N 1 1 195.310 1.364 10 30 ADEEMO CC[C@@H](C/C(N)=N/O)n1cc[nH+]c1C 36678574 572057590 /nfs/dbraw/zinc/05/75/90/572057590.db2.gz COTOVHIZMSETDR-QMMMGPOBSA-N 1 1 196.254 1.279 10 30 ADEEMO C[C@H](C#N)C[N@H+]1[C@H]2CC[C@@H]1CC(O)C2 82597395 572057719 /nfs/dbraw/zinc/05/77/19/572057719.db2.gz CZVXZEUOYFPXEU-NFLHVTIKSA-N 1 1 194.278 1.134 10 30 ADEEMO C=C[C@H](C)[N@@H+]1CC[C@@H](C)C[C@H]1CN 300036151 572057937 /nfs/dbraw/zinc/05/79/37/572057937.db2.gz APSXTVRQXYJWDH-VWYCJHECSA-N 1 1 182.311 1.620 10 30 ADEEMO C=C[C@H](C)[N@H+]1CC[C@@H](C)C[C@H]1CN 300036151 572057941 /nfs/dbraw/zinc/05/79/41/572057941.db2.gz APSXTVRQXYJWDH-VWYCJHECSA-N 1 1 182.311 1.620 10 30 ADEEMO C[C@H](CC#N)[N@H+]1[C@H]2CC[C@@H]1CC(O)C2 82597411 572058589 /nfs/dbraw/zinc/05/85/89/572058589.db2.gz NGTBMYPGBDPTLA-NFLHVTIKSA-N 1 1 194.278 1.276 10 30 ADEEMO CC[C@H](CC#N)[N@@H+](C)C1CCOCC1 36321140 572058637 /nfs/dbraw/zinc/05/86/37/572058637.db2.gz FZKCGOVGNZWHQI-SNVBAGLBSA-N 1 1 196.294 1.789 10 30 ADEEMO CC[C@@H](C/C(N)=N/O)[N@@H+](C)C(C)C 36678120 572058747 /nfs/dbraw/zinc/05/87/47/572058747.db2.gz LTLRXAWDLQWVCY-QMMMGPOBSA-N 1 1 187.287 1.242 10 30 ADEEMO C[C@@H](CC#N)[N@H+]1[C@H]2CC[C@@H]1CC(O)C2 82597410 572058967 /nfs/dbraw/zinc/05/89/67/572058967.db2.gz NGTBMYPGBDPTLA-GKDVJIACSA-N 1 1 194.278 1.276 10 30 ADEEMO CC[C@@H](CC#N)[N@@H+](C)C1CCOCC1 36321138 572058935 /nfs/dbraw/zinc/05/89/35/572058935.db2.gz FZKCGOVGNZWHQI-JTQLQIEISA-N 1 1 196.294 1.789 10 30 ADEEMO CC[C@H](C/C(N)=N/O)[N@@H+](C)C(C)C 36678121 572059197 /nfs/dbraw/zinc/05/91/97/572059197.db2.gz LTLRXAWDLQWVCY-MRVPVSSYSA-N 1 1 187.287 1.242 10 30 ADEEMO CC[C@H](C/C(N)=N/O)n1cc[nH+]c1C 36678575 572059243 /nfs/dbraw/zinc/05/92/43/572059243.db2.gz COTOVHIZMSETDR-MRVPVSSYSA-N 1 1 196.254 1.279 10 30 ADEEMO C[C@@H](C#N)C[N@H+]1[C@H]2CC[C@@H]1CC(O)C2 82597397 572059703 /nfs/dbraw/zinc/05/97/03/572059703.db2.gz CZVXZEUOYFPXEU-GKDVJIACSA-N 1 1 194.278 1.134 10 30 ADEEMO N#CCCC[N@H+]1[C@H]2CC[C@@H]1CC(O)C2 82597393 572059870 /nfs/dbraw/zinc/05/98/70/572059870.db2.gz SCYUPTJEAKSRDL-ZACCUICWSA-N 1 1 194.278 1.278 10 30 ADEEMO CC[N@H+]1CCC[C@H]1CNC[C@@H](C)C#N 36667645 572059932 /nfs/dbraw/zinc/05/99/32/572059932.db2.gz AVLFSCRQFZRFSJ-QWRGUYRKSA-N 1 1 195.310 1.220 10 30 ADEEMO CCN1CCC[C@H]1C[NH2+]C[C@@H](C)C#N 36667645 572059936 /nfs/dbraw/zinc/05/99/36/572059936.db2.gz AVLFSCRQFZRFSJ-QWRGUYRKSA-N 1 1 195.310 1.220 10 30 ADEEMO C[N@@H+](CCCC#N)C1CCOCC1 36321101 572060000 /nfs/dbraw/zinc/06/00/00/572060000.db2.gz UHZKLPSLEHVYLA-UHFFFAOYSA-N 1 1 182.267 1.401 10 30 ADEEMO CCC(CC)[N@@H+](C)CC/C(N)=N/O 36789167 572061160 /nfs/dbraw/zinc/06/11/60/572061160.db2.gz ALCSUNFFXXCRGU-UHFFFAOYSA-N 1 1 187.287 1.243 10 30 ADEEMO CC(C)[N@@H+](C)C[C@@]1(C=O)CCCOC1 82582082 572061329 /nfs/dbraw/zinc/06/13/29/572061329.db2.gz AXJMYZOJZWZFHO-LLVKDONJSA-N 1 1 199.294 1.322 10 30 ADEEMO CCC[N@@H+](C)C[C@@]1(C=O)CCCOC1 82582110 572062515 /nfs/dbraw/zinc/06/25/15/572062515.db2.gz LTXHLOZUHMQKTQ-LLVKDONJSA-N 1 1 199.294 1.324 10 30 ADEEMO CCC(=O)C1=CC[C@@H]2CC[C@H]1[N@H+]2C 34179774 572062698 /nfs/dbraw/zinc/06/26/98/572062698.db2.gz NBLPKIOUMFCZNO-PSASIEDQSA-N 1 1 179.263 1.758 10 30 ADEEMO CC(C)[N@@H+](C)C[C@]1(C=O)CCCOC1 82582081 572062794 /nfs/dbraw/zinc/06/27/94/572062794.db2.gz AXJMYZOJZWZFHO-NSHDSACASA-N 1 1 199.294 1.322 10 30 ADEEMO CCC[N@@H+](C)C[C@]1(C=O)CCCOC1 82582109 572062760 /nfs/dbraw/zinc/06/27/60/572062760.db2.gz LTXHLOZUHMQKTQ-NSHDSACASA-N 1 1 199.294 1.324 10 30 ADEEMO C=CCC[C@H](C)[NH2+]Cc1noc(C)n1 235095617 572063474 /nfs/dbraw/zinc/06/34/74/572063474.db2.gz JUAVWQHIPIRJOC-QMMMGPOBSA-N 1 1 195.266 1.822 10 30 ADEEMO C=C(C)C[N@H+]1[C@H]2CC[C@@H]1CC(O)C2 82598031 572064580 /nfs/dbraw/zinc/06/45/80/572064580.db2.gz SGFXMJLQKZDPSN-ZACCUICWSA-N 1 1 181.279 1.550 10 30 ADEEMO C=C[C@@H](C)[N@H+]1[C@H]2CC[C@@H]1CC(O)C2 82598257 572064732 /nfs/dbraw/zinc/06/47/32/572064732.db2.gz ZYUDADQELZMMNC-NFLHVTIKSA-N 1 1 181.279 1.549 10 30 ADEEMO CC(C)[C@@H](C)[N@@H+](C)CC/C(N)=N/O 36787431 572065148 /nfs/dbraw/zinc/06/51/48/572065148.db2.gz XVSXWMPTLRJJON-MRVPVSSYSA-N 1 1 187.287 1.099 10 30 ADEEMO C=C[C@H](C)[N@H+]1[C@H]2CC[C@@H]1CC(O)C2 82598254 572065151 /nfs/dbraw/zinc/06/51/51/572065151.db2.gz ZYUDADQELZMMNC-GKDVJIACSA-N 1 1 181.279 1.549 10 30 ADEEMO CCC(CC)[N@@H+](C)C[C@H]1CO1 36789039 572065308 /nfs/dbraw/zinc/06/53/08/572065308.db2.gz GMCGLQHNIQDLQL-VIFPVBQESA-N 1 1 157.257 1.506 10 30 ADEEMO C[C@@H](C1CC1)[N@@H+](C)CCC/C(N)=N/O 36785500 572065646 /nfs/dbraw/zinc/06/56/46/572065646.db2.gz MKOVFQLECKIADS-QMMMGPOBSA-N 1 1 199.298 1.243 10 30 ADEEMO C[C@H]1C[C@H]1C[N@@H+](C)CCCC#N 82648582 572065901 /nfs/dbraw/zinc/06/59/01/572065901.db2.gz MOURJRZHUCJNOF-UWVGGRQHSA-N 1 1 166.268 1.878 10 30 ADEEMO C[C@H]1C[C@@H]1C[N@@H+](C)CCCC#N 82648580 572066146 /nfs/dbraw/zinc/06/61/46/572066146.db2.gz MOURJRZHUCJNOF-VHSXEESVSA-N 1 1 166.268 1.878 10 30 ADEEMO C[C@@H](C/C(N)=N/O)[N@@H+](C)C[C@@H]1C[C@H]1C 82648715 572066541 /nfs/dbraw/zinc/06/65/41/572066541.db2.gz KSHREEFAFSZRRA-VGMNWLOBSA-N 1 1 199.298 1.099 10 30 ADEEMO C[C@@H](C[N@@H+](C)[C@@H](C)C1CC1)/C(N)=N/O 36785508 572066606 /nfs/dbraw/zinc/06/66/06/572066606.db2.gz XDVKKJSJQSKQQT-YUMQZZPRSA-N 1 1 199.298 1.099 10 30 ADEEMO C[C@@H](C1CC1)[N@H+](C)C[C@@H](C)/C(N)=N/O 36785509 572066657 /nfs/dbraw/zinc/06/66/57/572066657.db2.gz XDVKKJSJQSKQQT-SFYZADRCSA-N 1 1 199.298 1.099 10 30 ADEEMO C[C@H](C1CC1)[N@@H+](C)CCC/C(N)=N/O 36785501 572066958 /nfs/dbraw/zinc/06/69/58/572066958.db2.gz MKOVFQLECKIADS-MRVPVSSYSA-N 1 1 199.298 1.243 10 30 ADEEMO CCC(CC)[N@@H+](C)C[C@@H]1CO1 36789038 572067040 /nfs/dbraw/zinc/06/70/40/572067040.db2.gz GMCGLQHNIQDLQL-SECBINFHSA-N 1 1 157.257 1.506 10 30 ADEEMO C[C@H]1C[C@H]1C[N@H+](C)[C@@H](C)C/C(N)=N/O 82648716 572067281 /nfs/dbraw/zinc/06/72/81/572067281.db2.gz KSHREEFAFSZRRA-CIUDSAMLSA-N 1 1 199.298 1.099 10 30 ADEEMO C[C@@H]1C[C@H]1C[N@@H+](C)CCCC#N 82648581 572067212 /nfs/dbraw/zinc/06/72/12/572067212.db2.gz MOURJRZHUCJNOF-ZJUUUORDSA-N 1 1 166.268 1.878 10 30 ADEEMO C[N@@H+](CCCC#N)Cc1ccncc1 36776167 572067695 /nfs/dbraw/zinc/06/76/95/572067695.db2.gz QITXBWRYCLJZJQ-UHFFFAOYSA-N 1 1 189.262 1.817 10 30 ADEEMO CC(=[NH2+])Nc1cc(C)nc(C)n1 196460044 572068083 /nfs/dbraw/zinc/06/80/83/572068083.db2.gz DMZBOQYUVAVFHP-UHFFFAOYSA-N 1 1 164.212 1.102 10 30 ADEEMO C[C@@H](C/C(N)=N/O)[N@@H+](C)C[C@H]1C[C@H]1C 82648713 572068437 /nfs/dbraw/zinc/06/84/37/572068437.db2.gz KSHREEFAFSZRRA-HRDYMLBCSA-N 1 1 199.298 1.099 10 30 ADEEMO CCC[C@@H](C)[N@@H+](C)CC/C(N)=N/O 36790768 572068491 /nfs/dbraw/zinc/06/84/91/572068491.db2.gz DIOSDLBQHKZKIJ-MRVPVSSYSA-N 1 1 187.287 1.243 10 30 ADEEMO CCC[C@H](C)[N@@H+](C)CC/C(N)=N/O 36790770 572069726 /nfs/dbraw/zinc/06/97/26/572069726.db2.gz DIOSDLBQHKZKIJ-QMMMGPOBSA-N 1 1 187.287 1.243 10 30 ADEEMO CN[C@H](C#N)CC[N@@H+](C)C[C@@H]1C[C@@H]1C 82649774 572069808 /nfs/dbraw/zinc/06/98/08/572069808.db2.gz JFDNPVSZYPOTMV-DCAQKATOSA-N 1 1 195.310 1.076 10 30 ADEEMO C=CCNC[C@H](C)[N@H+](C)C[C@H]1C[C@H]1C 82650715 572069884 /nfs/dbraw/zinc/06/98/84/572069884.db2.gz PQBOLAMPZDXUBC-GRYCIOLGSA-N 1 1 196.338 1.738 10 30 ADEEMO C=CCNC[C@H](C)[N@@H+](C)C[C@H]1C[C@H]1C 82650715 572069887 /nfs/dbraw/zinc/06/98/87/572069887.db2.gz PQBOLAMPZDXUBC-GRYCIOLGSA-N 1 1 196.338 1.738 10 30 ADEEMO C=CCNCC[N@@H+](C)C[C@H]1C[C@@H]1C 82652021 572070005 /nfs/dbraw/zinc/07/00/05/572070005.db2.gz ZXKVPEKECPEKNZ-WDEREUQCSA-N 1 1 182.311 1.350 10 30 ADEEMO C=CCNCC[N@H+](C)C[C@H]1C[C@@H]1C 82652021 572070009 /nfs/dbraw/zinc/07/00/09/572070009.db2.gz ZXKVPEKECPEKNZ-WDEREUQCSA-N 1 1 182.311 1.350 10 30 ADEEMO C=CCNCC[N@@H+](C)C[C@H]1C[C@H]1C 82652018 572070200 /nfs/dbraw/zinc/07/02/00/572070200.db2.gz ZXKVPEKECPEKNZ-GHMZBOCLSA-N 1 1 182.311 1.350 10 30 ADEEMO CN[C@H](C#N)CC[N@@H+](C)C[C@@H]1C[C@H]1C 82649773 572070219 /nfs/dbraw/zinc/07/02/19/572070219.db2.gz JFDNPVSZYPOTMV-VWYCJHECSA-N 1 1 195.310 1.076 10 30 ADEEMO CCC[C@@H](C)[N@@H+](C)C[C@@H]1CO1 36790518 572070489 /nfs/dbraw/zinc/07/04/89/572070489.db2.gz CZEFIEKNBXYKDJ-RKDXNWHRSA-N 1 1 157.257 1.506 10 30 ADEEMO C=C(C)C[N@@H+](CC)C[C@@H]([NH3+])CC 36872009 572071012 /nfs/dbraw/zinc/07/10/12/572071012.db2.gz PKWFTEFXPTXWGE-JTQLQIEISA-N 1 1 170.300 1.622 10 30 ADEEMO C=C(C)C[N@H+](CC)C[C@@H]([NH3+])CC 36872009 572071015 /nfs/dbraw/zinc/07/10/15/572071015.db2.gz PKWFTEFXPTXWGE-JTQLQIEISA-N 1 1 170.300 1.622 10 30 ADEEMO CCN(CCC#N)c1[nH]c(C)[nH+]c1N 42873343 572071237 /nfs/dbraw/zinc/07/12/37/572071237.db2.gz AVPBLQHZMQOLSX-UHFFFAOYSA-N 1 1 193.254 1.040 10 30 ADEEMO C#CCNC[C@H](C)[N@@H+](C)C[C@@H]1C[C@@H]1C 82650605 572071631 /nfs/dbraw/zinc/07/16/31/572071631.db2.gz LRZLOHWQCXPNJG-SRVKXCTJSA-N 1 1 194.322 1.186 10 30 ADEEMO C[C@@H]1C[C@H]1C[N@@H+](C)CCC=O 82649137 572071481 /nfs/dbraw/zinc/07/14/81/572071481.db2.gz GFFAMXUTJFPHKX-BDAKNGLRSA-N 1 1 155.241 1.163 10 30 ADEEMO C#CC[NH2+]C[C@H](C)N(C)C[C@@H]1C[C@@H]1C 82650605 572071635 /nfs/dbraw/zinc/07/16/35/572071635.db2.gz LRZLOHWQCXPNJG-SRVKXCTJSA-N 1 1 194.322 1.186 10 30 ADEEMO C#CCNC[C@H](C)[N@@H+](C)C[C@H]1C[C@H]1C 82650602 572071663 /nfs/dbraw/zinc/07/16/63/572071663.db2.gz LRZLOHWQCXPNJG-GRYCIOLGSA-N 1 1 194.322 1.186 10 30 ADEEMO C#CC[NH2+]C[C@H](C)N(C)C[C@H]1C[C@H]1C 82650602 572071665 /nfs/dbraw/zinc/07/16/65/572071665.db2.gz LRZLOHWQCXPNJG-GRYCIOLGSA-N 1 1 194.322 1.186 10 30 ADEEMO C[C@@H]1C[C@H]1C[N@@H+](C)CC[C@](C)(N)C#N 82649777 572071743 /nfs/dbraw/zinc/07/17/43/572071743.db2.gz VOLZWGVQSSBKLM-VWYCJHECSA-N 1 1 195.310 1.205 10 30 ADEEMO C=C(C)C[N@@H+](CC)C[C@H]([NH3+])CC 36872010 572071747 /nfs/dbraw/zinc/07/17/47/572071747.db2.gz PKWFTEFXPTXWGE-SNVBAGLBSA-N 1 1 170.300 1.622 10 30 ADEEMO C=C(C)C[N@H+](CC)C[C@H]([NH3+])CC 36872010 572071748 /nfs/dbraw/zinc/07/17/48/572071748.db2.gz PKWFTEFXPTXWGE-SNVBAGLBSA-N 1 1 170.300 1.622 10 30 ADEEMO C=C(C)CON[C@@H]1C[C@@H](C)[N@H+](C)C1 400910080 572072069 /nfs/dbraw/zinc/07/20/69/572072069.db2.gz ZRCDWRFTXSGXFQ-NXEZZACHSA-N 1 1 184.283 1.176 10 30 ADEEMO C[C@H]1C[C@@H]1C[N@@H+](C)CCC=O 82649136 572072424 /nfs/dbraw/zinc/07/24/24/572072424.db2.gz GFFAMXUTJFPHKX-DTWKUNHWSA-N 1 1 155.241 1.163 10 30 ADEEMO C[C@@H]1C[C@@H]1C[N@@H+](C)CC[C@](C)(N)C#N 82649775 572072253 /nfs/dbraw/zinc/07/22/53/572072253.db2.gz VOLZWGVQSSBKLM-MXWKQRLJSA-N 1 1 195.310 1.205 10 30 ADEEMO C=CCNC[C@H](C)[N@H+](C)C[C@@H]1C[C@H]1C 82651993 572072357 /nfs/dbraw/zinc/07/23/57/572072357.db2.gz PQBOLAMPZDXUBC-WOPDTQHZSA-N 1 1 196.338 1.738 10 30 ADEEMO C=CCNC[C@H](C)[N@@H+](C)C[C@@H]1C[C@H]1C 82651993 572072358 /nfs/dbraw/zinc/07/23/58/572072358.db2.gz PQBOLAMPZDXUBC-WOPDTQHZSA-N 1 1 196.338 1.738 10 30 ADEEMO C[C@@H]1C[C@@H]1C[N@@H+](C)CC(C)(C)C=O 82655510 572072389 /nfs/dbraw/zinc/07/23/89/572072389.db2.gz RDUPRDDOXLXMIN-NXEZZACHSA-N 1 1 183.295 1.799 10 30 ADEEMO C[C@@H]1C[C@H]1C[N@@H+](C)CC(C)(C)C=O 82655516 572072395 /nfs/dbraw/zinc/07/23/95/572072395.db2.gz RDUPRDDOXLXMIN-ZJUUUORDSA-N 1 1 183.295 1.799 10 30 ADEEMO C=C(C)CON[C@H]1C[C@H](C)[N@H+](C)C1 400910081 572072502 /nfs/dbraw/zinc/07/25/02/572072502.db2.gz ZRCDWRFTXSGXFQ-UWVGGRQHSA-N 1 1 184.283 1.176 10 30 ADEEMO C[C@H]1C[C@H]1C[N@@H+](C)CCC=O 82649138 572072525 /nfs/dbraw/zinc/07/25/25/572072525.db2.gz GFFAMXUTJFPHKX-IUCAKERBSA-N 1 1 155.241 1.163 10 30 ADEEMO C=CCNCC[N@@H+](C)C[C@@H]1C[C@H]1C 82652029 572072458 /nfs/dbraw/zinc/07/24/58/572072458.db2.gz ZXKVPEKECPEKNZ-MNOVXSKESA-N 1 1 182.311 1.350 10 30 ADEEMO C=CCNCC[N@H+](C)C[C@@H]1C[C@H]1C 82652029 572072461 /nfs/dbraw/zinc/07/24/61/572072461.db2.gz ZXKVPEKECPEKNZ-MNOVXSKESA-N 1 1 182.311 1.350 10 30 ADEEMO CN[C@H](C#N)CC[N@@H+](C)C[C@H]1C[C@@H]1C 82649772 572072642 /nfs/dbraw/zinc/07/26/42/572072642.db2.gz JFDNPVSZYPOTMV-AXFHLTTASA-N 1 1 195.310 1.076 10 30 ADEEMO C=CCNC[C@H](C)[N@H+](C)C[C@H]1C[C@@H]1C 82651987 572072747 /nfs/dbraw/zinc/07/27/47/572072747.db2.gz PQBOLAMPZDXUBC-SDDRHHMPSA-N 1 1 196.338 1.738 10 30 ADEEMO C=CCNC[C@H](C)[N@@H+](C)C[C@H]1C[C@@H]1C 82651987 572072751 /nfs/dbraw/zinc/07/27/51/572072751.db2.gz PQBOLAMPZDXUBC-SDDRHHMPSA-N 1 1 196.338 1.738 10 30 ADEEMO C=C(C)CON[C@H]1C[C@@H](C)[N@H+](C)C1 400910083 572073076 /nfs/dbraw/zinc/07/30/76/572073076.db2.gz ZRCDWRFTXSGXFQ-ZJUUUORDSA-N 1 1 184.283 1.176 10 30 ADEEMO C=C(C)CON[C@@H]1C[C@H](C)[N@H+](C)C1 400910082 572073162 /nfs/dbraw/zinc/07/31/62/572073162.db2.gz ZRCDWRFTXSGXFQ-VHSXEESVSA-N 1 1 184.283 1.176 10 30 ADEEMO C=CCNC(=O)[C@H](C)n1cc[nH+]c1C 82615279 572075453 /nfs/dbraw/zinc/07/54/53/572075453.db2.gz PLJFQBLIBATMGO-QMMMGPOBSA-N 1 1 193.250 1.055 10 30 ADEEMO C=C[C@H](C)ON[C@@H]1CCC[N@@H+](C)C1 400908245 572076176 /nfs/dbraw/zinc/07/61/76/572076176.db2.gz XTHLFTQSKMZBFQ-VHSXEESVSA-N 1 1 184.283 1.176 10 30 ADEEMO Cc1ncsc1C[N@H+](C)C[C@@H]1CO1 82632914 572076810 /nfs/dbraw/zinc/07/68/10/572076810.db2.gz JJUYZWYCABNEDR-MRVPVSSYSA-N 1 1 198.291 1.282 10 30 ADEEMO Cc1ncsc1C[N@@H+](C)C[C@@H]1CO1 82632914 572076813 /nfs/dbraw/zinc/07/68/13/572076813.db2.gz JJUYZWYCABNEDR-MRVPVSSYSA-N 1 1 198.291 1.282 10 30 ADEEMO Cc1ncsc1C[N@H+](C)C[C@H]1CO1 82632916 572077340 /nfs/dbraw/zinc/07/73/40/572077340.db2.gz JJUYZWYCABNEDR-QMMMGPOBSA-N 1 1 198.291 1.282 10 30 ADEEMO Cc1ncsc1C[N@@H+](C)C[C@H]1CO1 82632916 572077342 /nfs/dbraw/zinc/07/73/42/572077342.db2.gz JJUYZWYCABNEDR-QMMMGPOBSA-N 1 1 198.291 1.282 10 30 ADEEMO C=C[C@H](C)N1CCC[C@H](C[NH2+]CC)C1 82645853 572078459 /nfs/dbraw/zinc/07/84/59/572078459.db2.gz VRBKVVWHCCYOML-NWDGAFQWSA-N 1 1 196.338 1.882 10 30 ADEEMO CC(=O)[C@@H]1CCCC[N@@H+]1CCCC#N 82645179 572078775 /nfs/dbraw/zinc/07/87/75/572078775.db2.gz YMDBVHJNEHNWNY-NSHDSACASA-N 1 1 194.278 1.734 10 30 ADEEMO CC(=O)[C@@H]1CCCC[N@H+]1CCCC#N 82645179 572078777 /nfs/dbraw/zinc/07/87/77/572078777.db2.gz YMDBVHJNEHNWNY-NSHDSACASA-N 1 1 194.278 1.734 10 30 ADEEMO C#CCCN1CCC[C@@H](C[NH2+]CC)C1 82645886 572078951 /nfs/dbraw/zinc/07/89/51/572078951.db2.gz OVBJIXRROKTQTM-LBPRGKRZSA-N 1 1 194.322 1.331 10 30 ADEEMO CCCC[N@@H+](C)C[C@H](C)/C(N)=N/O 36986918 572079048 /nfs/dbraw/zinc/07/90/48/572079048.db2.gz WEYRFJNHUURMRW-QMMMGPOBSA-N 1 1 187.287 1.101 10 30 ADEEMO CCCC[N@@H+](C)C[C@@H](C)/C(N)=N/O 36986917 572079109 /nfs/dbraw/zinc/07/91/09/572079109.db2.gz WEYRFJNHUURMRW-MRVPVSSYSA-N 1 1 187.287 1.101 10 30 ADEEMO C=C(C)CN1CCC[C@@H](C[NH2+]CC)C1 82645848 572079269 /nfs/dbraw/zinc/07/92/69/572079269.db2.gz VVJFAZCKUYUVPV-LBPRGKRZSA-N 1 1 196.338 1.884 10 30 ADEEMO CC(=O)[C@@H]1CCC[N@@H+](CCCC#N)C1 82644705 572079337 /nfs/dbraw/zinc/07/93/37/572079337.db2.gz DWJMBHSDYCYDSM-LLVKDONJSA-N 1 1 194.278 1.591 10 30 ADEEMO CC#CC[N@H+]1CCCC[C@@H]1CC=O 34408313 572079396 /nfs/dbraw/zinc/07/93/96/572079396.db2.gz PKNNUFCXRNCYMQ-LLVKDONJSA-N 1 1 179.263 1.453 10 30 ADEEMO C=C[C@@H](C)[NH2+]Cc1ncnn1CCC 229206938 572079555 /nfs/dbraw/zinc/07/95/55/572079555.db2.gz OEDYEIHVRMTEDL-SECBINFHSA-N 1 1 194.282 1.352 10 30 ADEEMO CC#CC[N@H+]1CCCC[C@H]1CC=O 34408314 572079980 /nfs/dbraw/zinc/07/99/80/572079980.db2.gz PKNNUFCXRNCYMQ-NSHDSACASA-N 1 1 179.263 1.453 10 30 ADEEMO Cc1ncsc1C[N@H+](C)CCC=O 82633801 572080007 /nfs/dbraw/zinc/08/00/07/572080007.db2.gz NKAJFJMSCNJUQV-UHFFFAOYSA-N 1 1 198.291 1.472 10 30 ADEEMO Cc1ncsc1C[N@@H+](C)CCC=O 82633801 572080010 /nfs/dbraw/zinc/08/00/10/572080010.db2.gz NKAJFJMSCNJUQV-UHFFFAOYSA-N 1 1 198.291 1.472 10 30 ADEEMO C=C(C)CN1CCC[C@H](C[NH2+]CC)C1 82645849 572080171 /nfs/dbraw/zinc/08/01/71/572080171.db2.gz VVJFAZCKUYUVPV-GFCCVEGCSA-N 1 1 196.338 1.884 10 30 ADEEMO C#CCCN1CCC[C@H](C[NH2+]CC)C1 82645887 572080191 /nfs/dbraw/zinc/08/01/91/572080191.db2.gz OVBJIXRROKTQTM-GFCCVEGCSA-N 1 1 194.322 1.331 10 30 ADEEMO C=C[C@H](C)N1CCC[C@@H](C[NH2+]CC)C1 82645852 572080365 /nfs/dbraw/zinc/08/03/65/572080365.db2.gz VRBKVVWHCCYOML-RYUDHWBXSA-N 1 1 196.338 1.882 10 30 ADEEMO CC(=O)[C@H]1CCC[N@@H+](CCCC#N)C1 82644706 572080573 /nfs/dbraw/zinc/08/05/73/572080573.db2.gz DWJMBHSDYCYDSM-NSHDSACASA-N 1 1 194.278 1.591 10 30 ADEEMO CC(=O)[C@H]1CCCC[N@@H+]1CCCC#N 82645180 572081040 /nfs/dbraw/zinc/08/10/40/572081040.db2.gz YMDBVHJNEHNWNY-LLVKDONJSA-N 1 1 194.278 1.734 10 30 ADEEMO CC(=O)[C@H]1CCCC[N@H+]1CCCC#N 82645180 572081041 /nfs/dbraw/zinc/08/10/41/572081041.db2.gz YMDBVHJNEHNWNY-LLVKDONJSA-N 1 1 194.278 1.734 10 30 ADEEMO CC[N@@H+](C[C@H](C)/C(N)=N/O)C(C)C 37082317 572084895 /nfs/dbraw/zinc/08/48/95/572084895.db2.gz HLMGQHAPGFPBIH-QMMMGPOBSA-N 1 1 187.287 1.099 10 30 ADEEMO CC[C@@H](C/C(N)=N/O)[N@@H+](CC)C1CC1 37080041 572086105 /nfs/dbraw/zinc/08/61/05/572086105.db2.gz ZDBFCVQGSXVHTO-QMMMGPOBSA-N 1 1 199.298 1.386 10 30 ADEEMO CC[C@@H]1CCCC[N@H+]1CC/C(N)=N/O 37083424 572086302 /nfs/dbraw/zinc/08/63/02/572086302.db2.gz DFMMTEAEVZAVSV-SECBINFHSA-N 1 1 199.298 1.387 10 30 ADEEMO CC[C@H](C/C(N)=N/O)[N@@H+](CC)C1CC1 37080042 572087182 /nfs/dbraw/zinc/08/71/82/572087182.db2.gz ZDBFCVQGSXVHTO-MRVPVSSYSA-N 1 1 199.298 1.386 10 30 ADEEMO CC[N@@H+](C[C@@H](C)/C(N)=N/O)C(C)C 37082316 572087294 /nfs/dbraw/zinc/08/72/94/572087294.db2.gz HLMGQHAPGFPBIH-MRVPVSSYSA-N 1 1 187.287 1.099 10 30 ADEEMO C[C@@H](C[N@@H+](C)C1CCCC1)/C(N)=N/O 37092791 572087357 /nfs/dbraw/zinc/08/73/57/572087357.db2.gz VTLDDZZESIKCSA-QMMMGPOBSA-N 1 1 199.298 1.243 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@H+]1C[C@H](C)C[C@H]1C 300932617 572087615 /nfs/dbraw/zinc/08/76/15/572087615.db2.gz BWNDPUHYHPWARZ-OPRDCNLKSA-N 1 1 197.278 1.444 10 30 ADEEMO C[C@H](C[N@@H+](C)C1CCCC1)/C(N)=N/O 37092792 572087651 /nfs/dbraw/zinc/08/76/51/572087651.db2.gz VTLDDZZESIKCSA-MRVPVSSYSA-N 1 1 199.298 1.243 10 30 ADEEMO CCC[N@@H+](CC)CCC/C(N)=N/O 37095145 572088449 /nfs/dbraw/zinc/08/84/49/572088449.db2.gz HTSDCAVIWUUSTN-UHFFFAOYSA-N 1 1 187.287 1.245 10 30 ADEEMO CCC[N@@H+](CC/C(N)=N/O)C(C)C 37096270 572089368 /nfs/dbraw/zinc/08/93/68/572089368.db2.gz UPHXDOGCZOXQLH-UHFFFAOYSA-N 1 1 187.287 1.243 10 30 ADEEMO C=C(C[NH3+])C[N@H+]1C[C@@H]2CCCCC[C@H]21 687889927 572088873 /nfs/dbraw/zinc/08/88/73/572088873.db2.gz WDMKRFLGJLTCGP-NWDGAFQWSA-N 1 1 194.322 1.766 10 30 ADEEMO CCC[N@@H+](CC)C[C@@H](C)/C(N)=N/O 37095141 572089909 /nfs/dbraw/zinc/08/99/09/572089909.db2.gz FBLMDPMZYGQVET-MRVPVSSYSA-N 1 1 187.287 1.101 10 30 ADEEMO O=C[C@@H]1CCC[N@@H+](CCOC2CC2)C1 711709053 572089990 /nfs/dbraw/zinc/08/99/90/572089990.db2.gz JWNXGPKREJCYGD-SNVBAGLBSA-N 1 1 197.278 1.076 10 30 ADEEMO C=C[C@H](C)ON[C@H]1CC[N@H+]2CCC[C@H]12 400928867 572089992 /nfs/dbraw/zinc/08/99/92/572089992.db2.gz JQFNBEHOLFULGJ-GARJFASQSA-N 1 1 196.294 1.319 10 30 ADEEMO C=C[C@H](C)ON[C@@H]1CC[N@H+]2CCC[C@@H]12 400928858 572090100 /nfs/dbraw/zinc/09/01/00/572090100.db2.gz JQFNBEHOLFULGJ-AXFHLTTASA-N 1 1 196.294 1.319 10 30 ADEEMO C=C[C@H](C)ON[C@@H]1CC[N@H+]2CCC[C@H]12 400928871 572090285 /nfs/dbraw/zinc/09/02/85/572090285.db2.gz JQFNBEHOLFULGJ-HBNTYKKESA-N 1 1 196.294 1.319 10 30 ADEEMO C=C(C[NH3+])C[N@H+]1C[C@@H]2CCCCC[C@@H]21 687889929 572090311 /nfs/dbraw/zinc/09/03/11/572090311.db2.gz WDMKRFLGJLTCGP-RYUDHWBXSA-N 1 1 194.322 1.766 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@H+](CC)C(C)C 300934052 572090728 /nfs/dbraw/zinc/09/07/28/572090728.db2.gz CCYUSPMTVCAVFY-SECBINFHSA-N 1 1 185.267 1.444 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@@H+](CC)C(C)C 300934052 572090730 /nfs/dbraw/zinc/09/07/30/572090730.db2.gz CCYUSPMTVCAVFY-SECBINFHSA-N 1 1 185.267 1.444 10 30 ADEEMO C=C[C@H](C)ON[C@H]1CC[N@H+]2CCC[C@@H]12 400928863 572090832 /nfs/dbraw/zinc/09/08/32/572090832.db2.gz JQFNBEHOLFULGJ-DCAQKATOSA-N 1 1 196.294 1.319 10 30 ADEEMO C=C[C@@H](C(=O)OC)[N@H+](CC)C(C)C 300934066 572090851 /nfs/dbraw/zinc/09/08/51/572090851.db2.gz CCYUSPMTVCAVFY-VIFPVBQESA-N 1 1 185.267 1.444 10 30 ADEEMO C=C[C@@H](C(=O)OC)[N@@H+](CC)C(C)C 300934066 572090852 /nfs/dbraw/zinc/09/08/52/572090852.db2.gz CCYUSPMTVCAVFY-VIFPVBQESA-N 1 1 185.267 1.444 10 30 ADEEMO CCC[N@@H+](C[C@@H]1CO1)C1CC1 37097272 572090886 /nfs/dbraw/zinc/09/08/86/572090886.db2.gz CDKBPHVTEQJZSN-SECBINFHSA-N 1 1 155.241 1.260 10 30 ADEEMO C=C(C[NH3+])C[N@H+]1C[C@H]2CCCCC[C@H]21 687889930 572090977 /nfs/dbraw/zinc/09/09/77/572090977.db2.gz WDMKRFLGJLTCGP-VXGBXAGGSA-N 1 1 194.322 1.766 10 30 ADEEMO CCC[N@@H+](C[C@H]1CO1)C(C)C 37096131 572091072 /nfs/dbraw/zinc/09/10/72/572091072.db2.gz VGTPQBVHODIKMH-VIFPVBQESA-N 1 1 157.257 1.506 10 30 ADEEMO C=C(C[NH3+])C[N@H+]1C[C@H]2CCCCC[C@@H]21 687889925 572091087 /nfs/dbraw/zinc/09/10/87/572091087.db2.gz WDMKRFLGJLTCGP-NEPJUHHUSA-N 1 1 194.322 1.766 10 30 ADEEMO CCC[N@@H+](CC)C[C@H](C)/C(N)=N/O 37095142 572091376 /nfs/dbraw/zinc/09/13/76/572091376.db2.gz FBLMDPMZYGQVET-QMMMGPOBSA-N 1 1 187.287 1.101 10 30 ADEEMO CCC[N@@H+](C)[C@@H](CC)C/C(N)=N/O 37098461 572094068 /nfs/dbraw/zinc/09/40/68/572094068.db2.gz SEYCSQMIYNMEFT-QMMMGPOBSA-N 1 1 187.287 1.243 10 30 ADEEMO CCC[N@@H+](C[C@@H](C)/C(N)=N/O)C1CC1 37097362 572094079 /nfs/dbraw/zinc/09/40/79/572094079.db2.gz RQMVEXBNOJPHOJ-MRVPVSSYSA-N 1 1 199.298 1.243 10 30 ADEEMO C=CC[N@@H+](CCCC)CCCO 238206094 572094177 /nfs/dbraw/zinc/09/41/77/572094177.db2.gz DEWQLYQHVOWFBJ-UHFFFAOYSA-N 1 1 171.284 1.657 10 30 ADEEMO CCC[N@@H+](C)[C@H](CC)C/C(N)=N/O 37098462 572094186 /nfs/dbraw/zinc/09/41/86/572094186.db2.gz SEYCSQMIYNMEFT-MRVPVSSYSA-N 1 1 187.287 1.243 10 30 ADEEMO CCC[N@@H+](C[C@H](C)/C(N)=N/O)C1CC1 37097363 572095311 /nfs/dbraw/zinc/09/53/11/572095311.db2.gz RQMVEXBNOJPHOJ-QMMMGPOBSA-N 1 1 199.298 1.243 10 30 ADEEMO CCC(CC)=[NH+]CCO 34580521 572095640 /nfs/dbraw/zinc/09/56/40/572095640.db2.gz URIMAESNZLZJBU-UHFFFAOYSA-N 1 1 129.203 1.240 10 30 ADEEMO CC[C@@H](C)[N@@H+](C)C[C@@H](C)/C(N)=N/O 37110230 572095843 /nfs/dbraw/zinc/09/58/43/572095843.db2.gz OXQKRLGYDMCOLQ-HTQZYQBOSA-N 1 1 187.287 1.099 10 30 ADEEMO CC[N@H+]1CC[C@]2(CC[C@@H](CC#N)O2)C1 686228598 572095983 /nfs/dbraw/zinc/09/59/83/572095983.db2.gz YXPAKKGKOHGNLZ-WDEREUQCSA-N 1 1 194.278 1.543 10 30 ADEEMO CC[N@H+]1CC[C@@]2(CC[C@H](CC#N)O2)C1 686228592 572096021 /nfs/dbraw/zinc/09/60/21/572096021.db2.gz YXPAKKGKOHGNLZ-MNOVXSKESA-N 1 1 194.278 1.543 10 30 ADEEMO Cc1nc(/[NH+]=C/N(C)C)sc1C 34577403 572096166 /nfs/dbraw/zinc/09/61/66/572096166.db2.gz RDAZVVTVELHSMS-WEVVVXLNSA-N 1 1 183.280 1.981 10 30 ADEEMO CC[N@H+]1CC[C@@]2(CC[C@@H](CC#N)O2)C1 686228595 572096671 /nfs/dbraw/zinc/09/66/71/572096671.db2.gz YXPAKKGKOHGNLZ-QWRGUYRKSA-N 1 1 194.278 1.543 10 30 ADEEMO C#C[C@H](CC)[NH2+][C@@H](C)CC#N 234041991 572097084 /nfs/dbraw/zinc/09/70/84/572097084.db2.gz SKMDWMQYSWCKQJ-DTWKUNHWSA-N 1 1 150.225 1.290 10 30 ADEEMO CC[C@H](C)[N@@H+](CC)CC/C(N)=N/O 37113210 572097294 /nfs/dbraw/zinc/09/72/94/572097294.db2.gz DFXXEMQCQPDCMN-QMMMGPOBSA-N 1 1 187.287 1.243 10 30 ADEEMO CC[C@H](C)[N@@H+](C)C[C@@H](C)/C(N)=N/O 37110231 572097604 /nfs/dbraw/zinc/09/76/04/572097604.db2.gz OXQKRLGYDMCOLQ-SFYZADRCSA-N 1 1 187.287 1.099 10 30 ADEEMO CC[N@@H+](CC(C)C)C[C@H]1CO1 37111560 572098297 /nfs/dbraw/zinc/09/82/97/572098297.db2.gz LAKCSOHPIPCHIC-VIFPVBQESA-N 1 1 157.257 1.363 10 30 ADEEMO CC[C@H](C)[N@@H+](CC)C[C@@H]1CO1 37113044 572098310 /nfs/dbraw/zinc/09/83/10/572098310.db2.gz GRNPKESPIKWTGI-DTWKUNHWSA-N 1 1 157.257 1.506 10 30 ADEEMO CC[C@@H](C)[N@@H+](CC)C[C@@H]1CO1 37113043 572098320 /nfs/dbraw/zinc/09/83/20/572098320.db2.gz GRNPKESPIKWTGI-RKDXNWHRSA-N 1 1 157.257 1.506 10 30 ADEEMO CC[C@H](C)[N@@H+](C)CCC/C(N)=N/O 37110237 572098833 /nfs/dbraw/zinc/09/88/33/572098833.db2.gz SMHKNXHUANNCPD-QMMMGPOBSA-N 1 1 187.287 1.243 10 30 ADEEMO CC[N@@H+](CC(C)C)C[C@@H]1CO1 37111559 572099179 /nfs/dbraw/zinc/09/91/79/572099179.db2.gz LAKCSOHPIPCHIC-SECBINFHSA-N 1 1 157.257 1.363 10 30 ADEEMO CC[N@H+]1CC[C@]2(CC[C@H](CC#N)O2)C1 686228590 572099211 /nfs/dbraw/zinc/09/92/11/572099211.db2.gz YXPAKKGKOHGNLZ-GHMZBOCLSA-N 1 1 194.278 1.543 10 30 ADEEMO C[NH+]=Cc1ccccc1NC(=O)OC 114354981 572102753 /nfs/dbraw/zinc/10/27/53/572102753.db2.gz CSMZXFFZKBUQFO-XFFZJAGNSA-N 1 1 192.218 1.914 10 30 ADEEMO CC[C@@H](C)C[N@@H+](C)C[C@@H]1CO1 37173018 572103522 /nfs/dbraw/zinc/10/35/22/572103522.db2.gz GZULSVHDJXBNNG-RKDXNWHRSA-N 1 1 157.257 1.363 10 30 ADEEMO CC[C@H](C)C[N@@H+](C)CC/C(N)=N/O 37173309 572103718 /nfs/dbraw/zinc/10/37/18/572103718.db2.gz FUQZMZNUICPPDL-QMMMGPOBSA-N 1 1 187.287 1.101 10 30 ADEEMO C#C[C@H](CC)[NH2+][C@H](C)CC#N 234048241 572104486 /nfs/dbraw/zinc/10/44/86/572104486.db2.gz SKMDWMQYSWCKQJ-RKDXNWHRSA-N 1 1 150.225 1.290 10 30 ADEEMO C[C@H](NCCC#N)[C@H]1CCC[N@@H+](C)C1 37221667 572107076 /nfs/dbraw/zinc/10/70/76/572107076.db2.gz HMJRAHRYJCRNFK-QWRGUYRKSA-N 1 1 195.310 1.220 10 30 ADEEMO C[C@H](NCCC#N)[C@@H]1CCC[N@@H+](C)C1 37221665 572109406 /nfs/dbraw/zinc/10/94/06/572109406.db2.gz HMJRAHRYJCRNFK-WDEREUQCSA-N 1 1 195.310 1.220 10 30 ADEEMO C=CCN(CC=C)CCC(C)(C)[NH3+] 82772802 572109458 /nfs/dbraw/zinc/10/94/58/572109458.db2.gz JBYDTSAGOIQQEP-UHFFFAOYSA-N 1 1 182.311 1.788 10 30 ADEEMO CCC[N@@H+](C)CC(C)(C)C=O 17669924 572110724 /nfs/dbraw/zinc/11/07/24/572110724.db2.gz FGGKCRALWTVQBI-UHFFFAOYSA-N 1 1 157.257 1.553 10 30 ADEEMO C#CC(C)(C)[NH2+][C@H](C)CC#N 17672427 572112198 /nfs/dbraw/zinc/11/21/98/572112198.db2.gz HKJSTOGVMYLIPT-MRVPVSSYSA-N 1 1 150.225 1.290 10 30 ADEEMO C=C[C@@H](C)ONCCn1cc[nH+]c1C 400939331 572112598 /nfs/dbraw/zinc/11/25/98/572112598.db2.gz PFGJHXREBXQGBS-SECBINFHSA-N 1 1 195.266 1.287 10 30 ADEEMO C[C@H](C[C@@](C)([NH3+])C#N)OCC1CC1 82795988 572112710 /nfs/dbraw/zinc/11/27/10/572112710.db2.gz OINFKURBVZTZKC-PSASIEDQSA-N 1 1 182.267 1.433 10 30 ADEEMO CCCCO[C@@H](C)C[C@@](C)([NH3+])C#N 82796396 572112758 /nfs/dbraw/zinc/11/27/58/572112758.db2.gz YKHAURZSILXDPO-VHSXEESVSA-N 1 1 184.283 1.823 10 30 ADEEMO CN[C@@](C)(C#N)C[C@H](C)[N@@H+](C)C1CC1 82794208 572112765 /nfs/dbraw/zinc/11/27/65/572112765.db2.gz FKYGLVURZQZITI-GXSJLCMTSA-N 1 1 195.310 1.361 10 30 ADEEMO CCCC[N@@H+](C)[C@@H](C)C[C@](C)(N)C#N 82793244 572112779 /nfs/dbraw/zinc/11/27/79/572112779.db2.gz XPJORJCQPONEQF-QWRGUYRKSA-N 1 1 197.326 1.738 10 30 ADEEMO CCCCO[C@H](C)C[C@@](C)([NH3+])C#N 82796399 572112785 /nfs/dbraw/zinc/11/27/85/572112785.db2.gz YKHAURZSILXDPO-NXEZZACHSA-N 1 1 184.283 1.823 10 30 ADEEMO C[C@@H](C[C@@](C)([NH3+])C#N)OC(C)(C)C 82795559 572112814 /nfs/dbraw/zinc/11/28/14/572112814.db2.gz QGUBAZOMCABLGP-WCBMZHEXSA-N 1 1 184.283 1.821 10 30 ADEEMO C[C@H](C[C@@](C)(N)C#N)[N@@H+](C)C1CC1 82794188 572112988 /nfs/dbraw/zinc/11/29/88/572112988.db2.gz XVDXFIBFWBFUOJ-PSASIEDQSA-N 1 1 181.283 1.100 10 30 ADEEMO C[C@H](C[C@](C)([NH3+])C#N)OC(C)(C)C 82795557 572112873 /nfs/dbraw/zinc/11/28/73/572112873.db2.gz QGUBAZOMCABLGP-SCZZXKLOSA-N 1 1 184.283 1.821 10 30 ADEEMO CCN[C@](C)(C#N)C[C@@H](C)[N@@H+](C)CC 82794158 572112956 /nfs/dbraw/zinc/11/29/56/572112956.db2.gz NAEUGGKHZJYIEH-MNOVXSKESA-N 1 1 197.326 1.608 10 30 ADEEMO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)CC(C)=O 82792462 572113094 /nfs/dbraw/zinc/11/30/94/572113094.db2.gz TYSVRHCSDVXIGM-UWVGGRQHSA-N 1 1 196.294 1.836 10 30 ADEEMO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)CC(C)=O 82792462 572113096 /nfs/dbraw/zinc/11/30/96/572113096.db2.gz TYSVRHCSDVXIGM-UWVGGRQHSA-N 1 1 196.294 1.836 10 30 ADEEMO CC[N@@H+](C)[C@H](C)C[C@@](C)(C#N)NC 82794167 572113059 /nfs/dbraw/zinc/11/30/59/572113059.db2.gz INLQZYFZZBRHAM-ZJUUUORDSA-N 1 1 183.299 1.218 10 30 ADEEMO CC(C)CO[C@H](C)C[C@](C)([NH3+])C#N 82795804 572113106 /nfs/dbraw/zinc/11/31/06/572113106.db2.gz GHNXEOFBBZACHR-ZJUUUORDSA-N 1 1 184.283 1.679 10 30 ADEEMO CCC[N@@H+](CC)[C@@H](C)C[C@](C)(N)C#N 82794345 572113158 /nfs/dbraw/zinc/11/31/58/572113158.db2.gz GDVIAQKNUIHZDR-QWRGUYRKSA-N 1 1 197.326 1.738 10 30 ADEEMO CN[C@@](C)(C#N)C[C@@H](C)[N@@H+](C)C1CC1 82794209 572113164 /nfs/dbraw/zinc/11/31/64/572113164.db2.gz FKYGLVURZQZITI-MWLCHTKSSA-N 1 1 195.310 1.361 10 30 ADEEMO C[C@H](C[C@@](C)([NH3+])C#N)OC(C)(C)C 82795561 572113191 /nfs/dbraw/zinc/11/31/91/572113191.db2.gz QGUBAZOMCABLGP-PSASIEDQSA-N 1 1 184.283 1.821 10 30 ADEEMO C#C[C@@H]([NH2+][C@@H](C)CC#N)C(C)C 300943902 572114873 /nfs/dbraw/zinc/11/48/73/572114873.db2.gz PAKLOLIUAPBNMO-VHSXEESVSA-N 1 1 164.252 1.536 10 30 ADEEMO CCC[N@@H+](C)[C@H](C)C[C@](C)(N)C#N 82794125 572113341 /nfs/dbraw/zinc/11/33/41/572113341.db2.gz HFYKZJRSUQENPQ-ZJUUUORDSA-N 1 1 183.299 1.348 10 30 ADEEMO CC(=O)C[C@@H](C)[N@@H+](CCC#N)C(C)C 82792468 572113446 /nfs/dbraw/zinc/11/34/46/572113446.db2.gz WFCDNCMEOPQNEM-SNVBAGLBSA-N 1 1 196.294 1.978 10 30 ADEEMO CC(=O)C[C@@H](C)[N@H+](CCC#N)C(C)C 82792468 572113448 /nfs/dbraw/zinc/11/34/48/572113448.db2.gz WFCDNCMEOPQNEM-SNVBAGLBSA-N 1 1 196.294 1.978 10 30 ADEEMO C[C@@H](C[C@](C)([NH3+])C#N)OC(C)(C)C 82795555 572113637 /nfs/dbraw/zinc/11/36/37/572113637.db2.gz QGUBAZOMCABLGP-WPRPVWTQSA-N 1 1 184.283 1.821 10 30 ADEEMO C[C@H](C[C@](C)([NH3+])C#N)OCC1CC1 82795985 572113658 /nfs/dbraw/zinc/11/36/58/572113658.db2.gz OINFKURBVZTZKC-SCZZXKLOSA-N 1 1 182.267 1.433 10 30 ADEEMO CC(=O)C[C@H](C)[N@@H+](C)C[C@@H](C)C#N 82792292 572113668 /nfs/dbraw/zinc/11/36/68/572113668.db2.gz AKXBNXFDULNEEU-IUCAKERBSA-N 1 1 182.267 1.445 10 30 ADEEMO CC(=O)C[C@H](C)[N@H+](C)C[C@@H](C)C#N 82792292 572113670 /nfs/dbraw/zinc/11/36/70/572113670.db2.gz AKXBNXFDULNEEU-IUCAKERBSA-N 1 1 182.267 1.445 10 30 ADEEMO CN[C@](C)(C#N)C[C@@H](C)[N@@H+](C)C1CC1 82794206 572113687 /nfs/dbraw/zinc/11/36/87/572113687.db2.gz FKYGLVURZQZITI-KOLCDFICSA-N 1 1 195.310 1.361 10 30 ADEEMO CC(C)C[N@@H+](C)[C@H](C)C[C@](C)(N)C#N 82794047 572113765 /nfs/dbraw/zinc/11/37/65/572113765.db2.gz LSMFAZWYLMLQCJ-MNOVXSKESA-N 1 1 197.326 1.594 10 30 ADEEMO C[C@H](C[C@](C)(N)C#N)[N@@H+](C)C1CC1 82794184 572113788 /nfs/dbraw/zinc/11/37/88/572113788.db2.gz XVDXFIBFWBFUOJ-SCZZXKLOSA-N 1 1 181.283 1.100 10 30 ADEEMO CC(C)CO[C@@H](C)C[C@@](C)([NH3+])C#N 82795806 572113809 /nfs/dbraw/zinc/11/38/09/572113809.db2.gz GHNXEOFBBZACHR-VHSXEESVSA-N 1 1 184.283 1.679 10 30 ADEEMO CC[N@H+](CCC#N)[C@H](C)CC(C)=O 82792363 572114715 /nfs/dbraw/zinc/11/47/15/572114715.db2.gz HQOXXOHRHYDYNB-SECBINFHSA-N 1 1 182.267 1.590 10 30 ADEEMO CC(=O)C[C@@H](C)[N@@H+](C)C[C@@H](C)C#N 82792294 572113825 /nfs/dbraw/zinc/11/38/25/572113825.db2.gz AKXBNXFDULNEEU-DTWKUNHWSA-N 1 1 182.267 1.445 10 30 ADEEMO CC(=O)C[C@@H](C)[N@H+](C)C[C@@H](C)C#N 82792294 572113828 /nfs/dbraw/zinc/11/38/28/572113828.db2.gz AKXBNXFDULNEEU-DTWKUNHWSA-N 1 1 182.267 1.445 10 30 ADEEMO CCC[N@@H+](C)[C@@H](C)C[C@@](C)(C#N)NC 82794132 572113858 /nfs/dbraw/zinc/11/38/58/572113858.db2.gz COCYJSOQLNHAEY-QWRGUYRKSA-N 1 1 197.326 1.608 10 30 ADEEMO CC(=O)C[C@H](C)[N@@H+](CCC#N)C(C)C 82792466 572113877 /nfs/dbraw/zinc/11/38/77/572113877.db2.gz WFCDNCMEOPQNEM-JTQLQIEISA-N 1 1 196.294 1.978 10 30 ADEEMO CC(=O)C[C@H](C)[N@H+](CCC#N)C(C)C 82792466 572113879 /nfs/dbraw/zinc/11/38/79/572113879.db2.gz WFCDNCMEOPQNEM-JTQLQIEISA-N 1 1 196.294 1.978 10 30 ADEEMO CC[N@@H+](CCC#N)[C@H](C)CC(C)=O 82792363 572114717 /nfs/dbraw/zinc/11/47/17/572114717.db2.gz HQOXXOHRHYDYNB-SECBINFHSA-N 1 1 182.267 1.590 10 30 ADEEMO CN[C@](C)(C#N)C[C@H](C)[N@@H+](C)C1CC1 82794204 572113913 /nfs/dbraw/zinc/11/39/13/572113913.db2.gz FKYGLVURZQZITI-ONGXEEELSA-N 1 1 195.310 1.361 10 30 ADEEMO CCCO[C@H](C)C[C@](C)([NH3+])C#N 82796342 572113962 /nfs/dbraw/zinc/11/39/62/572113962.db2.gz MINHPUTXTGJSIK-BDAKNGLRSA-N 1 1 170.256 1.433 10 30 ADEEMO C#C[C@@H]([NH2+][C@H](C)CC#N)C(C)C 300943900 572114003 /nfs/dbraw/zinc/11/40/03/572114003.db2.gz PAKLOLIUAPBNMO-NXEZZACHSA-N 1 1 164.252 1.536 10 30 ADEEMO CC[N@@H+](C(C)C)[C@H](C)C[C@](C)(N)C#N 82794233 572114010 /nfs/dbraw/zinc/11/40/10/572114010.db2.gz IRUCZCNRFZQNSK-MNOVXSKESA-N 1 1 197.326 1.736 10 30 ADEEMO CC[N@H+](CCC#N)[C@@H](C)CC(C)=O 82792361 572114049 /nfs/dbraw/zinc/11/40/49/572114049.db2.gz HQOXXOHRHYDYNB-VIFPVBQESA-N 1 1 182.267 1.590 10 30 ADEEMO CC[N@@H+](CCC#N)[C@@H](C)CC(C)=O 82792361 572114051 /nfs/dbraw/zinc/11/40/51/572114051.db2.gz HQOXXOHRHYDYNB-VIFPVBQESA-N 1 1 182.267 1.590 10 30 ADEEMO C[C@@H](C[C@@](C)(N)C#N)[N@@H+](C)C1CC1 82794186 572114060 /nfs/dbraw/zinc/11/40/60/572114060.db2.gz XVDXFIBFWBFUOJ-WCBMZHEXSA-N 1 1 181.283 1.100 10 30 ADEEMO CC[N@@H+](C)[C@@H](C)C[C@@](C)(C#N)NC 82794166 572114726 /nfs/dbraw/zinc/11/47/26/572114726.db2.gz INLQZYFZZBRHAM-UWVGGRQHSA-N 1 1 183.299 1.218 10 30 ADEEMO C[C@@H](C[C@](C)([NH3+])C#N)OCC1CC1 82795983 572114148 /nfs/dbraw/zinc/11/41/48/572114148.db2.gz OINFKURBVZTZKC-WPRPVWTQSA-N 1 1 182.267 1.433 10 30 ADEEMO CCCCO[C@H](C)C[C@](C)([NH3+])C#N 82796394 572114220 /nfs/dbraw/zinc/11/42/20/572114220.db2.gz YKHAURZSILXDPO-ZJUUUORDSA-N 1 1 184.283 1.823 10 30 ADEEMO CCC[N@@H+](C)[C@H](C)C[C@@](C)(C#N)NC 82794134 572114296 /nfs/dbraw/zinc/11/42/96/572114296.db2.gz COCYJSOQLNHAEY-MNOVXSKESA-N 1 1 197.326 1.608 10 30 ADEEMO CC[N@H+](C1CC1)[C@@H](C)C[C@](C)(N)C#N 82794317 572114313 /nfs/dbraw/zinc/11/43/13/572114313.db2.gz NIXSJVLWWUEJRK-ONGXEEELSA-N 1 1 195.310 1.490 10 30 ADEEMO CC[N@H+](C1CC1)[C@H](C)C[C@](C)(N)C#N 82794319 572114406 /nfs/dbraw/zinc/11/44/06/572114406.db2.gz NIXSJVLWWUEJRK-KOLCDFICSA-N 1 1 195.310 1.490 10 30 ADEEMO C[C@@H](C[C@@](C)(N)C#N)[N@@H+](C)CC1CC1 82794616 572114436 /nfs/dbraw/zinc/11/44/36/572114436.db2.gz JTDNXXKMMHYEMJ-GXSJLCMTSA-N 1 1 195.310 1.348 10 30 ADEEMO CCN[C@](C)(C#N)C[C@H](C)[N@@H+](C)CC 82794161 572114475 /nfs/dbraw/zinc/11/44/75/572114475.db2.gz NAEUGGKHZJYIEH-QWRGUYRKSA-N 1 1 197.326 1.608 10 30 ADEEMO CC(=O)C[C@H](C)[N@@H+](C)[C@H](C)CC#N 82792688 572114519 /nfs/dbraw/zinc/11/45/19/572114519.db2.gz FSFWREZEZHPCLK-BDAKNGLRSA-N 1 1 182.267 1.588 10 30 ADEEMO CC(=O)C[C@H](C)[N@H+](C)[C@H](C)CC#N 82792688 572114520 /nfs/dbraw/zinc/11/45/20/572114520.db2.gz FSFWREZEZHPCLK-BDAKNGLRSA-N 1 1 182.267 1.588 10 30 ADEEMO CC[N@H+](C[C@H](C)C#N)[C@@H](C)CC(C)=O 82792464 572114577 /nfs/dbraw/zinc/11/45/77/572114577.db2.gz TYSVRHCSDVXIGM-ZJUUUORDSA-N 1 1 196.294 1.836 10 30 ADEEMO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)CC(C)=O 82792464 572114581 /nfs/dbraw/zinc/11/45/81/572114581.db2.gz TYSVRHCSDVXIGM-ZJUUUORDSA-N 1 1 196.294 1.836 10 30 ADEEMO C[C@H](C[C@@](C)([NH3+])C#N)OC1CCC1 82796747 572114593 /nfs/dbraw/zinc/11/45/93/572114593.db2.gz NECMWVKRVXXNMI-PSASIEDQSA-N 1 1 182.267 1.575 10 30 ADEEMO CCCCO[C@@H](C)C[C@](C)([NH3+])C#N 82796391 572114630 /nfs/dbraw/zinc/11/46/30/572114630.db2.gz YKHAURZSILXDPO-UWVGGRQHSA-N 1 1 184.283 1.823 10 30 ADEEMO CC[C@H](C)[N@@H+](C)[C@@H](C)C[C@](C)(N)C#N 82794065 572114697 /nfs/dbraw/zinc/11/46/97/572114697.db2.gz VPRNIWDFJAEJIN-DCAQKATOSA-N 1 1 197.326 1.736 10 30 ADEEMO CN[C@](C)(C#N)C[C@H](C)[N@@H+](C)C(C)C 82793805 572114825 /nfs/dbraw/zinc/11/48/25/572114825.db2.gz QEJJYQLIJYVUBQ-QWRGUYRKSA-N 1 1 197.326 1.607 10 30 ADEEMO CCCC[N@@H+](C)[C@H](C)C[C@](C)(N)C#N 82793246 572114837 /nfs/dbraw/zinc/11/48/37/572114837.db2.gz XPJORJCQPONEQF-MNOVXSKESA-N 1 1 197.326 1.738 10 30 ADEEMO CCC[N@@H+](CC)[C@H](C)C[C@](C)(N)C#N 82794347 572114845 /nfs/dbraw/zinc/11/48/45/572114845.db2.gz GDVIAQKNUIHZDR-MNOVXSKESA-N 1 1 197.326 1.738 10 30 ADEEMO CCCO[C@@H](C)C[C@](C)([NH3+])C#N 82796340 572114853 /nfs/dbraw/zinc/11/48/53/572114853.db2.gz MINHPUTXTGJSIK-IUCAKERBSA-N 1 1 170.256 1.433 10 30 ADEEMO C[C@@H](C[C@@](C)([NH3+])C#N)OC1CCC1 82796746 572114915 /nfs/dbraw/zinc/11/49/15/572114915.db2.gz NECMWVKRVXXNMI-WCBMZHEXSA-N 1 1 182.267 1.575 10 30 ADEEMO CC[N@@H+](C(C)C)[C@@H](C)C[C@](C)(N)C#N 82794231 572114946 /nfs/dbraw/zinc/11/49/46/572114946.db2.gz IRUCZCNRFZQNSK-QWRGUYRKSA-N 1 1 197.326 1.736 10 30 ADEEMO CC(C)[N@@H+](C)[C@H](C)C[C@](C)(N)C#N 82793796 572115071 /nfs/dbraw/zinc/11/50/71/572115071.db2.gz VMHXXNCXMHRBSG-ZJUUUORDSA-N 1 1 183.299 1.346 10 30 ADEEMO CC(C)CO[C@H](C)C[C@@](C)([NH3+])C#N 82795808 572115156 /nfs/dbraw/zinc/11/51/56/572115156.db2.gz GHNXEOFBBZACHR-NXEZZACHSA-N 1 1 184.283 1.679 10 30 ADEEMO C[C@@H](C[C@](C)(N)C#N)[N@@H+](C)C1CC1 82794181 572115161 /nfs/dbraw/zinc/11/51/61/572115161.db2.gz XVDXFIBFWBFUOJ-WPRPVWTQSA-N 1 1 181.283 1.100 10 30 ADEEMO C[C@H](C[C@@](C)(N)C#N)[N@@H+](C)CC1CC1 82794617 572115181 /nfs/dbraw/zinc/11/51/81/572115181.db2.gz JTDNXXKMMHYEMJ-MWLCHTKSSA-N 1 1 195.310 1.348 10 30 ADEEMO C[C@@H](C[C@](C)(N)C#N)[N@@H+](C)CC1CC1 82794612 572115192 /nfs/dbraw/zinc/11/51/92/572115192.db2.gz JTDNXXKMMHYEMJ-ONGXEEELSA-N 1 1 195.310 1.348 10 30 ADEEMO CN[C@](C)(C#N)C[C@@H](C)[N@@H+](C)C(C)C 82793806 572115201 /nfs/dbraw/zinc/11/52/01/572115201.db2.gz QEJJYQLIJYVUBQ-MNOVXSKESA-N 1 1 197.326 1.607 10 30 ADEEMO CCN[C@@](C)(C#N)C[C@@H](C)[N@@H+](C)CC 82794160 572115215 /nfs/dbraw/zinc/11/52/15/572115215.db2.gz NAEUGGKHZJYIEH-GHMZBOCLSA-N 1 1 197.326 1.608 10 30 ADEEMO CCN[C@@](C)(C#N)C[C@H](C)[N@@H+](C)CC 82794165 572115272 /nfs/dbraw/zinc/11/52/72/572115272.db2.gz NAEUGGKHZJYIEH-WDEREUQCSA-N 1 1 197.326 1.608 10 30 ADEEMO C[C@@H](C[C@](C)([NH3+])C#N)OC1CCC1 82796744 572115352 /nfs/dbraw/zinc/11/53/52/572115352.db2.gz NECMWVKRVXXNMI-WPRPVWTQSA-N 1 1 182.267 1.575 10 30 ADEEMO C[C@H](C[C@](C)([NH3+])C#N)OC1CCC1 82796745 572115431 /nfs/dbraw/zinc/11/54/31/572115431.db2.gz NECMWVKRVXXNMI-SCZZXKLOSA-N 1 1 182.267 1.575 10 30 ADEEMO C=CCN[C@]1(C[NH3+])C[C@@H](C)[C@H]1C 393339761 572117311 /nfs/dbraw/zinc/11/73/11/572117311.db2.gz WBYJZYWMUACUFY-BBBLOLIVSA-N 1 1 168.284 1.135 10 30 ADEEMO C=CCN[C@]1(C[NH3+])C[C@H](C)[C@@H]1C 393339763 572117341 /nfs/dbraw/zinc/11/73/41/572117341.db2.gz WBYJZYWMUACUFY-GUBZILKMSA-N 1 1 168.284 1.135 10 30 ADEEMO C=CCN[C@]1(C[NH3+])C[C@H](C)[C@H]1C 393339759 572117522 /nfs/dbraw/zinc/11/75/22/572117522.db2.gz WBYJZYWMUACUFY-AEJSXWLSSA-N 1 1 168.284 1.135 10 30 ADEEMO C=C[C@@H](C(=O)OC)[N@H+](CCC)C(C)C 300945718 572117667 /nfs/dbraw/zinc/11/76/67/572117667.db2.gz FELTWQYXKYGTIE-JTQLQIEISA-N 1 1 199.294 1.834 10 30 ADEEMO C=CCN[C@]1(C[NH3+])C[C@@H](C)[C@@H]1C 393339764 572117610 /nfs/dbraw/zinc/11/76/10/572117610.db2.gz WBYJZYWMUACUFY-UTLUCORTSA-N 1 1 168.284 1.135 10 30 ADEEMO C=C[C@@H](C(=O)OC)[N@@H+](CCC)C(C)C 300945718 572117673 /nfs/dbraw/zinc/11/76/73/572117673.db2.gz FELTWQYXKYGTIE-JTQLQIEISA-N 1 1 199.294 1.834 10 30 ADEEMO C=C(C)C[N@H+](C)CC 144694344 572117870 /nfs/dbraw/zinc/11/78/70/572117870.db2.gz FDBRUHQKZFYGKR-UHFFFAOYSA-N 1 1 113.204 1.514 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@H+](CCC)C(C)C 300945724 572118524 /nfs/dbraw/zinc/11/85/24/572118524.db2.gz FELTWQYXKYGTIE-SNVBAGLBSA-N 1 1 199.294 1.834 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@@H+](CCC)C(C)C 300945724 572118525 /nfs/dbraw/zinc/11/85/25/572118525.db2.gz FELTWQYXKYGTIE-SNVBAGLBSA-N 1 1 199.294 1.834 10 30 ADEEMO CCCO[C@H](C)C[C@@](C)([NH3+])C#N 82802890 572120775 /nfs/dbraw/zinc/12/07/75/572120775.db2.gz MINHPUTXTGJSIK-RKDXNWHRSA-N 1 1 170.256 1.433 10 30 ADEEMO CCCO[C@@H](C)C[C@@](C)([NH3+])C#N 82802889 572121071 /nfs/dbraw/zinc/12/10/71/572121071.db2.gz MINHPUTXTGJSIK-DTWKUNHWSA-N 1 1 170.256 1.433 10 30 ADEEMO C=C[C@H]([NH2+]CC)c1cc(OC)n(C)n1 300947318 572121724 /nfs/dbraw/zinc/12/17/24/572121724.db2.gz LCCDVKLBPOZWKR-QMMMGPOBSA-N 1 1 195.266 1.265 10 30 ADEEMO CC[N@H+]1C[C@@H](CC#N)N(C)CC[C@H]1C 250226645 572123786 /nfs/dbraw/zinc/12/37/86/572123786.db2.gz FNUJFJZOGVHZIR-GHMZBOCLSA-N 1 1 195.310 1.315 10 30 ADEEMO C=CCCCC(=O)[C@@H]1[NH2+]CCO[C@H]1C 393340725 572121817 /nfs/dbraw/zinc/12/18/17/572121817.db2.gz XHIAVWJARUUVCF-GXSJLCMTSA-N 1 1 197.278 1.289 10 30 ADEEMO C=C[C@@H]([NH2+]CC)c1cc(OC)n(C)n1 300947317 572121852 /nfs/dbraw/zinc/12/18/52/572121852.db2.gz LCCDVKLBPOZWKR-MRVPVSSYSA-N 1 1 195.266 1.265 10 30 ADEEMO C=C(CS)C[N@H+](C)[C@@H](CC)CO 393340681 572122504 /nfs/dbraw/zinc/12/25/04/572122504.db2.gz XDQSWJCZGQDWJJ-VIFPVBQESA-N 1 1 189.324 1.175 10 30 ADEEMO CC(C)C[N@@H+](CCC#N)[C@@H]1CCOC1 69622569 572122735 /nfs/dbraw/zinc/12/27/35/572122735.db2.gz AXNNIGCYOXVJRH-LLVKDONJSA-N 1 1 196.294 1.647 10 30 ADEEMO CC(C)C[N@@H+](CCC#N)[C@H]1CCOC1 69622571 572123030 /nfs/dbraw/zinc/12/30/30/572123030.db2.gz AXNNIGCYOXVJRH-NSHDSACASA-N 1 1 196.294 1.647 10 30 ADEEMO C=CCCCC(=O)[C@H]1[NH2+]CCO[C@@H]1C 393340727 572123288 /nfs/dbraw/zinc/12/32/88/572123288.db2.gz XHIAVWJARUUVCF-KOLCDFICSA-N 1 1 197.278 1.289 10 30 ADEEMO C[C@H]([NH3+])[C@@H]1CCCN(CCCC#N)C1 69627008 572125496 /nfs/dbraw/zinc/12/54/96/572125496.db2.gz YOLVTWDJGXJDRJ-WDEREUQCSA-N 1 1 195.310 1.349 10 30 ADEEMO C=CCCCC(=O)[C@H]1[NH2+]CCO[C@H]1C 393340730 572123611 /nfs/dbraw/zinc/12/36/11/572123611.db2.gz XHIAVWJARUUVCF-ONGXEEELSA-N 1 1 197.278 1.289 10 30 ADEEMO C=CCCCC(=O)[C@@H]1[NH2+]CCO[C@@H]1C 393340729 572123833 /nfs/dbraw/zinc/12/38/33/572123833.db2.gz XHIAVWJARUUVCF-MWLCHTKSSA-N 1 1 197.278 1.289 10 30 ADEEMO C[C@@H]([NH3+])[C@@H]1CCCN(CCCC#N)C1 69627011 572124899 /nfs/dbraw/zinc/12/48/99/572124899.db2.gz YOLVTWDJGXJDRJ-GHMZBOCLSA-N 1 1 195.310 1.349 10 30 ADEEMO C[C@@H]1C[NH+](CCCCC#N)C[C@@H](C)N1 69629091 572125271 /nfs/dbraw/zinc/12/52/71/572125271.db2.gz AKFZCTFCDVGJOD-GHMZBOCLSA-N 1 1 195.310 1.362 10 30 ADEEMO C[C@H]([NH3+])[C@H]1CCCN(CCCC#N)C1 69627012 572125384 /nfs/dbraw/zinc/12/53/84/572125384.db2.gz YOLVTWDJGXJDRJ-QWRGUYRKSA-N 1 1 195.310 1.349 10 30 ADEEMO C[C@H]1C[N@H+](CCCCC#N)C[C@@H](C)N1 69629087 572125839 /nfs/dbraw/zinc/12/58/39/572125839.db2.gz AKFZCTFCDVGJOD-PHIMTYICSA-N 1 1 195.310 1.362 10 30 ADEEMO C[C@H]1C[N@@H+](CCCCC#N)C[C@@H](C)N1 69629087 572125843 /nfs/dbraw/zinc/12/58/43/572125843.db2.gz AKFZCTFCDVGJOD-PHIMTYICSA-N 1 1 195.310 1.362 10 30 ADEEMO COCC1CC[NH+]([C@H](C)CC#N)CC1 69631682 572125956 /nfs/dbraw/zinc/12/59/56/572125956.db2.gz WZZCMXDUIMNXLJ-SNVBAGLBSA-N 1 1 196.294 1.647 10 30 ADEEMO COCC1CC[NH+]([C@@H](C)CC#N)CC1 69631680 572126835 /nfs/dbraw/zinc/12/68/35/572126835.db2.gz WZZCMXDUIMNXLJ-JTQLQIEISA-N 1 1 196.294 1.647 10 30 ADEEMO C[C@@H]([NH3+])[C@H]1CCCN(CCCC#N)C1 69627016 572127066 /nfs/dbraw/zinc/12/70/66/572127066.db2.gz YOLVTWDJGXJDRJ-MNOVXSKESA-N 1 1 195.310 1.349 10 30 ADEEMO COCC1CC[NH+](C[C@@H](C)C#N)CC1 69631694 572127216 /nfs/dbraw/zinc/12/72/16/572127216.db2.gz KGXFKFKMWKUHQP-JTQLQIEISA-N 1 1 196.294 1.504 10 30 ADEEMO CC[C@H](C)[N@@H+](C)CCN[C@H](C)CC#N 300357887 572130722 /nfs/dbraw/zinc/13/07/22/572130722.db2.gz UVGWIYZDXDNKAM-MNOVXSKESA-N 1 1 197.326 1.608 10 30 ADEEMO C=CCn1c[nH+]c([C@H](CC)OC)c1N 386153437 572132126 /nfs/dbraw/zinc/13/21/26/572132126.db2.gz SNKOFMFKZUOLLM-QMMMGPOBSA-N 1 1 195.266 1.749 10 30 ADEEMO C[C@H]1CC[C@]([NH3+])(C#N)C[C@@H]1C 82837997 572133015 /nfs/dbraw/zinc/13/30/15/572133015.db2.gz HSIVHQLUXOUPOE-XHNCKOQMSA-N 1 1 152.241 1.664 10 30 ADEEMO CC#CCN1CCCC[C@H]1CC[NH2+]C 69731267 572136618 /nfs/dbraw/zinc/13/66/18/572136618.db2.gz RIHKVIWPXGKRDA-LBPRGKRZSA-N 1 1 194.322 1.474 10 30 ADEEMO C#CC(C)(C)[NH2+]Cc1cccnc1C#N 69681052 572133675 /nfs/dbraw/zinc/13/36/75/572133675.db2.gz VDAACYNNFKZDPE-UHFFFAOYSA-N 1 1 199.257 1.455 10 30 ADEEMO C[C@H]1CC[C@@]([NH3+])(C#N)C[C@@H]1C 82838001 572133724 /nfs/dbraw/zinc/13/37/24/572133724.db2.gz HSIVHQLUXOUPOE-CIUDSAMLSA-N 1 1 152.241 1.664 10 30 ADEEMO C#CC(C)(C)[NH2+]Cc1nccn1CC 69679922 572133743 /nfs/dbraw/zinc/13/37/43/572133743.db2.gz DENKHZNJVMGLLB-UHFFFAOYSA-N 1 1 191.278 1.404 10 30 ADEEMO C[C@@H](CC#N)N1CCC[C@H](CC[NH3+])C1 69724135 572134640 /nfs/dbraw/zinc/13/46/40/572134640.db2.gz ZWVPTKSSUVZQES-WDEREUQCSA-N 1 1 195.310 1.349 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCCC[C@@H]1CC[NH3+] 69721270 572134663 /nfs/dbraw/zinc/13/46/63/572134663.db2.gz ZAMQBTLOYOPQKE-GHMZBOCLSA-N 1 1 182.311 1.764 10 30 ADEEMO C[C@H](CC#N)N1CCC(CC[NH3+])CC1 69729921 572134902 /nfs/dbraw/zinc/13/49/02/572134902.db2.gz ONMRJJGLXQPLHV-SNVBAGLBSA-N 1 1 195.310 1.349 10 30 ADEEMO C[C@@H](CC#N)N1CCC(CC[NH3+])CC1 69729919 572135177 /nfs/dbraw/zinc/13/51/77/572135177.db2.gz ONMRJJGLXQPLHV-JTQLQIEISA-N 1 1 195.310 1.349 10 30 ADEEMO C[C@H](CC#N)N1CCC[C@H](CC[NH3+])C1 69724136 572135378 /nfs/dbraw/zinc/13/53/78/572135378.db2.gz ZWVPTKSSUVZQES-GHMZBOCLSA-N 1 1 195.310 1.349 10 30 ADEEMO C#CCC[N@@H+]1CCCC[C@H]1CC[NH3+] 69720992 572135393 /nfs/dbraw/zinc/13/53/93/572135393.db2.gz UMSFYKWWOYNWSZ-NSHDSACASA-N 1 1 180.295 1.213 10 30 ADEEMO N#CCCCN1CCCC[C@@H]1CC[NH3+] 69721117 572135480 /nfs/dbraw/zinc/13/54/80/572135480.db2.gz LWPFSTIGZYFVRJ-LLVKDONJSA-N 1 1 195.310 1.493 10 30 ADEEMO C[C@H]1CC[C@H](C[NH3+])CN1CCCC#N 69729172 572135517 /nfs/dbraw/zinc/13/55/17/572135517.db2.gz QAGFCYQTADOQKK-WDEREUQCSA-N 1 1 195.310 1.349 10 30 ADEEMO C=CCN1CCCC[C@H]1CC[NH2+]C 69731172 572135937 /nfs/dbraw/zinc/13/59/37/572135937.db2.gz HWWYNSQKMSGKHK-NSHDSACASA-N 1 1 182.311 1.636 10 30 ADEEMO C[C@@H](C#N)CN1CCC(CC[NH3+])CC1 69729982 572137581 /nfs/dbraw/zinc/13/75/81/572137581.db2.gz KDRXJGQNCKJPPJ-JTQLQIEISA-N 1 1 195.310 1.207 10 30 ADEEMO C#CCC[N@@H+]1CCCC[C@@H]1CC[NH3+] 69720989 572136175 /nfs/dbraw/zinc/13/61/75/572136175.db2.gz UMSFYKWWOYNWSZ-LLVKDONJSA-N 1 1 180.295 1.213 10 30 ADEEMO CCC[C@H](C)[N@H+]1CCC[C@H]1/C(N)=N/O 300350975 572136294 /nfs/dbraw/zinc/13/62/94/572136294.db2.gz ZHHFHFYHYFTZHO-IUCAKERBSA-N 1 1 199.298 1.386 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCCC[C@@H]1CC[NH3+] 69721266 572136373 /nfs/dbraw/zinc/13/63/73/572136373.db2.gz ZAMQBTLOYOPQKE-WDEREUQCSA-N 1 1 182.311 1.764 10 30 ADEEMO C[C@H]1CC[C@@H](C[NH3+])CN1CCCC#N 69729176 572136575 /nfs/dbraw/zinc/13/65/75/572136575.db2.gz QAGFCYQTADOQKK-QWRGUYRKSA-N 1 1 195.310 1.349 10 30 ADEEMO C=CCN1CCCC[C@@H]1CC[NH2+]C 69731174 572136773 /nfs/dbraw/zinc/13/67/73/572136773.db2.gz HWWYNSQKMSGKHK-LLVKDONJSA-N 1 1 182.311 1.636 10 30 ADEEMO C=C(C)C[N@H+]1CCCC[C@@H]1CC[NH3+] 69721209 572136803 /nfs/dbraw/zinc/13/68/03/572136803.db2.gz UMHMZVQVMHICJO-LLVKDONJSA-N 1 1 182.311 1.766 10 30 ADEEMO C=C(C)C[N@H+]1CCCC[C@H]1CC[NH3+] 69721211 572136828 /nfs/dbraw/zinc/13/68/28/572136828.db2.gz UMHMZVQVMHICJO-NSHDSACASA-N 1 1 182.311 1.766 10 30 ADEEMO C[C@H](C#N)CN1CCC(CC[NH3+])CC1 69729979 572136852 /nfs/dbraw/zinc/13/68/52/572136852.db2.gz KDRXJGQNCKJPPJ-SNVBAGLBSA-N 1 1 195.310 1.207 10 30 ADEEMO C[C@@H]1CC[C@H](C[NH3+])CN1CCCC#N 69729170 572136964 /nfs/dbraw/zinc/13/69/64/572136964.db2.gz QAGFCYQTADOQKK-GHMZBOCLSA-N 1 1 195.310 1.349 10 30 ADEEMO C[C@H](C#N)CN1CCC[C@H](CC[NH3+])C1 69724380 572137065 /nfs/dbraw/zinc/13/70/65/572137065.db2.gz HNKRLWLEDUUOQJ-GHMZBOCLSA-N 1 1 195.310 1.207 10 30 ADEEMO C[C@@H]1CC[C@@H](C[NH3+])CN1CCCC#N 69729174 572137267 /nfs/dbraw/zinc/13/72/67/572137267.db2.gz QAGFCYQTADOQKK-MNOVXSKESA-N 1 1 195.310 1.349 10 30 ADEEMO CC#CCN1CCCC[C@@H]1CC[NH2+]C 69731265 572137593 /nfs/dbraw/zinc/13/75/93/572137593.db2.gz RIHKVIWPXGKRDA-GFCCVEGCSA-N 1 1 194.322 1.474 10 30 ADEEMO CCC[C@@H](C)[N@H+]1CCC[C@H]1/C(N)=N/O 300350974 572137813 /nfs/dbraw/zinc/13/78/13/572137813.db2.gz ZHHFHFYHYFTZHO-BDAKNGLRSA-N 1 1 199.298 1.386 10 30 ADEEMO C[C@@H](C#N)CN1CCC[C@H](CC[NH3+])C1 69724384 572138070 /nfs/dbraw/zinc/13/80/70/572138070.db2.gz HNKRLWLEDUUOQJ-WDEREUQCSA-N 1 1 195.310 1.207 10 30 ADEEMO CC[C@@H](C)[N@@H+](C)CCN[C@H](C)C#N 300368230 572138566 /nfs/dbraw/zinc/13/85/66/572138566.db2.gz PQPCEXNSAPYTKN-NXEZZACHSA-N 1 1 183.299 1.218 10 30 ADEEMO C#C[C@H](CC)NCC[N@@H+](C)[C@H](C)CC 300369386 572138672 /nfs/dbraw/zinc/13/86/72/572138672.db2.gz YHQKEBDLZFYHNV-VXGBXAGGSA-N 1 1 196.338 1.718 10 30 ADEEMO C#C[C@H](CC)NCC[N@H+](C)[C@H](C)CC 300369386 572138673 /nfs/dbraw/zinc/13/86/73/572138673.db2.gz YHQKEBDLZFYHNV-VXGBXAGGSA-N 1 1 196.338 1.718 10 30 ADEEMO C#C[C@@H](CC)NCC[N@@H+](C)[C@H](C)CC 300369385 572138679 /nfs/dbraw/zinc/13/86/79/572138679.db2.gz YHQKEBDLZFYHNV-NEPJUHHUSA-N 1 1 196.338 1.718 10 30 ADEEMO C#C[C@@H](CC)NCC[N@H+](C)[C@H](C)CC 300369385 572138683 /nfs/dbraw/zinc/13/86/83/572138683.db2.gz YHQKEBDLZFYHNV-NEPJUHHUSA-N 1 1 196.338 1.718 10 30 ADEEMO CC[C@H](C)[N@@H+](C)CCNC[C@H](C)C#N 300369276 572138716 /nfs/dbraw/zinc/13/87/16/572138716.db2.gz WLYNQSZAJLBMOZ-MNOVXSKESA-N 1 1 197.326 1.466 10 30 ADEEMO CC[C@@H](C#N)NCC[N@H+](C)[C@@H](C)CC 300368566 572138872 /nfs/dbraw/zinc/13/88/72/572138872.db2.gz RPSMCAPQQIYBIR-QWRGUYRKSA-N 1 1 197.326 1.608 10 30 ADEEMO C=C[C@H](C)NCC[N@@H+](C)[C@H](C)CC 300367058 572139012 /nfs/dbraw/zinc/13/90/12/572139012.db2.gz IHQLZNIPAJRUQY-WDEREUQCSA-N 1 1 184.327 1.881 10 30 ADEEMO C=C[C@H](C)NCC[N@H+](C)[C@H](C)CC 300367058 572139014 /nfs/dbraw/zinc/13/90/14/572139014.db2.gz IHQLZNIPAJRUQY-WDEREUQCSA-N 1 1 184.327 1.881 10 30 ADEEMO C=C[C@@H](C)NCC[N@@H+](C)[C@H](C)CC 300367056 572139117 /nfs/dbraw/zinc/13/91/17/572139117.db2.gz IHQLZNIPAJRUQY-GHMZBOCLSA-N 1 1 184.327 1.881 10 30 ADEEMO C=C[C@@H](C)NCC[N@H+](C)[C@H](C)CC 300367056 572139122 /nfs/dbraw/zinc/13/91/22/572139122.db2.gz IHQLZNIPAJRUQY-GHMZBOCLSA-N 1 1 184.327 1.881 10 30 ADEEMO C#C[C@@H](C)NCC[N@H+](C)[C@H](C)CC 300366418 572139639 /nfs/dbraw/zinc/13/96/39/572139639.db2.gz DRCQMFMXXGIJJK-GHMZBOCLSA-N 1 1 182.311 1.328 10 30 ADEEMO C#C[C@@H](C)[NH2+]CCN(C)[C@H](C)CC 300366418 572139645 /nfs/dbraw/zinc/13/96/45/572139645.db2.gz DRCQMFMXXGIJJK-GHMZBOCLSA-N 1 1 182.311 1.328 10 30 ADEEMO CC[C@@H](C#N)NCC[N@H+](C)[C@H](C)CC 300368563 572140576 /nfs/dbraw/zinc/14/05/76/572140576.db2.gz RPSMCAPQQIYBIR-MNOVXSKESA-N 1 1 197.326 1.608 10 30 ADEEMO C#C[C@H](C)NCC[N@H+](C)[C@H](C)CC 300366421 572140564 /nfs/dbraw/zinc/14/05/64/572140564.db2.gz DRCQMFMXXGIJJK-WDEREUQCSA-N 1 1 182.311 1.328 10 30 ADEEMO C#C[C@H](C)[NH2+]CCN(C)[C@H](C)CC 300366421 572140568 /nfs/dbraw/zinc/14/05/68/572140568.db2.gz DRCQMFMXXGIJJK-WDEREUQCSA-N 1 1 182.311 1.328 10 30 ADEEMO CC[C@H](C)[N@@H+](C)CCN[C@H](C)C#N 300368231 572140711 /nfs/dbraw/zinc/14/07/11/572140711.db2.gz PQPCEXNSAPYTKN-ZJUUUORDSA-N 1 1 183.299 1.218 10 30 ADEEMO C#C[C@H](CC)[N@@H+]1CCC(=O)[C@H](C)[C@H]1C 300399731 572142317 /nfs/dbraw/zinc/14/23/17/572142317.db2.gz VZJNIYSSIWIBAQ-GMTAPVOTSA-N 1 1 193.290 1.698 10 30 ADEEMO C#C[C@H](CC)[N@H+]1CCC(=O)[C@H](C)[C@H]1C 300399731 572142320 /nfs/dbraw/zinc/14/23/20/572142320.db2.gz VZJNIYSSIWIBAQ-GMTAPVOTSA-N 1 1 193.290 1.698 10 30 ADEEMO C#C[C@H](CCC)[N@H+]1CC[C@H]([NH3+])C[C@H]1C 300397347 572142837 /nfs/dbraw/zinc/14/28/37/572142837.db2.gz AZHMIXRVDRXDAT-GRYCIOLGSA-N 1 1 194.322 1.600 10 30 ADEEMO C#CCC[NH2+][C@H]1C[C@H](C)N(C)C[C@H]1C 69767898 572144306 /nfs/dbraw/zinc/14/43/06/572144306.db2.gz XCTINOASCVFVFH-WOPDTQHZSA-N 1 1 194.322 1.328 10 30 ADEEMO C#CCC[N@H+]1[C@H]2CCC[C@@H]1CC(=O)C2 69791356 572144610 /nfs/dbraw/zinc/14/46/10/572144610.db2.gz YKKUVTNSZYCILM-PHIMTYICSA-N 1 1 191.274 1.596 10 30 ADEEMO C#CCCN1CC[C@@H]([NH2+]CC)C[C@H]1C 69790748 572144679 /nfs/dbraw/zinc/14/46/79/572144679.db2.gz OKCXLYRMEFXUNL-VXGBXAGGSA-N 1 1 194.322 1.472 10 30 ADEEMO C#CCCN1CC[C@H]([NH2+]CC)[C@@H](C)C1 69790700 572144882 /nfs/dbraw/zinc/14/48/82/572144882.db2.gz BICLPUBNPOYNOF-RYUDHWBXSA-N 1 1 194.322 1.330 10 30 ADEEMO C#CCCN1[C@H]2CCC[C@@H]1CC([NH3+])C2 69791363 572144906 /nfs/dbraw/zinc/14/49/06/572144906.db2.gz KDSLQDVTEBSBNC-YOGCLGLASA-N 1 1 192.306 1.354 10 30 ADEEMO C#CCCN1CC[C@@H]([NH2+]CC)[C@@H](C)C1 69790699 572144918 /nfs/dbraw/zinc/14/49/18/572144918.db2.gz BICLPUBNPOYNOF-NWDGAFQWSA-N 1 1 194.322 1.330 10 30 ADEEMO C=CC[NH2+]CCN[C@H]1C[C@H]1CCC 300380702 572145960 /nfs/dbraw/zinc/14/59/60/572145960.db2.gz ISDUZKHAKXAZER-MNOVXSKESA-N 1 1 182.311 1.540 10 30 ADEEMO C=CCN(CC=C)CC[C@@H](C)[NH3+] 37476665 572147904 /nfs/dbraw/zinc/14/79/04/572147904.db2.gz STEONRCZTWKNFN-SNVBAGLBSA-N 1 1 168.284 1.398 10 30 ADEEMO C=CCN(CC=C)CC[C@H](C)[NH3+] 37476664 572148134 /nfs/dbraw/zinc/14/81/34/572148134.db2.gz STEONRCZTWKNFN-JTQLQIEISA-N 1 1 168.284 1.398 10 30 ADEEMO CO[C@H]1CCC[C@H]([N@@H+](C)CCC#N)C1 69848622 572150664 /nfs/dbraw/zinc/15/06/64/572150664.db2.gz SXFKLRZZIZUDPM-QWRGUYRKSA-N 1 1 196.294 1.789 10 30 ADEEMO CO[C@H]1CCC[C@@H]([N@@H+](C)CCC#N)C1 69848621 572152506 /nfs/dbraw/zinc/15/25/06/572152506.db2.gz SXFKLRZZIZUDPM-MNOVXSKESA-N 1 1 196.294 1.789 10 30 ADEEMO C[C@H]1C[C@@H](C)CC([NH3+])(C#N)C1 82849688 572153250 /nfs/dbraw/zinc/15/32/50/572153250.db2.gz UCALXWMHSCMMML-JVHMLUBASA-N 1 1 152.241 1.664 10 30 ADEEMO COC[C@H](C)[N@H+](CCC#N)C1CC1 69902009 572153689 /nfs/dbraw/zinc/15/36/89/572153689.db2.gz KVKOLNIXELDHDO-VIFPVBQESA-N 1 1 182.267 1.399 10 30 ADEEMO COC[C@H](C)[N@@H+](CCC#N)C1CC1 69902009 572153693 /nfs/dbraw/zinc/15/36/93/572153693.db2.gz KVKOLNIXELDHDO-VIFPVBQESA-N 1 1 182.267 1.399 10 30 ADEEMO COC[C@@H](C)[N@@H+](CCC#N)C(C)C 69902005 572154299 /nfs/dbraw/zinc/15/42/99/572154299.db2.gz DDPCKUYVCNVZAS-SNVBAGLBSA-N 1 1 184.283 1.645 10 30 ADEEMO C[C@H]1CC[C@@H](C)[C@]([NH3+])(C#N)C1 82860129 572154495 /nfs/dbraw/zinc/15/44/95/572154495.db2.gz PDNXHJIBUOTWNQ-DJLDLDEBSA-N 1 1 152.241 1.664 10 30 ADEEMO COC[C@@H](C)[N@H+](CCC#N)C1CC1 69902011 572154752 /nfs/dbraw/zinc/15/47/52/572154752.db2.gz KVKOLNIXELDHDO-SECBINFHSA-N 1 1 182.267 1.399 10 30 ADEEMO COC[C@@H](C)[N@@H+](CCC#N)C1CC1 69902011 572154755 /nfs/dbraw/zinc/15/47/55/572154755.db2.gz KVKOLNIXELDHDO-SECBINFHSA-N 1 1 182.267 1.399 10 30 ADEEMO COC[C@@H](C)[N@@H+](CCC#N)CC(C)C 69902015 572154882 /nfs/dbraw/zinc/15/48/82/572154882.db2.gz APNISQCTKNUQCO-LLVKDONJSA-N 1 1 198.310 1.893 10 30 ADEEMO C[C@H]1CCC[C@@]([NH3+])(C#N)[C@@H]1C 82860121 572154781 /nfs/dbraw/zinc/15/47/81/572154781.db2.gz GIBUDXZPGXQGSK-DJLDLDEBSA-N 1 1 152.241 1.664 10 30 ADEEMO C#CCCC[N@@H+]1CCN(C)C[C@H]1C 300356402 572155410 /nfs/dbraw/zinc/15/54/10/572155410.db2.gz LACZFKXTFKBZHP-LLVKDONJSA-N 1 1 180.295 1.036 10 30 ADEEMO COC[C@H](C)[N@@H+](CCC#N)CC(C)C 69902013 572155052 /nfs/dbraw/zinc/15/50/52/572155052.db2.gz APNISQCTKNUQCO-NSHDSACASA-N 1 1 198.310 1.893 10 30 ADEEMO N#C[C@@H]1C[C@@H]2CCC[C@@H]2[NH2+]1 18425644 572155516 /nfs/dbraw/zinc/15/55/16/572155516.db2.gz ZYWCCQZJLJTZIP-FXQIFTODSA-N 1 1 136.198 1.041 10 30 ADEEMO COC[C@H](C)[N@@H+](CCC#N)C(C)C 69902003 572155633 /nfs/dbraw/zinc/15/56/33/572155633.db2.gz DDPCKUYVCNVZAS-JTQLQIEISA-N 1 1 184.283 1.645 10 30 ADEEMO C[C@H]1CC[C@H](C)[C@]([NH3+])(C#N)C1 82860127 572155670 /nfs/dbraw/zinc/15/56/70/572155670.db2.gz PDNXHJIBUOTWNQ-XHNCKOQMSA-N 1 1 152.241 1.664 10 30 ADEEMO C[C@H]1CCC[C@]([NH3+])(C#N)[C@@H]1C 82860119 572155960 /nfs/dbraw/zinc/15/59/60/572155960.db2.gz GIBUDXZPGXQGSK-YIZRAAEISA-N 1 1 152.241 1.664 10 30 ADEEMO C=C(C[N@@H+](C)CC)C(=O)OCC 69907525 572156677 /nfs/dbraw/zinc/15/66/77/572156677.db2.gz BEJHZBAJAXMUSE-UHFFFAOYSA-N 1 1 171.240 1.057 10 30 ADEEMO C=C(C[N@@H+](C)CC(C)C)C(=O)OCC 69907547 572156307 /nfs/dbraw/zinc/15/63/07/572156307.db2.gz QLVZAQQVBZORHZ-UHFFFAOYSA-N 1 1 199.294 1.694 10 30 ADEEMO N#C[C@@H]1C[C@H]2CCC[C@@H]2[NH2+]1 18425646 572156421 /nfs/dbraw/zinc/15/64/21/572156421.db2.gz ZYWCCQZJLJTZIP-CSMHCCOUSA-N 1 1 136.198 1.041 10 30 ADEEMO C=C(C[N@@H+](C)CC1CC1)C(=O)OCC 69907658 572156484 /nfs/dbraw/zinc/15/64/84/572156484.db2.gz VRUZDRACDOLJCP-UHFFFAOYSA-N 1 1 197.278 1.448 10 30 ADEEMO C=C(C[N@@H+](CC)C1CC1)C(=O)OCC 69907527 572156640 /nfs/dbraw/zinc/15/66/40/572156640.db2.gz YWHHQURJKNTDBU-UHFFFAOYSA-N 1 1 197.278 1.590 10 30 ADEEMO C=C(C[N@@H+](C)C(C)C)C(=O)OCC 69907475 572156605 /nfs/dbraw/zinc/15/66/05/572156605.db2.gz RBANIZFNBMBZME-UHFFFAOYSA-N 1 1 185.267 1.446 10 30 ADEEMO C=C(C[N@@H+](C)[C@@H](C)CC)C(=O)OCC 69907551 572157547 /nfs/dbraw/zinc/15/75/47/572157547.db2.gz OJYQGODBXHIOAZ-JTQLQIEISA-N 1 1 199.294 1.836 10 30 ADEEMO C=C(C[N@H+](C)CCC)C(=O)OCC 69907545 572157709 /nfs/dbraw/zinc/15/77/09/572157709.db2.gz MMQDKDHBMMCJMX-UHFFFAOYSA-N 1 1 185.267 1.448 10 30 ADEEMO C=C(C[N@H+]1CCC[C@H]1C)C(=O)OCC 69907652 572157731 /nfs/dbraw/zinc/15/77/31/572157731.db2.gz SNUVUGIKKIKXRZ-SNVBAGLBSA-N 1 1 197.278 1.590 10 30 ADEEMO C=C(C[N@@H+](CC)C(C)C)C(=O)OCC 69907531 572157756 /nfs/dbraw/zinc/15/77/56/572157756.db2.gz OZJZVVRMNMROMX-UHFFFAOYSA-N 1 1 199.294 1.836 10 30 ADEEMO C=C(C[N@H+]1CCC[C@@H]1C)C(=O)OCC 69907651 572157834 /nfs/dbraw/zinc/15/78/34/572157834.db2.gz SNUVUGIKKIKXRZ-JTQLQIEISA-N 1 1 197.278 1.590 10 30 ADEEMO C=C(C[N@H+](C)CCCC)C(=O)OCC 69907483 572157912 /nfs/dbraw/zinc/15/79/12/572157912.db2.gz VCVUXAMWGGETKL-UHFFFAOYSA-N 1 1 199.294 1.838 10 30 ADEEMO C=C(C[N@H+](CC)CCC)C(=O)OCC 69907539 572158537 /nfs/dbraw/zinc/15/85/37/572158537.db2.gz PJTOYYPJTGSNQF-UHFFFAOYSA-N 1 1 199.294 1.838 10 30 ADEEMO C=C(C[N@@H+](C)[C@H](C)CC)C(=O)OCC 69907550 572158579 /nfs/dbraw/zinc/15/85/79/572158579.db2.gz OJYQGODBXHIOAZ-SNVBAGLBSA-N 1 1 199.294 1.836 10 30 ADEEMO C=C(Cn1cc[nH+]c1C)C(=O)OCC 69907271 572158629 /nfs/dbraw/zinc/15/86/29/572158629.db2.gz ATUOPRLRLNCEIX-UHFFFAOYSA-N 1 1 194.234 1.311 10 30 ADEEMO COC[C@@H](C)[N@H+]1CCCC[C@@H]1C=O 69906278 572158649 /nfs/dbraw/zinc/15/86/49/572158649.db2.gz LXWCGGFQLZFEMH-NXEZZACHSA-N 1 1 185.267 1.075 10 30 ADEEMO CC[C@H](CC#N)NC[C@@H]1CC[N@@H+](C)C1 37484969 572158731 /nfs/dbraw/zinc/15/87/31/572158731.db2.gz FHIPLKGRVVCPQT-WDEREUQCSA-N 1 1 195.310 1.220 10 30 ADEEMO COC[C@H](C)[N@H+]1CCCC[C@@H]1C=O 69906277 572159004 /nfs/dbraw/zinc/15/90/04/572159004.db2.gz LXWCGGFQLZFEMH-VHSXEESVSA-N 1 1 185.267 1.075 10 30 ADEEMO C#C[C@H](CC)[N@@H+]1CCC(=O)[C@@H](C)[C@H]1C 300399732 572159871 /nfs/dbraw/zinc/15/98/71/572159871.db2.gz VZJNIYSSIWIBAQ-HBNTYKKESA-N 1 1 193.290 1.698 10 30 ADEEMO C#C[C@H](CC)[N@H+]1CCC(=O)[C@@H](C)[C@H]1C 300399732 572159873 /nfs/dbraw/zinc/15/98/73/572159873.db2.gz VZJNIYSSIWIBAQ-HBNTYKKESA-N 1 1 193.290 1.698 10 30 ADEEMO C=CC[NH2+]CCN[C@H]1C[C@H]1CC 300390985 572159957 /nfs/dbraw/zinc/15/99/57/572159957.db2.gz VCCVFJNAPPXNTG-ZJUUUORDSA-N 1 1 168.284 1.150 10 30 ADEEMO C#CC[NH2+]Cc1ccn([C@H](C)CC)n1 82867306 572160389 /nfs/dbraw/zinc/16/03/89/572160389.db2.gz LCAWIRYRKAXVQD-SNVBAGLBSA-N 1 1 191.278 1.577 10 30 ADEEMO C#CCCC[N@@H+]1CCC(=O)[C@@H](C)[C@H]1C 300397961 572161654 /nfs/dbraw/zinc/16/16/54/572161654.db2.gz GHHHTOHYRYGOJM-WDEREUQCSA-N 1 1 193.290 1.699 10 30 ADEEMO C#CCCn1cc[nH+]c1CCC 69963986 572162570 /nfs/dbraw/zinc/16/25/70/572162570.db2.gz GBZVNQDGGZNFQL-UHFFFAOYSA-N 1 1 162.236 1.859 10 30 ADEEMO C#CCNCC[N@@H+]1CCCCC[C@@H]1C 69945825 572162031 /nfs/dbraw/zinc/16/20/31/572162031.db2.gz JZIYWWTXUHXRSJ-LBPRGKRZSA-N 1 1 194.322 1.474 10 30 ADEEMO C#CC[NH2+]CCN1CCCCC[C@@H]1C 69945825 572162033 /nfs/dbraw/zinc/16/20/33/572162033.db2.gz JZIYWWTXUHXRSJ-LBPRGKRZSA-N 1 1 194.322 1.474 10 30 ADEEMO CCCc1[nH+]ccn1CC[C@H](N)C#N 69964513 572162075 /nfs/dbraw/zinc/16/20/75/572162075.db2.gz GETCFNRHWILATL-VIFPVBQESA-N 1 1 192.266 1.077 10 30 ADEEMO C#CCNCC[N@@H+]1CCCCC[C@H]1C 69945824 572162130 /nfs/dbraw/zinc/16/21/30/572162130.db2.gz JZIYWWTXUHXRSJ-GFCCVEGCSA-N 1 1 194.322 1.474 10 30 ADEEMO C#CC[NH2+]CCN1CCCCC[C@H]1C 69945824 572162132 /nfs/dbraw/zinc/16/21/32/572162132.db2.gz JZIYWWTXUHXRSJ-GFCCVEGCSA-N 1 1 194.322 1.474 10 30 ADEEMO CCCc1[nH+]ccn1[C@@H](C)/C(N)=N/O 69964193 572162228 /nfs/dbraw/zinc/16/22/28/572162228.db2.gz XXXDQBNXLPSLKP-ZETCQYMHSA-N 1 1 196.254 1.143 10 30 ADEEMO C[C@@H]1[C@@H](C#N)CC[N@H+]1C1CC1 18566271 572162256 /nfs/dbraw/zinc/16/22/56/572162256.db2.gz KMRCYIWZXCSZPP-HTQZYQBOSA-N 1 1 150.225 1.383 10 30 ADEEMO CCCc1[nH+]ccn1[C@H](C)/C(N)=N/O 69964195 572162607 /nfs/dbraw/zinc/16/26/07/572162607.db2.gz XXXDQBNXLPSLKP-SSDOTTSWSA-N 1 1 196.254 1.143 10 30 ADEEMO CCCc1[nH+]ccn1C[C@H]1CO1 69963865 572162672 /nfs/dbraw/zinc/16/26/72/572162672.db2.gz UBRUTFHWVZJIHA-QMMMGPOBSA-N 1 1 166.224 1.234 10 30 ADEEMO CCCc1[nH+]ccn1C[C@](C)(N)C#N 69964532 572162706 /nfs/dbraw/zinc/16/27/06/572162706.db2.gz RPOWKDWSOLTJQF-SNVBAGLBSA-N 1 1 192.266 1.077 10 30 ADEEMO C[C@H]1[C@@H](C#N)CC[N@H+]1C1CC1 18566272 572163494 /nfs/dbraw/zinc/16/34/94/572163494.db2.gz KMRCYIWZXCSZPP-JGVFFNPUSA-N 1 1 150.225 1.383 10 30 ADEEMO CCCc1[nH+]ccn1CC[C@@H](N)C#N 69964515 572163012 /nfs/dbraw/zinc/16/30/12/572163012.db2.gz GETCFNRHWILATL-SECBINFHSA-N 1 1 192.266 1.077 10 30 ADEEMO CCCc1[nH+]ccn1CCC=O 69964250 572163317 /nfs/dbraw/zinc/16/33/17/572163317.db2.gz LSXSUYGXWLRVMD-UHFFFAOYSA-N 1 1 166.224 1.425 10 30 ADEEMO CCCc1[nH+]ccn1C[C@H](C)C#N 69964061 572163658 /nfs/dbraw/zinc/16/36/58/572163658.db2.gz UEVSSJAQXHXISE-SECBINFHSA-N 1 1 177.251 1.995 10 30 ADEEMO C[C@H]1[C@H](C#N)CC[N@H+]1C1CC1 18566274 572164410 /nfs/dbraw/zinc/16/44/10/572164410.db2.gz KMRCYIWZXCSZPP-YUMQZZPRSA-N 1 1 150.225 1.383 10 30 ADEEMO CC[NH2+]C[C@@H](C#N)C(F)(F)F 18685432 572167632 /nfs/dbraw/zinc/16/76/32/572167632.db2.gz GARBLQBVXTUPSV-RXMQYKEDSA-N 1 1 166.146 1.298 10 30 ADEEMO CCCc1[nH+]ccn1C[C@@H](C)C#N 69964060 572165066 /nfs/dbraw/zinc/16/50/66/572165066.db2.gz UEVSSJAQXHXISE-VIFPVBQESA-N 1 1 177.251 1.995 10 30 ADEEMO C#C[C@H](CC)N[C@H](C)C[C@H]1CCC[NH2+]1 300397608 572166547 /nfs/dbraw/zinc/16/65/47/572166547.db2.gz CSUHAVFLGRUNME-IJLUTSLNSA-N 1 1 194.322 1.518 10 30 ADEEMO C#C[C@H](CCC)N[C@@H](C[NH3+])[C@H](C)CC 300397560 572166642 /nfs/dbraw/zinc/16/66/42/572166642.db2.gz CHCYUGYJFSPEOY-UTUOFQBUSA-N 1 1 196.338 1.751 10 30 ADEEMO C#C[C@H](CC)N[C@@H](C)C[C@H]1CCC[NH2+]1 300397610 572166974 /nfs/dbraw/zinc/16/69/74/572166974.db2.gz CSUHAVFLGRUNME-QJPTWQEYSA-N 1 1 194.322 1.518 10 30 ADEEMO CC[NH2+]C[C@H](C#N)C(F)(F)F 18685434 572167125 /nfs/dbraw/zinc/16/71/25/572167125.db2.gz GARBLQBVXTUPSV-YFKPBYRVSA-N 1 1 166.146 1.298 10 30 ADEEMO C#C[C@H](CCC)N[C@H](C[NH3+])[C@H](C)CC 300397558 572167231 /nfs/dbraw/zinc/16/72/31/572167231.db2.gz CHCYUGYJFSPEOY-IJLUTSLNSA-N 1 1 196.338 1.751 10 30 ADEEMO C#CCCC[NH2+][C@H]1CC[N@H+]2CC[C@H]1C2 300397899 572168203 /nfs/dbraw/zinc/16/82/03/572168203.db2.gz FXSJJILCGVJBPR-RYUDHWBXSA-N 1 1 192.306 1.084 10 30 ADEEMO C#CCCC[NH2+][C@H]1CCN2CC[C@H]1C2 300397899 572168205 /nfs/dbraw/zinc/16/82/05/572168205.db2.gz FXSJJILCGVJBPR-RYUDHWBXSA-N 1 1 192.306 1.084 10 30 ADEEMO C#CCCC[N@@H+]1C[C@@H](CC)NC[C@H]1C 300398122 572168222 /nfs/dbraw/zinc/16/82/22/572168222.db2.gz GVHCAQQEDIHZMP-VXGBXAGGSA-N 1 1 194.322 1.472 10 30 ADEEMO C#CCCCN1C[C@@H](CC)[NH2+]C[C@H]1C 300398122 572168223 /nfs/dbraw/zinc/16/82/23/572168223.db2.gz GVHCAQQEDIHZMP-VXGBXAGGSA-N 1 1 194.322 1.472 10 30 ADEEMO C#CCCCC[N@@H+]1C[C@H](C)NC[C@H]1C 300398318 572168493 /nfs/dbraw/zinc/16/84/93/572168493.db2.gz IZLMVKADQHHBEF-NWDGAFQWSA-N 1 1 194.322 1.472 10 30 ADEEMO C#CCCCCN1C[C@H](C)[NH2+]C[C@H]1C 300398318 572168495 /nfs/dbraw/zinc/16/84/95/572168495.db2.gz IZLMVKADQHHBEF-NWDGAFQWSA-N 1 1 194.322 1.472 10 30 ADEEMO Cc1cc(C[NH2+]C[C@H](C)C#N)c(C)[nH]1 393346564 572168562 /nfs/dbraw/zinc/16/85/62/572168562.db2.gz GBZVYBUFEWUDBL-MRVPVSSYSA-N 1 1 191.278 1.881 10 30 ADEEMO C#CCCCC[N@@H+]1C[C@@H](C)NC[C@H]1C 300398319 572168634 /nfs/dbraw/zinc/16/86/34/572168634.db2.gz IZLMVKADQHHBEF-VXGBXAGGSA-N 1 1 194.322 1.472 10 30 ADEEMO C#CCCCCN1C[C@@H](C)[NH2+]C[C@H]1C 300398319 572168637 /nfs/dbraw/zinc/16/86/37/572168637.db2.gz IZLMVKADQHHBEF-VXGBXAGGSA-N 1 1 194.322 1.472 10 30 ADEEMO Cc1cc(C[NH2+]C[C@@H](C)C#N)c(C)[nH]1 393346566 572169224 /nfs/dbraw/zinc/16/92/24/572169224.db2.gz GBZVYBUFEWUDBL-QMMMGPOBSA-N 1 1 191.278 1.881 10 30 ADEEMO C#C[C@H](CCC)[N@@H+]1CCNC[C@H]1CC 300398108 572169267 /nfs/dbraw/zinc/16/92/67/572169267.db2.gz GTGNTADLIFJUKP-VXGBXAGGSA-N 1 1 194.322 1.472 10 30 ADEEMO C#C[C@H](CCC)[N@H+]1CCNC[C@H]1CC 300398108 572169269 /nfs/dbraw/zinc/16/92/69/572169269.db2.gz GTGNTADLIFJUKP-VXGBXAGGSA-N 1 1 194.322 1.472 10 30 ADEEMO C#CCCC[N@@H+]1C[C@H](CC)NC[C@H]1C 300398120 572169294 /nfs/dbraw/zinc/16/92/94/572169294.db2.gz GVHCAQQEDIHZMP-NEPJUHHUSA-N 1 1 194.322 1.472 10 30 ADEEMO C#CCCCN1C[C@H](CC)[NH2+]C[C@H]1C 300398120 572169296 /nfs/dbraw/zinc/16/92/96/572169296.db2.gz GVHCAQQEDIHZMP-NEPJUHHUSA-N 1 1 194.322 1.472 10 30 ADEEMO C#C[C@H](CCC)[N@@H+]1C[C@@H](C)NC[C@H]1C 300397915 572169667 /nfs/dbraw/zinc/16/96/67/572169667.db2.gz FYMMWGIZQSYQBM-IJLUTSLNSA-N 1 1 194.322 1.471 10 30 ADEEMO C#C[C@H](CCC)[N@H+]1C[C@@H](C)NC[C@H]1C 300397915 572169670 /nfs/dbraw/zinc/16/96/70/572169670.db2.gz FYMMWGIZQSYQBM-IJLUTSLNSA-N 1 1 194.322 1.471 10 30 ADEEMO C#C[C@@H](CCC)[N@@H+]1CCNC[C@H]1CC 300398106 572170349 /nfs/dbraw/zinc/17/03/49/572170349.db2.gz GTGNTADLIFJUKP-NWDGAFQWSA-N 1 1 194.322 1.472 10 30 ADEEMO C#C[C@@H](CCC)[N@H+]1CCNC[C@H]1CC 300398106 572170352 /nfs/dbraw/zinc/17/03/52/572170352.db2.gz GTGNTADLIFJUKP-NWDGAFQWSA-N 1 1 194.322 1.472 10 30 ADEEMO C#C[C@H](CC)[N@@H+]1CCNC[C@H]1CC 300399253 572172153 /nfs/dbraw/zinc/17/21/53/572172153.db2.gz OUXGMNLMFGHZRV-GHMZBOCLSA-N 1 1 180.295 1.082 10 30 ADEEMO C#C[C@H](CC)[N@H+]1CCNC[C@H]1CC 300399253 572172155 /nfs/dbraw/zinc/17/21/55/572172155.db2.gz OUXGMNLMFGHZRV-GHMZBOCLSA-N 1 1 180.295 1.082 10 30 ADEEMO C#CCCC[N@@H+]1C[C@@H](C)NC[C@H]1CC 300399739 572171294 /nfs/dbraw/zinc/17/12/94/572171294.db2.gz WELUEIUNXJJKDG-VXGBXAGGSA-N 1 1 194.322 1.472 10 30 ADEEMO C#CCCCN1C[C@@H](C)[NH2+]C[C@H]1CC 300399739 572171297 /nfs/dbraw/zinc/17/12/97/572171297.db2.gz WELUEIUNXJJKDG-VXGBXAGGSA-N 1 1 194.322 1.472 10 30 ADEEMO C#CCC[N@@H+]1CCCN(C)C[C@@H]1CC 234069180 572171448 /nfs/dbraw/zinc/17/14/48/572171448.db2.gz CZHVYJJVEGUJBT-LBPRGKRZSA-N 1 1 194.322 1.426 10 30 ADEEMO C#CCCN1CCC[N@@H+](C)C[C@@H]1CC 234069180 572171450 /nfs/dbraw/zinc/17/14/50/572171450.db2.gz CZHVYJJVEGUJBT-LBPRGKRZSA-N 1 1 194.322 1.426 10 30 ADEEMO C#CCCN1CCC[N@H+](C)C[C@@H]1CC 234069180 572171452 /nfs/dbraw/zinc/17/14/52/572171452.db2.gz CZHVYJJVEGUJBT-LBPRGKRZSA-N 1 1 194.322 1.426 10 30 ADEEMO C#C[C@H](CC)[N@@H+]1CCC(=O)[C@H](C)[C@@H]1C 300399733 572171640 /nfs/dbraw/zinc/17/16/40/572171640.db2.gz VZJNIYSSIWIBAQ-OUAUKWLOSA-N 1 1 193.290 1.698 10 30 ADEEMO C#C[C@H](CC)[N@H+]1CCC(=O)[C@H](C)[C@@H]1C 300399733 572171643 /nfs/dbraw/zinc/17/16/43/572171643.db2.gz VZJNIYSSIWIBAQ-OUAUKWLOSA-N 1 1 193.290 1.698 10 30 ADEEMO C1CC[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@@H]1CO1 43425270 572173236 /nfs/dbraw/zinc/17/32/36/572173236.db2.gz WWEGGAVZAAWEIZ-MXWKQRLJSA-N 1 1 197.278 1.029 10 30 ADEEMO CC[C@H]1C[N@@H+](C)CCCN1CCC#N 234069199 572173001 /nfs/dbraw/zinc/17/30/01/572173001.db2.gz SUTYOVUFDGPIED-NSHDSACASA-N 1 1 195.310 1.316 10 30 ADEEMO C#C[C@H](CCC)[N@@H+]1CCC(=O)C[C@H]1C 300399291 572173095 /nfs/dbraw/zinc/17/30/95/572173095.db2.gz PSRVPLSELRPTKR-GHMZBOCLSA-N 1 1 193.290 1.842 10 30 ADEEMO C#C[C@H](CCC)[N@H+]1CCC(=O)C[C@H]1C 300399291 572173097 /nfs/dbraw/zinc/17/30/97/572173097.db2.gz PSRVPLSELRPTKR-GHMZBOCLSA-N 1 1 193.290 1.842 10 30 ADEEMO C#C[C@@H](CC)[N@@H+]1CC(C)(C)NC[C@H]1C 300397855 572173429 /nfs/dbraw/zinc/17/34/29/572173429.db2.gz FSGKVQPOYGYHBQ-MNOVXSKESA-N 1 1 194.322 1.471 10 30 ADEEMO C#C[C@@H](CC)[N@H+]1CC(C)(C)NC[C@H]1C 300397855 572173431 /nfs/dbraw/zinc/17/34/31/572173431.db2.gz FSGKVQPOYGYHBQ-MNOVXSKESA-N 1 1 194.322 1.471 10 30 ADEEMO C1CC[C@H]2[C@H](C1)OCC[N@@H+]2C[C@@H]1CO1 43425272 572173911 /nfs/dbraw/zinc/17/39/11/572173911.db2.gz WWEGGAVZAAWEIZ-VWYCJHECSA-N 1 1 197.278 1.029 10 30 ADEEMO C=CC[N@H+]1C[C@@H](C)NC[C@@H]1CCC 82935064 572176075 /nfs/dbraw/zinc/17/60/75/572176075.db2.gz KYDKEOYUMLFRQG-MNOVXSKESA-N 1 1 182.311 1.635 10 30 ADEEMO C=CC[N@@H+]1C[C@@H](C)NC[C@@H]1CCC 82935064 572176077 /nfs/dbraw/zinc/17/60/77/572176077.db2.gz KYDKEOYUMLFRQG-MNOVXSKESA-N 1 1 182.311 1.635 10 30 ADEEMO C=CC[N@H+]1C[C@@H](C)NC[C@H]1CCC 82935063 572177305 /nfs/dbraw/zinc/17/73/05/572177305.db2.gz KYDKEOYUMLFRQG-GHMZBOCLSA-N 1 1 182.311 1.635 10 30 ADEEMO C=CC[N@@H+]1C[C@@H](C)NC[C@H]1CCC 82935063 572177308 /nfs/dbraw/zinc/17/73/08/572177308.db2.gz KYDKEOYUMLFRQG-GHMZBOCLSA-N 1 1 182.311 1.635 10 30 ADEEMO C=CC[N@H+]1CCNC[C@@H]1[C@H](C)CC 82934609 572176644 /nfs/dbraw/zinc/17/66/44/572176644.db2.gz LEEIRVLYIQSFFV-GHMZBOCLSA-N 1 1 182.311 1.492 10 30 ADEEMO C=CC[N@@H+]1CCNC[C@@H]1[C@H](C)CC 82934609 572176648 /nfs/dbraw/zinc/17/66/48/572176648.db2.gz LEEIRVLYIQSFFV-GHMZBOCLSA-N 1 1 182.311 1.492 10 30 ADEEMO C=CC[N@H+]1CCNC[C@@H]1CC(C)C 82934698 572176874 /nfs/dbraw/zinc/17/68/74/572176874.db2.gz GDPBKDWUFTXSHP-NSHDSACASA-N 1 1 182.311 1.492 10 30 ADEEMO C=CC[N@@H+]1CCNC[C@@H]1CC(C)C 82934698 572176875 /nfs/dbraw/zinc/17/68/75/572176875.db2.gz GDPBKDWUFTXSHP-NSHDSACASA-N 1 1 182.311 1.492 10 30 ADEEMO Cc1[nH]c([C@@](C)(N)CC#N)c(C)[nH+]1 84334237 572177410 /nfs/dbraw/zinc/17/74/10/572177410.db2.gz QVYYMMNQPQKOET-VIFPVBQESA-N 1 1 178.239 1.114 10 30 ADEEMO Cc1cc([C@](C)([NH3+])CC#N)[nH]c1C 84333844 572177531 /nfs/dbraw/zinc/17/75/31/572177531.db2.gz QMFNLYMCCWQMTC-SNVBAGLBSA-N 1 1 177.251 1.719 10 30 ADEEMO C=CC[N@H+]1CCNC[C@@H]1[C@@H](C)CC 82934610 572177548 /nfs/dbraw/zinc/17/75/48/572177548.db2.gz LEEIRVLYIQSFFV-WDEREUQCSA-N 1 1 182.311 1.492 10 30 ADEEMO C=CC[N@@H+]1CCNC[C@@H]1[C@@H](C)CC 82934610 572177553 /nfs/dbraw/zinc/17/75/53/572177553.db2.gz LEEIRVLYIQSFFV-WDEREUQCSA-N 1 1 182.311 1.492 10 30 ADEEMO Cc1cc(C)c([C@](C)([NH3+])CC#N)[nH]1 84333834 572177669 /nfs/dbraw/zinc/17/76/69/572177669.db2.gz CFDXXYFTZLVNIQ-SNVBAGLBSA-N 1 1 177.251 1.719 10 30 ADEEMO C=CC[N@H+]1CCNC[C@H]1CC(C)C 82934697 572178155 /nfs/dbraw/zinc/17/81/55/572178155.db2.gz GDPBKDWUFTXSHP-LLVKDONJSA-N 1 1 182.311 1.492 10 30 ADEEMO C=CC[N@@H+]1CCNC[C@H]1CC(C)C 82934697 572178158 /nfs/dbraw/zinc/17/81/58/572178158.db2.gz GDPBKDWUFTXSHP-LLVKDONJSA-N 1 1 182.311 1.492 10 30 ADEEMO C=CC[N@H+]1C[C@H](C)NC[C@H]1CC(C)C 82935584 572178217 /nfs/dbraw/zinc/17/82/17/572178217.db2.gz DUPGQMXXAVDQOG-NWDGAFQWSA-N 1 1 196.338 1.881 10 30 ADEEMO C=CC[N@@H+]1C[C@H](C)NC[C@H]1CC(C)C 82935584 572178221 /nfs/dbraw/zinc/17/82/21/572178221.db2.gz DUPGQMXXAVDQOG-NWDGAFQWSA-N 1 1 196.338 1.881 10 30 ADEEMO C=CC[N@H+]1C[C@H](C)NC[C@@H]1CCC 82935066 572178432 /nfs/dbraw/zinc/17/84/32/572178432.db2.gz KYDKEOYUMLFRQG-QWRGUYRKSA-N 1 1 182.311 1.635 10 30 ADEEMO C=CC[N@@H+]1C[C@H](C)NC[C@@H]1CCC 82935066 572178433 /nfs/dbraw/zinc/17/84/33/572178433.db2.gz KYDKEOYUMLFRQG-QWRGUYRKSA-N 1 1 182.311 1.635 10 30 ADEEMO C=CC[N@H+]1C[C@@H](C)NC[C@H]1CC(C)C 82935583 572178609 /nfs/dbraw/zinc/17/86/09/572178609.db2.gz DUPGQMXXAVDQOG-VXGBXAGGSA-N 1 1 196.338 1.881 10 30 ADEEMO C=CC[N@@H+]1C[C@@H](C)NC[C@H]1CC(C)C 82935583 572178613 /nfs/dbraw/zinc/17/86/13/572178613.db2.gz DUPGQMXXAVDQOG-VXGBXAGGSA-N 1 1 196.338 1.881 10 30 ADEEMO C=CC[N@H+]1CCNC[C@H]1[C@@H](C)CC 82934608 572178814 /nfs/dbraw/zinc/17/88/14/572178814.db2.gz LEEIRVLYIQSFFV-QWRGUYRKSA-N 1 1 182.311 1.492 10 30 ADEEMO C=CC[N@@H+]1CCNC[C@H]1[C@@H](C)CC 82934608 572178816 /nfs/dbraw/zinc/17/88/16/572178816.db2.gz LEEIRVLYIQSFFV-QWRGUYRKSA-N 1 1 182.311 1.492 10 30 ADEEMO C=CC[N@H+]1C[C@H](C)NC[C@H]1CCC 82935065 572179009 /nfs/dbraw/zinc/17/90/09/572179009.db2.gz KYDKEOYUMLFRQG-WDEREUQCSA-N 1 1 182.311 1.635 10 30 ADEEMO C=CC[N@@H+]1C[C@H](C)NC[C@H]1CCC 82935065 572179011 /nfs/dbraw/zinc/17/90/11/572179011.db2.gz KYDKEOYUMLFRQG-WDEREUQCSA-N 1 1 182.311 1.635 10 30 ADEEMO C=CC[N@H+]1C[C@H](C2CC2)NC[C@H]1CC 82938841 572180060 /nfs/dbraw/zinc/18/00/60/572180060.db2.gz ZJXKNMJPZAKFNY-VXGBXAGGSA-N 1 1 194.322 1.635 10 30 ADEEMO C=CC[N@@H+]1C[C@H](C2CC2)NC[C@H]1CC 82938841 572180063 /nfs/dbraw/zinc/18/00/63/572180063.db2.gz ZJXKNMJPZAKFNY-VXGBXAGGSA-N 1 1 194.322 1.635 10 30 ADEEMO C=CC[N@H+]1C[C@@H](C2CC2)NC[C@@H]1CC 82938840 572180101 /nfs/dbraw/zinc/18/01/01/572180101.db2.gz ZJXKNMJPZAKFNY-RYUDHWBXSA-N 1 1 194.322 1.635 10 30 ADEEMO C=CC[N@@H+]1C[C@@H](C2CC2)NC[C@@H]1CC 82938840 572180105 /nfs/dbraw/zinc/18/01/05/572180105.db2.gz ZJXKNMJPZAKFNY-RYUDHWBXSA-N 1 1 194.322 1.635 10 30 ADEEMO C=CC[N@H+]1C[C@H](CC)NC[C@H]1C1CC1 82936740 572180195 /nfs/dbraw/zinc/18/01/95/572180195.db2.gz UCIPDAJVDDAQFQ-RYUDHWBXSA-N 1 1 194.322 1.635 10 30 ADEEMO C=CC[N@@H+]1C[C@H](CC)NC[C@H]1C1CC1 82936740 572180198 /nfs/dbraw/zinc/18/01/98/572180198.db2.gz UCIPDAJVDDAQFQ-RYUDHWBXSA-N 1 1 194.322 1.635 10 30 ADEEMO C=CC[N@@H+]1C[C@@H](C2CC2)NC[C@H]1CC 82938839 572181591 /nfs/dbraw/zinc/18/15/91/572181591.db2.gz ZJXKNMJPZAKFNY-NEPJUHHUSA-N 1 1 194.322 1.635 10 30 ADEEMO C=CC[N@H+]1C[C@@H](C2CC2)NC[C@H]1CC 82938839 572181588 /nfs/dbraw/zinc/18/15/88/572181588.db2.gz ZJXKNMJPZAKFNY-NEPJUHHUSA-N 1 1 194.322 1.635 10 30 ADEEMO CC(C)CC[C@](C)([NH3+])C#N 19282142 572181995 /nfs/dbraw/zinc/18/19/95/572181995.db2.gz BKBBAHFZRVDKRQ-QMMMGPOBSA-N 1 1 140.230 1.664 10 30 ADEEMO C#CC[NH2+]Cc1nc2ccccc2n1C 70162316 572182164 /nfs/dbraw/zinc/18/21/64/572182164.db2.gz KLFBVKKQCOWNIN-UHFFFAOYSA-N 1 1 199.257 1.296 10 30 ADEEMO C=CC[N@@H+](CCO)CC[C@H]1CCCO1 220195990 572182385 /nfs/dbraw/zinc/18/23/85/572182385.db2.gz MJPGYJSJOQOVCU-LLVKDONJSA-N 1 1 199.294 1.036 10 30 ADEEMO C=CC[N@H+]1C[C@H](C2CC2)NC[C@@H]1CC 82938842 572182788 /nfs/dbraw/zinc/18/27/88/572182788.db2.gz ZJXKNMJPZAKFNY-NWDGAFQWSA-N 1 1 194.322 1.635 10 30 ADEEMO C=CC[N@@H+]1C[C@H](C2CC2)NC[C@@H]1CC 82938842 572182793 /nfs/dbraw/zinc/18/27/93/572182793.db2.gz ZJXKNMJPZAKFNY-NWDGAFQWSA-N 1 1 194.322 1.635 10 30 ADEEMO CC(C)CC[C@@](C)([NH3+])C#N 19282140 572183710 /nfs/dbraw/zinc/18/37/10/572183710.db2.gz BKBBAHFZRVDKRQ-MRVPVSSYSA-N 1 1 140.230 1.664 10 30 ADEEMO CCCCN1CC[N@H+](C)C[C@H]1CC#N 249814323 572184732 /nfs/dbraw/zinc/18/47/32/572184732.db2.gz DOLKSMKBRTXHDS-LLVKDONJSA-N 1 1 195.310 1.316 10 30 ADEEMO CCCCN1CC[N@@H+](C)C[C@H]1CC#N 249814323 572184734 /nfs/dbraw/zinc/18/47/34/572184734.db2.gz DOLKSMKBRTXHDS-LLVKDONJSA-N 1 1 195.310 1.316 10 30 ADEEMO C#CCCNCC[NH+](C(C)C)C(C)C 70159556 572184825 /nfs/dbraw/zinc/18/48/25/572184825.db2.gz BIFYWVYLIWGTFZ-UHFFFAOYSA-N 1 1 196.338 1.718 10 30 ADEEMO CCCC[N@@H+](CC)CC/C(N)=N/O 19519746 572186610 /nfs/dbraw/zinc/18/66/10/572186610.db2.gz VZOOJVZDEVDQIF-UHFFFAOYSA-N 1 1 187.287 1.245 10 30 ADEEMO C[N@@H+](CC/C(N)=N\O)C1CCCCC1 19505374 572187463 /nfs/dbraw/zinc/18/74/63/572187463.db2.gz WXUWEBORXYEWKF-UHFFFAOYSA-N 1 1 199.298 1.387 10 30 ADEEMO CCCC[N@H+]1C[C@H](C)N[C@@H](CC#N)C1 249856529 572188793 /nfs/dbraw/zinc/18/87/93/572188793.db2.gz MBAPRIONZCYJRG-QWRGUYRKSA-N 1 1 195.310 1.362 10 30 ADEEMO C=CC[C@H](C)[NH2+][C@H](CC)C(=O)OCC 122199015 572188891 /nfs/dbraw/zinc/18/88/91/572188891.db2.gz QDGPUATWHWPMBH-VHSXEESVSA-N 1 1 199.294 1.882 10 30 ADEEMO C=CC[C@@H](C)[NH2+][C@H](CC)C(=O)OCC 122199450 572188959 /nfs/dbraw/zinc/18/89/59/572188959.db2.gz QDGPUATWHWPMBH-NXEZZACHSA-N 1 1 199.294 1.882 10 30 ADEEMO C=CC[C@@H](C)[NH2+][C@@H](CC)C(=O)OCC 122199216 572189041 /nfs/dbraw/zinc/18/90/41/572189041.db2.gz QDGPUATWHWPMBH-ZJUUUORDSA-N 1 1 199.294 1.882 10 30 ADEEMO CCCN1[C@@H](C)C[N@H+](C)C[C@H]1CC#N 249861436 572190163 /nfs/dbraw/zinc/19/01/63/572190163.db2.gz AJLPVXDTVLSBBH-WDEREUQCSA-N 1 1 195.310 1.315 10 30 ADEEMO CCCN1[C@@H](C)C[N@@H+](C)C[C@H]1CC#N 249861436 572190166 /nfs/dbraw/zinc/19/01/66/572190166.db2.gz AJLPVXDTVLSBBH-WDEREUQCSA-N 1 1 195.310 1.315 10 30 ADEEMO C=CC[C@H](C)[NH2+][C@@H](CC)C(=O)OCC 122198828 572190326 /nfs/dbraw/zinc/19/03/26/572190326.db2.gz QDGPUATWHWPMBH-UWVGGRQHSA-N 1 1 199.294 1.882 10 30 ADEEMO C#CCC[N@@H+]1CCNC(CC)(CC)C1 83084711 572190569 /nfs/dbraw/zinc/19/05/69/572190569.db2.gz ITSVJMVLSBDORA-UHFFFAOYSA-N 1 1 194.322 1.474 10 30 ADEEMO C#CCC[N@H+]1CCNC(CC)(CC)C1 83084711 572190572 /nfs/dbraw/zinc/19/05/72/572190572.db2.gz ITSVJMVLSBDORA-UHFFFAOYSA-N 1 1 194.322 1.474 10 30 ADEEMO C#CCC[N@@H+]1CCN[C@H](CCC)C1 83084709 572190644 /nfs/dbraw/zinc/19/06/44/572190644.db2.gz SDAPACHBZGIWFI-LLVKDONJSA-N 1 1 180.295 1.084 10 30 ADEEMO C#CCC[N@H+]1CCN[C@H](CCC)C1 83084709 572190650 /nfs/dbraw/zinc/19/06/50/572190650.db2.gz SDAPACHBZGIWFI-LLVKDONJSA-N 1 1 180.295 1.084 10 30 ADEEMO CCCN1[C@H](C)C[N@H+](C)C[C@H]1CC#N 249861433 572190691 /nfs/dbraw/zinc/19/06/91/572190691.db2.gz AJLPVXDTVLSBBH-GHMZBOCLSA-N 1 1 195.310 1.315 10 30 ADEEMO CCCN1[C@H](C)C[N@@H+](C)C[C@H]1CC#N 249861433 572190693 /nfs/dbraw/zinc/19/06/93/572190693.db2.gz AJLPVXDTVLSBBH-GHMZBOCLSA-N 1 1 195.310 1.315 10 30 ADEEMO CCC[N@H+]1C[C@H](CC#N)NCC[C@H]1C 249868992 572190796 /nfs/dbraw/zinc/19/07/96/572190796.db2.gz CCPSVGQRXCZTAX-MNOVXSKESA-N 1 1 195.310 1.362 10 30 ADEEMO C#CCC[NH2+]C1CCN(C(C)C)CC1 70191134 572191001 /nfs/dbraw/zinc/19/10/01/572191001.db2.gz FMMQZYNMKIZUFA-UHFFFAOYSA-N 1 1 194.322 1.472 10 30 ADEEMO CCCC[N@@H+]1C[C@H](CC#N)N[C@H](C)C1 249856526 572191446 /nfs/dbraw/zinc/19/14/46/572191446.db2.gz MBAPRIONZCYJRG-MNOVXSKESA-N 1 1 195.310 1.362 10 30 ADEEMO C#CCC[NH2+]C1CCN(CC)CC1 70191142 572191503 /nfs/dbraw/zinc/19/15/03/572191503.db2.gz VDLJWVTUACQOOU-UHFFFAOYSA-N 1 1 180.295 1.084 10 30 ADEEMO C#CC[NH2+][C@H](C)c1nc2ccccc2[nH]1 70184581 572191891 /nfs/dbraw/zinc/19/18/91/572191891.db2.gz RVQRWDNYJZPAKC-SECBINFHSA-N 1 1 199.257 1.847 10 30 ADEEMO C#CC[NH2+][C@@H](C)c1nc2ccccc2[nH]1 70184580 572191938 /nfs/dbraw/zinc/19/19/38/572191938.db2.gz RVQRWDNYJZPAKC-VIFPVBQESA-N 1 1 199.257 1.847 10 30 ADEEMO C#CC[NH2+]CC1(N(C)C)CCCCC1 70184497 572192595 /nfs/dbraw/zinc/19/25/95/572192595.db2.gz SGCBMSKYHUMYGB-UHFFFAOYSA-N 1 1 194.322 1.474 10 30 ADEEMO C#CCC[NH2+]C1CCN(CCC)CC1 70191138 572192792 /nfs/dbraw/zinc/19/27/92/572192792.db2.gz GUUJWZNWVVBVNA-UHFFFAOYSA-N 1 1 194.322 1.474 10 30 ADEEMO C[C@H]([NH2+]C/C(N)=N/O)c1cccs1 70202744 572193937 /nfs/dbraw/zinc/19/39/37/572193937.db2.gz IWQCTMISDAWOGE-LURJTMIESA-N 1 1 199.279 1.145 10 30 ADEEMO CCCN1C[C@H](C)[N@H+](C)C[C@H]1CC#N 249870339 572192995 /nfs/dbraw/zinc/19/29/95/572192995.db2.gz CJMIXRPKIPDLAA-WDEREUQCSA-N 1 1 195.310 1.315 10 30 ADEEMO CCCN1C[C@H](C)[N@@H+](C)C[C@H]1CC#N 249870339 572192998 /nfs/dbraw/zinc/19/29/98/572192998.db2.gz CJMIXRPKIPDLAA-WDEREUQCSA-N 1 1 195.310 1.315 10 30 ADEEMO C#CCC[N@@H+]1CCN[C@@H](CCC)C1 83084710 572193086 /nfs/dbraw/zinc/19/30/86/572193086.db2.gz SDAPACHBZGIWFI-NSHDSACASA-N 1 1 180.295 1.084 10 30 ADEEMO C#CCC[N@H+]1CCN[C@@H](CCC)C1 83084710 572193088 /nfs/dbraw/zinc/19/30/88/572193088.db2.gz SDAPACHBZGIWFI-NSHDSACASA-N 1 1 180.295 1.084 10 30 ADEEMO C[C@@H]([NH2+]C/C(N)=N/O)c1ccccc1 70199699 572193954 /nfs/dbraw/zinc/19/39/54/572193954.db2.gz LGHVKIMRCICPLR-MRVPVSSYSA-N 1 1 193.250 1.084 10 30 ADEEMO CC(C)c1[nH+]ccn1[C@@H](C)/C(N)=N/O 43516414 572193683 /nfs/dbraw/zinc/19/36/83/572193683.db2.gz IDECLNZNUOYZAM-ZETCQYMHSA-N 1 1 196.254 1.314 10 30 ADEEMO C#CCC[N@H+]1C[C@@H](CC)NC[C@@H]1CC 83091032 572193905 /nfs/dbraw/zinc/19/39/05/572193905.db2.gz LCMBYJSMHASWTL-NEPJUHHUSA-N 1 1 194.322 1.472 10 30 ADEEMO C#CCC[N@@H+]1C[C@@H](CC)NC[C@@H]1CC 83091032 572193908 /nfs/dbraw/zinc/19/39/08/572193908.db2.gz LCMBYJSMHASWTL-NEPJUHHUSA-N 1 1 194.322 1.472 10 30 ADEEMO CCC[N@H+]1CC[C@@H](C)N[C@@H](CC#N)C1 249871407 572194017 /nfs/dbraw/zinc/19/40/17/572194017.db2.gz CSWZVSAQIWQNCI-MNOVXSKESA-N 1 1 195.310 1.362 10 30 ADEEMO C#CCCN1CCC[NH2+][C@@H](CCC)C1 83093694 572194018 /nfs/dbraw/zinc/19/40/18/572194018.db2.gz UJWUQFQOGQFKBU-LBPRGKRZSA-N 1 1 194.322 1.474 10 30 ADEEMO CCCN1C[C@@H](C)[N@H+](C)C[C@H]1CC#N 249870336 572194059 /nfs/dbraw/zinc/19/40/59/572194059.db2.gz CJMIXRPKIPDLAA-GHMZBOCLSA-N 1 1 195.310 1.315 10 30 ADEEMO CCCN1C[C@@H](C)[N@@H+](C)C[C@H]1CC#N 249870336 572194060 /nfs/dbraw/zinc/19/40/60/572194060.db2.gz CJMIXRPKIPDLAA-GHMZBOCLSA-N 1 1 195.310 1.315 10 30 ADEEMO CC(C)c1[nH+]ccn1[C@H](C)/C(N)=N/O 43516415 572194093 /nfs/dbraw/zinc/19/40/93/572194093.db2.gz IDECLNZNUOYZAM-SSDOTTSWSA-N 1 1 196.254 1.314 10 30 ADEEMO CCC[N@H+]1CC[C@H](C)N[C@@H](CC#N)C1 249871410 572194216 /nfs/dbraw/zinc/19/42/16/572194216.db2.gz CSWZVSAQIWQNCI-QWRGUYRKSA-N 1 1 195.310 1.362 10 30 ADEEMO C#CCC[N@H+]1C[C@H](CC)NC[C@H]1CC 83091034 572194628 /nfs/dbraw/zinc/19/46/28/572194628.db2.gz LCMBYJSMHASWTL-NWDGAFQWSA-N 1 1 194.322 1.472 10 30 ADEEMO C#CCC[N@@H+]1C[C@H](CC)NC[C@H]1CC 83091034 572194631 /nfs/dbraw/zinc/19/46/31/572194631.db2.gz LCMBYJSMHASWTL-NWDGAFQWSA-N 1 1 194.322 1.472 10 30 ADEEMO C[C@H](/C(N)=N/O)[N@@H+](C)C1CCCCC1 43515853 572194338 /nfs/dbraw/zinc/19/43/38/572194338.db2.gz DQGKKMOQBJHCBE-MRVPVSSYSA-N 1 1 199.298 1.386 10 30 ADEEMO C[C@H]1C[C@@H](C)C[N@@H+]([C@@H](C)/C(N)=N/O)C1 43515872 572194429 /nfs/dbraw/zinc/19/44/29/572194429.db2.gz JPWFJVGWOWRIHC-YIZRAAEISA-N 1 1 199.298 1.099 10 30 ADEEMO CC[C@H]1CCCC[N@H+]1[C@@H](C)/C(N)=N/O 43515960 572194569 /nfs/dbraw/zinc/19/45/69/572194569.db2.gz KDVWFFLFQBHFFI-IUCAKERBSA-N 1 1 199.298 1.386 10 30 ADEEMO C[C@@H]([NH2+]C/C(N)=N/O)c1cccs1 70202746 572194946 /nfs/dbraw/zinc/19/49/46/572194946.db2.gz IWQCTMISDAWOGE-ZCFIWIBFSA-N 1 1 199.279 1.145 10 30 ADEEMO C#CCC[N@H+]1C[C@@H](CC)NC[C@H]1CC 83091030 572195038 /nfs/dbraw/zinc/19/50/38/572195038.db2.gz LCMBYJSMHASWTL-VXGBXAGGSA-N 1 1 194.322 1.472 10 30 ADEEMO C#CCC[N@@H+]1C[C@@H](CC)NC[C@H]1CC 83091030 572195039 /nfs/dbraw/zinc/19/50/39/572195039.db2.gz LCMBYJSMHASWTL-VXGBXAGGSA-N 1 1 194.322 1.472 10 30 ADEEMO CC[C@@H]1CCCC[N@H+]1[C@@H](C)/C(N)=N/O 43515959 572195079 /nfs/dbraw/zinc/19/50/79/572195079.db2.gz KDVWFFLFQBHFFI-DTWKUNHWSA-N 1 1 199.298 1.386 10 30 ADEEMO CCCC[N@H+]1CCN(C)[C@@H](CC#N)C1 249893415 572195139 /nfs/dbraw/zinc/19/51/39/572195139.db2.gz SZNBOGZBXCIIHU-NSHDSACASA-N 1 1 195.310 1.316 10 30 ADEEMO C#CCCN1CCC[NH2+][C@H](CCC)C1 83093692 572195598 /nfs/dbraw/zinc/19/55/98/572195598.db2.gz UJWUQFQOGQFKBU-GFCCVEGCSA-N 1 1 194.322 1.474 10 30 ADEEMO C#CCC[N@H+]1C[C@@H](CCC)NC[C@H]1C 83091016 572195651 /nfs/dbraw/zinc/19/56/51/572195651.db2.gz ZWYLCFVYROETEN-VXGBXAGGSA-N 1 1 194.322 1.472 10 30 ADEEMO C#CCC[N@@H+]1C[C@@H](CCC)NC[C@H]1C 83091016 572195653 /nfs/dbraw/zinc/19/56/53/572195653.db2.gz ZWYLCFVYROETEN-VXGBXAGGSA-N 1 1 194.322 1.472 10 30 ADEEMO CC[C@H]1CCC[N@@H+](C[C@@H]2CO2)C1 36169507 572195710 /nfs/dbraw/zinc/19/57/10/572195710.db2.gz YMWJFCSMAHYZSJ-VHSXEESVSA-N 1 1 169.268 1.507 10 30 ADEEMO CC[C@@H]1CCC[N@@H+](C[C@@H]2CO2)C1 36169506 572195692 /nfs/dbraw/zinc/19/56/92/572195692.db2.gz YMWJFCSMAHYZSJ-NXEZZACHSA-N 1 1 169.268 1.507 10 30 ADEEMO C#CCC[N@H+]1C[C@H](CCC)NC[C@H]1C 83091017 572195841 /nfs/dbraw/zinc/19/58/41/572195841.db2.gz ZWYLCFVYROETEN-NEPJUHHUSA-N 1 1 194.322 1.472 10 30 ADEEMO C#CCC[N@@H+]1C[C@H](CCC)NC[C@H]1C 83091017 572195843 /nfs/dbraw/zinc/19/58/43/572195843.db2.gz ZWYLCFVYROETEN-NEPJUHHUSA-N 1 1 194.322 1.472 10 30 ADEEMO C#CCC[N@H+]1C[C@H](CC)NC[C@@H]1CC 83091036 572195930 /nfs/dbraw/zinc/19/59/30/572195930.db2.gz LCMBYJSMHASWTL-RYUDHWBXSA-N 1 1 194.322 1.472 10 30 ADEEMO C#CCC[N@@H+]1C[C@H](CC)NC[C@@H]1CC 83091036 572195933 /nfs/dbraw/zinc/19/59/33/572195933.db2.gz LCMBYJSMHASWTL-RYUDHWBXSA-N 1 1 194.322 1.472 10 30 ADEEMO C[C@H](C#N)N[C@@H]1CC[N@H+]2CCCC[C@H]12 43515548 572196034 /nfs/dbraw/zinc/19/60/34/572196034.db2.gz NKSFQOQOWFQMOS-GMTAPVOTSA-N 1 1 193.294 1.115 10 30 ADEEMO CC#CC[N@H+](C)[C@@H](C)CC 687712221 572196327 /nfs/dbraw/zinc/19/63/27/572196327.db2.gz CPUBDSFAIVALCM-VIFPVBQESA-N 1 1 139.242 1.740 10 30 ADEEMO CCC[N@H+]1C[C@H](CC#N)N(C)C[C@H]1C 249881883 572196572 /nfs/dbraw/zinc/19/65/72/572196572.db2.gz FWYQJAJTCIJFPS-MNOVXSKESA-N 1 1 195.310 1.315 10 30 ADEEMO CC[C@H](/C(N)=N/O)[N@H+]1CCC[C@H](C)C1 43539373 572196659 /nfs/dbraw/zinc/19/66/59/572196659.db2.gz VVURSWHPNSUHHE-DTWKUNHWSA-N 1 1 199.298 1.243 10 30 ADEEMO CCc1[nH+]ccn1[C@@H](C)C#N 43522488 572196689 /nfs/dbraw/zinc/19/66/89/572196689.db2.gz WHLQZJDBCZCLOC-ZETCQYMHSA-N 1 1 149.197 1.530 10 30 ADEEMO CCC[N@H+]1C[C@@H](CC#N)N(C)C[C@H]1C 249881881 572196935 /nfs/dbraw/zinc/19/69/35/572196935.db2.gz FWYQJAJTCIJFPS-GHMZBOCLSA-N 1 1 195.310 1.315 10 30 ADEEMO CC[C@H](/C(N)=N/O)[N@H+]1CCCC[C@@H]1C 43539351 572197149 /nfs/dbraw/zinc/19/71/49/572197149.db2.gz ZUIXYKHMQHZWEW-DTWKUNHWSA-N 1 1 199.298 1.386 10 30 ADEEMO CC#CC[N@H+](C)[C@H](C)CC 687712220 572197573 /nfs/dbraw/zinc/19/75/73/572197573.db2.gz CPUBDSFAIVALCM-SECBINFHSA-N 1 1 139.242 1.740 10 30 ADEEMO Cc1[nH+]c2ccc(N)cn2c1CC#N 36221869 572197892 /nfs/dbraw/zinc/19/78/92/572197892.db2.gz BMHYHWOYIJWXQB-UHFFFAOYSA-N 1 1 186.218 1.291 10 30 ADEEMO CC[C@@H](/C(N)=N/O)[N@H+]1CCC[C@H](C)C1 43539372 572198058 /nfs/dbraw/zinc/19/80/58/572198058.db2.gz VVURSWHPNSUHHE-IUCAKERBSA-N 1 1 199.298 1.243 10 30 ADEEMO CCc1[nH+]ccn1[C@H](C)C#N 43522490 572198249 /nfs/dbraw/zinc/19/82/49/572198249.db2.gz WHLQZJDBCZCLOC-SSDOTTSWSA-N 1 1 149.197 1.530 10 30 ADEEMO C#CC(C)(C)[NH2+]Cc1cnoc1 69681034 572198328 /nfs/dbraw/zinc/19/83/28/572198328.db2.gz JXRKLUNQBIFGJL-UHFFFAOYSA-N 1 1 164.208 1.176 10 30 ADEEMO CC[C@@H](/C(N)=N/O)[N@H+]1CCCC[C@@H]1C 43539350 572198821 /nfs/dbraw/zinc/19/88/21/572198821.db2.gz ZUIXYKHMQHZWEW-IUCAKERBSA-N 1 1 199.298 1.386 10 30 ADEEMO C[C@H]1C[N@H+](CCCCC#N)[C@@H](C)CN1 83125719 572199444 /nfs/dbraw/zinc/19/94/44/572199444.db2.gz IQEITVBNEAFJRO-QWRGUYRKSA-N 1 1 195.310 1.362 10 30 ADEEMO C[C@H]1C[N@@H+](CCCCC#N)[C@@H](C)CN1 83125719 572199446 /nfs/dbraw/zinc/19/94/46/572199446.db2.gz IQEITVBNEAFJRO-QWRGUYRKSA-N 1 1 195.310 1.362 10 30 ADEEMO CC[C@H](C#N)[N@@H+]1CC[C@H](C)C1 43556442 572199638 /nfs/dbraw/zinc/19/96/38/572199638.db2.gz OPTQDZRATMSERG-DTWKUNHWSA-N 1 1 152.241 1.630 10 30 ADEEMO CC[C@H](C#N)[N@H+]1CC[C@H](C)C1 43556442 572199641 /nfs/dbraw/zinc/19/96/41/572199641.db2.gz OPTQDZRATMSERG-DTWKUNHWSA-N 1 1 152.241 1.630 10 30 ADEEMO C[C@H]1C[N@H+](CCCCC#N)[C@H](C)CN1 83125717 572199765 /nfs/dbraw/zinc/19/97/65/572199765.db2.gz IQEITVBNEAFJRO-WDEREUQCSA-N 1 1 195.310 1.362 10 30 ADEEMO C[C@H]1C[N@@H+](CCCCC#N)[C@H](C)CN1 83125717 572199766 /nfs/dbraw/zinc/19/97/66/572199766.db2.gz IQEITVBNEAFJRO-WDEREUQCSA-N 1 1 195.310 1.362 10 30 ADEEMO CCCC[N@H+]1C[C@H](CC#N)NC[C@H]1C 249905776 572200845 /nfs/dbraw/zinc/20/08/45/572200845.db2.gz YDVFZMHWYHSJJB-MNOVXSKESA-N 1 1 195.310 1.362 10 30 ADEEMO C[C@H]1CN[C@H](C)C[N@@H+]1CCCCC#N 83125715 572200857 /nfs/dbraw/zinc/20/08/57/572200857.db2.gz IQEITVBNEAFJRO-MNOVXSKESA-N 1 1 195.310 1.362 10 30 ADEEMO C[C@H]1CN[C@H](C)C[N@H+]1CCCCC#N 83125715 572200859 /nfs/dbraw/zinc/20/08/59/572200859.db2.gz IQEITVBNEAFJRO-MNOVXSKESA-N 1 1 195.310 1.362 10 30 ADEEMO C[C@@H]1C[N@H+](CCCCC#N)[C@H](C)CN1 83125713 572200898 /nfs/dbraw/zinc/20/08/98/572200898.db2.gz IQEITVBNEAFJRO-GHMZBOCLSA-N 1 1 195.310 1.362 10 30 ADEEMO C[C@@H]1C[N@@H+](CCCCC#N)[C@H](C)CN1 83125713 572200904 /nfs/dbraw/zinc/20/09/04/572200904.db2.gz IQEITVBNEAFJRO-GHMZBOCLSA-N 1 1 195.310 1.362 10 30 ADEEMO CC[C@@H](C#N)[N@@H+]1CC[C@H](C)C1 43556440 572200927 /nfs/dbraw/zinc/20/09/27/572200927.db2.gz OPTQDZRATMSERG-IUCAKERBSA-N 1 1 152.241 1.630 10 30 ADEEMO CC[C@@H](C#N)[N@H+]1CC[C@H](C)C1 43556440 572200933 /nfs/dbraw/zinc/20/09/33/572200933.db2.gz OPTQDZRATMSERG-IUCAKERBSA-N 1 1 152.241 1.630 10 30 ADEEMO CCCC[N@H+]1C[C@@H](CC#N)NC[C@H]1C 249905772 572201155 /nfs/dbraw/zinc/20/11/55/572201155.db2.gz YDVFZMHWYHSJJB-GHMZBOCLSA-N 1 1 195.310 1.362 10 30 ADEEMO C=CCNc1cc[nH+]c(NCC=C)n1 117277178 572201721 /nfs/dbraw/zinc/20/17/21/572201721.db2.gz ZUBWHPCPNBTPFW-UHFFFAOYSA-N 1 1 190.250 1.672 10 30 ADEEMO CN(C[C@@H]1CCC[N@H+]1C)C(C)(C)C#N 334787354 572202068 /nfs/dbraw/zinc/20/20/68/572202068.db2.gz CGFNTLPUMLHPGV-JTQLQIEISA-N 1 1 195.310 1.315 10 30 ADEEMO CN(C[C@H]1CCC[N@H+]1C)C(C)(C)C#N 334787356 572202338 /nfs/dbraw/zinc/20/23/38/572202338.db2.gz CGFNTLPUMLHPGV-SNVBAGLBSA-N 1 1 195.310 1.315 10 30 ADEEMO C=C(C)CC[N@H+]1CCCC[C@@H]1CO 168017031 572206346 /nfs/dbraw/zinc/20/63/46/572206346.db2.gz DINANNPVRLPGEM-LLVKDONJSA-N 1 1 183.295 1.799 10 30 ADEEMO C=C[C@@H](C)[NH2+]Cc1cc(OC)n(C)n1 300978064 572207689 /nfs/dbraw/zinc/20/76/89/572207689.db2.gz RFFQUKOHLZVQCV-MRVPVSSYSA-N 1 1 195.266 1.093 10 30 ADEEMO C[NH+]1CCN(C2(C#N)CCCC2)CC1 19935160 572207720 /nfs/dbraw/zinc/20/77/20/572207720.db2.gz CCCPSOZCUJGUOQ-UHFFFAOYSA-N 1 1 193.294 1.070 10 30 ADEEMO C#CC[N@H+](C[C@H](C)OC)C1CC1 393353266 572207919 /nfs/dbraw/zinc/20/79/19/572207919.db2.gz BOPVTEKKCXDACI-VIFPVBQESA-N 1 1 167.252 1.119 10 30 ADEEMO C#CC[N@H+](C[C@@H](C)OC)C1CC1 393353265 572208059 /nfs/dbraw/zinc/20/80/59/572208059.db2.gz BOPVTEKKCXDACI-SECBINFHSA-N 1 1 167.252 1.119 10 30 ADEEMO C=CCC[C@H](O)C[N@@H+](C)CC=C 393353259 572208382 /nfs/dbraw/zinc/20/83/82/572208382.db2.gz BMAWQPBEANNDJH-JTQLQIEISA-N 1 1 169.268 1.431 10 30 ADEEMO COC[C@@H](C)C[N@@H+](C)CCC#N 393356323 572209558 /nfs/dbraw/zinc/20/95/58/572209558.db2.gz VEDCKEZSQXNHBD-VIFPVBQESA-N 1 1 170.256 1.114 10 30 ADEEMO CC[C@@H](C/C(N)=N\O)[N@H+]1CC[C@H](C)C1 40718364 572210057 /nfs/dbraw/zinc/21/00/57/572210057.db2.gz PIDFGMRXJVFFSL-IUCAKERBSA-N 1 1 199.298 1.243 10 30 ADEEMO C=C(C)CC[N@H+](C)[C@H](C)CO 168048499 572211159 /nfs/dbraw/zinc/21/11/59/572211159.db2.gz KJLULOYBNRJJTR-SECBINFHSA-N 1 1 157.257 1.265 10 30 ADEEMO C=CC[N@H+]1C[C@@H](C)C(=O)C[C@@H]1C 196460446 572211708 /nfs/dbraw/zinc/21/17/08/572211708.db2.gz XNHCUJAYSRSYMI-BDAKNGLRSA-N 1 1 167.252 1.472 10 30 ADEEMO C=CC[N@@H+]1C[C@@H](C)C(=O)C[C@@H]1C 196460446 572211710 /nfs/dbraw/zinc/21/17/10/572211710.db2.gz XNHCUJAYSRSYMI-BDAKNGLRSA-N 1 1 167.252 1.472 10 30 ADEEMO CC[C@H](C/C(N)=N\O)[N@H+]1CC[C@H](C)C1 40718365 572212146 /nfs/dbraw/zinc/21/21/46/572212146.db2.gz PIDFGMRXJVFFSL-DTWKUNHWSA-N 1 1 199.298 1.243 10 30 ADEEMO C#CC[NH2+]Cc1c(C)noc1C 20252779 572212544 /nfs/dbraw/zinc/21/25/44/572212544.db2.gz YMYUFFFIWFYKTF-UHFFFAOYSA-N 1 1 164.208 1.014 10 30 ADEEMO C=C(COCCC)[C@@]1(O)CC[N@@H+](C)C1 387494058 572212615 /nfs/dbraw/zinc/21/26/15/572212615.db2.gz ZZQWUAFQIWFISR-LLVKDONJSA-N 1 1 199.294 1.036 10 30 ADEEMO C=CC[N@H+]1C[C@H](C)C(=O)C[C@@H]1C 196460465 572212704 /nfs/dbraw/zinc/21/27/04/572212704.db2.gz XNHCUJAYSRSYMI-IUCAKERBSA-N 1 1 167.252 1.472 10 30 ADEEMO C=CC[N@@H+]1C[C@H](C)C(=O)C[C@@H]1C 196460465 572212706 /nfs/dbraw/zinc/21/27/06/572212706.db2.gz XNHCUJAYSRSYMI-IUCAKERBSA-N 1 1 167.252 1.472 10 30 ADEEMO C=CCCOC(=O)[C@@H]([NH3+])C(C)(C)C 113645068 572212747 /nfs/dbraw/zinc/21/27/47/572212747.db2.gz XQTGQDNCKGAJGV-MRVPVSSYSA-N 1 1 185.267 1.479 10 30 ADEEMO C#CCC[N@H+]1CCC(=NO)[C@@H](C)C1 687794969 572213265 /nfs/dbraw/zinc/21/32/65/572213265.db2.gz FWHAIHVYFBAVQE-VIFPVBQESA-N 1 1 180.251 1.182 10 30 ADEEMO C/[NH+]=C/c1ccsc1 36466082 572213603 /nfs/dbraw/zinc/21/36/03/572213603.db2.gz DJFLZFSQBQALTD-QPJJXVBHSA-N 1 1 125.196 1.797 10 30 ADEEMO C#CCC[N@H+]1CCC(=NO)[C@H](C)C1 687794968 572213859 /nfs/dbraw/zinc/21/38/59/572213859.db2.gz FWHAIHVYFBAVQE-SECBINFHSA-N 1 1 180.251 1.182 10 30 ADEEMO C[C@H]1CN(C)CC[N@@H+](CCCC#N)C1 687795449 572214936 /nfs/dbraw/zinc/21/49/36/572214936.db2.gz VZCCCOCVZOBYIH-NSHDSACASA-N 1 1 195.310 1.174 10 30 ADEEMO C[C@@H]1CN(CCCC#N)CC[N@@H+](C)C1 687795449 572214930 /nfs/dbraw/zinc/21/49/30/572214930.db2.gz VZCCCOCVZOBYIH-NSHDSACASA-N 1 1 195.310 1.174 10 30 ADEEMO C[C@H]1CN(C)CC[N@H+](CCCC#N)C1 687795449 572214933 /nfs/dbraw/zinc/21/49/33/572214933.db2.gz VZCCCOCVZOBYIH-NSHDSACASA-N 1 1 195.310 1.174 10 30 ADEEMO C[C@H]1CN(CCCC#N)CC[N@@H+](C)C1 687795448 572214950 /nfs/dbraw/zinc/21/49/50/572214950.db2.gz VZCCCOCVZOBYIH-LLVKDONJSA-N 1 1 195.310 1.174 10 30 ADEEMO C[C@@H]1CN(C)CC[N@H+](CCCC#N)C1 687795448 572214952 /nfs/dbraw/zinc/21/49/52/572214952.db2.gz VZCCCOCVZOBYIH-LLVKDONJSA-N 1 1 195.310 1.174 10 30 ADEEMO C[C@@H]1CN(C)CC[N@@H+](CCCC#N)C1 687795448 572214954 /nfs/dbraw/zinc/21/49/54/572214954.db2.gz VZCCCOCVZOBYIH-LLVKDONJSA-N 1 1 195.310 1.174 10 30 ADEEMO CCC[N@@H+](CC=O)CC1CC1 43803454 572217676 /nfs/dbraw/zinc/21/76/76/572217676.db2.gz NWZSLRKIYGOMMU-UHFFFAOYSA-N 1 1 155.241 1.307 10 30 ADEEMO CCCC[N@@H+](CC)CC=O 43803126 572215487 /nfs/dbraw/zinc/21/54/87/572215487.db2.gz SISFIWUSRBSVIB-UHFFFAOYSA-N 1 1 143.230 1.307 10 30 ADEEMO COCC#CC[N@H+](C)Cc1ccc[nH]1 687795463 572215594 /nfs/dbraw/zinc/21/55/94/572215594.db2.gz IPUWSBRRKFYJPC-UHFFFAOYSA-N 1 1 192.262 1.096 10 30 ADEEMO COCC#CC[N@@H+](C)Cc1ccc[nH]1 687795463 572215596 /nfs/dbraw/zinc/21/55/96/572215596.db2.gz IPUWSBRRKFYJPC-UHFFFAOYSA-N 1 1 192.262 1.096 10 30 ADEEMO C=CC[NH2+][C@@H]1CCC[N@H+](CC)CC1 83421354 572218084 /nfs/dbraw/zinc/21/80/84/572218084.db2.gz QBBNJEUKFCXULA-LLVKDONJSA-N 1 1 182.311 1.636 10 30 ADEEMO C[C@H]([N@@H+](C)CC=O)C(C)(C)C 43803577 572216184 /nfs/dbraw/zinc/21/61/84/572216184.db2.gz NNCLVBDNAKSASC-QMMMGPOBSA-N 1 1 157.257 1.552 10 30 ADEEMO CC[C@H](CC#N)[NH+]1CCC(O)CC1 36677403 572218110 /nfs/dbraw/zinc/21/81/10/572218110.db2.gz PSSYRVREJBBRHH-SECBINFHSA-N 1 1 182.267 1.135 10 30 ADEEMO C[C@H]1CCC[C@H]([N@@H+](C)CC=O)C1 43803471 572216391 /nfs/dbraw/zinc/21/63/91/572216391.db2.gz VOBTYVIEJHZXFO-UWVGGRQHSA-N 1 1 169.268 1.696 10 30 ADEEMO C=CC[NH2+][C@H]1CCC[N@H+](CC)CC1 83421352 572216956 /nfs/dbraw/zinc/21/69/56/572216956.db2.gz QBBNJEUKFCXULA-NSHDSACASA-N 1 1 182.311 1.636 10 30 ADEEMO CC(C)[C@@H](C)[N@@H+](C)CC=O 43803315 572217056 /nfs/dbraw/zinc/21/70/56/572217056.db2.gz ZTIKHUKJGYQXFS-MRVPVSSYSA-N 1 1 143.230 1.162 10 30 ADEEMO C=C(C)CC[NH2+][C@H](CN)c1ccco1 687796432 572217102 /nfs/dbraw/zinc/21/71/02/572217102.db2.gz OTQHHQDHCCNQGN-SNVBAGLBSA-N 1 1 194.278 1.835 10 30 ADEEMO C#CC[NH2+][C@H]1CCC[N@H+](CCC)CC1 83421346 572217122 /nfs/dbraw/zinc/21/71/22/572217122.db2.gz HRNWRQFSTPSLLS-LBPRGKRZSA-N 1 1 194.322 1.474 10 30 ADEEMO C#CCN[C@H]1CCC[N@@H+](CCC)CC1 83421346 572217123 /nfs/dbraw/zinc/21/71/23/572217123.db2.gz HRNWRQFSTPSLLS-LBPRGKRZSA-N 1 1 194.322 1.474 10 30 ADEEMO C#CCN[C@H]1CCC[N@H+](CCC)CC1 83421346 572217124 /nfs/dbraw/zinc/21/71/24/572217124.db2.gz HRNWRQFSTPSLLS-LBPRGKRZSA-N 1 1 194.322 1.474 10 30 ADEEMO C=C(C)CC[NH2+][C@@H](CN)c1ccco1 687796431 572217327 /nfs/dbraw/zinc/21/73/27/572217327.db2.gz OTQHHQDHCCNQGN-JTQLQIEISA-N 1 1 194.278 1.835 10 30 ADEEMO C[C@H]1CCC[N@H+](C[C@@H](C)/C(N)=N/O)C1 36677835 572217729 /nfs/dbraw/zinc/21/77/29/572217729.db2.gz VUUVLEBRIWKGNH-DTWKUNHWSA-N 1 1 199.298 1.101 10 30 ADEEMO CN(CCC#N)c1cc[nH+]cc1N 20370444 572217766 /nfs/dbraw/zinc/21/77/66/572217766.db2.gz ULMFMVLPWSLYGE-UHFFFAOYSA-N 1 1 176.223 1.014 10 30 ADEEMO C[C@@H]1CCC[N@H+](C[C@@H](C)/C(N)=N/O)C1 36677834 572217822 /nfs/dbraw/zinc/21/78/22/572217822.db2.gz VUUVLEBRIWKGNH-RKDXNWHRSA-N 1 1 199.298 1.101 10 30 ADEEMO C[C@H]1CCC[C@@H]([N@@H+](C)CC=O)C1 43803475 572217928 /nfs/dbraw/zinc/21/79/28/572217928.db2.gz VOBTYVIEJHZXFO-VHSXEESVSA-N 1 1 169.268 1.696 10 30 ADEEMO CC(C)[C@H](C)[N@@H+](C)CC=O 43803318 572218252 /nfs/dbraw/zinc/21/82/52/572218252.db2.gz ZTIKHUKJGYQXFS-QMMMGPOBSA-N 1 1 143.230 1.162 10 30 ADEEMO C[C@H]1CCCC[N@@H+]1C[C@@H](C)/C(N)=N/O 36677798 572218322 /nfs/dbraw/zinc/21/83/22/572218322.db2.gz DWELMXNPQQSIBW-BDAKNGLRSA-N 1 1 199.298 1.243 10 30 ADEEMO CO[C@H]1CC[N@@H+](CCC=O)[C@H](C)C1 300982363 572218398 /nfs/dbraw/zinc/21/83/98/572218398.db2.gz YUIDLOMHEIJTLM-ZJUUUORDSA-N 1 1 185.267 1.075 10 30 ADEEMO CC[C@H](C)C[N@@H+](C)CC=O 43803295 572218586 /nfs/dbraw/zinc/21/85/86/572218586.db2.gz DYOGFJHWHZSRJT-QMMMGPOBSA-N 1 1 143.230 1.163 10 30 ADEEMO C[N@@H+](CC=O)C1CCCCCC1 43803348 572218846 /nfs/dbraw/zinc/21/88/46/572218846.db2.gz DLMLEJPNJDKKJE-UHFFFAOYSA-N 1 1 169.268 1.840 10 30 ADEEMO CO[C@@H]1CC[N@@H+](CCC=O)[C@@H](C)C1 300982361 572218863 /nfs/dbraw/zinc/21/88/63/572218863.db2.gz YUIDLOMHEIJTLM-VHSXEESVSA-N 1 1 185.267 1.075 10 30 ADEEMO CC(C)CC[N@@H+](C)CC=O 43803421 572218896 /nfs/dbraw/zinc/21/88/96/572218896.db2.gz IGIUVWMUWFMTIL-UHFFFAOYSA-N 1 1 143.230 1.163 10 30 ADEEMO C=C(C)CC[NH2+][C@H](CN)c1ccoc1 687796458 572219053 /nfs/dbraw/zinc/21/90/53/572219053.db2.gz WNOMPKMLIMXLPU-LLVKDONJSA-N 1 1 194.278 1.835 10 30 ADEEMO C[C@@H]1CCC[C@H]([N@@H+](C)CC=O)C1 43803468 572219062 /nfs/dbraw/zinc/21/90/62/572219062.db2.gz VOBTYVIEJHZXFO-ZJUUUORDSA-N 1 1 169.268 1.696 10 30 ADEEMO CO[C@H]1CC[N@@H+](CCC=O)[C@@H](C)C1 300982359 572219300 /nfs/dbraw/zinc/21/93/00/572219300.db2.gz YUIDLOMHEIJTLM-UWVGGRQHSA-N 1 1 185.267 1.075 10 30 ADEEMO CCCCC[N@@H+](C)CC=O 43803289 572219327 /nfs/dbraw/zinc/21/93/27/572219327.db2.gz TWPHJKSBNDOSSQ-UHFFFAOYSA-N 1 1 143.230 1.307 10 30 ADEEMO C[C@@H]1CCC[C@@H]([N@@H+](C)CC=O)C1 43803473 572219475 /nfs/dbraw/zinc/21/94/75/572219475.db2.gz VOBTYVIEJHZXFO-NXEZZACHSA-N 1 1 169.268 1.696 10 30 ADEEMO CC[C@@H](C)C[N@@H+](C)CC=O 43803292 572219509 /nfs/dbraw/zinc/21/95/09/572219509.db2.gz DYOGFJHWHZSRJT-MRVPVSSYSA-N 1 1 143.230 1.163 10 30 ADEEMO C=C[C@@H](C)[NH2+]C[C@H]1CCN(C2CC2)C1 235198288 572219755 /nfs/dbraw/zinc/21/97/55/572219755.db2.gz PSXXUSZNJXDKDY-GHMZBOCLSA-N 1 1 194.322 1.635 10 30 ADEEMO C[C@H](C[N@H+]1CCCC[C@H]1C)/C(N)=N/O 36677797 572219773 /nfs/dbraw/zinc/21/97/73/572219773.db2.gz DWELMXNPQQSIBW-RKDXNWHRSA-N 1 1 199.298 1.243 10 30 ADEEMO C=C(C)CC[NH2+][C@@H](CN)c1ccoc1 687796459 572219949 /nfs/dbraw/zinc/21/99/49/572219949.db2.gz WNOMPKMLIMXLPU-NSHDSACASA-N 1 1 194.278 1.835 10 30 ADEEMO C=C[C@@H](C)[NH2+]C[C@@H]1CCN(C)C1 235196838 572219967 /nfs/dbraw/zinc/21/99/67/572219967.db2.gz XTZYYKWALSYSFU-ZJUUUORDSA-N 1 1 168.284 1.102 10 30 ADEEMO CC[C@@H](CC#N)[NH+]1CCC(O)CC1 36677402 572219968 /nfs/dbraw/zinc/21/99/68/572219968.db2.gz PSSYRVREJBBRHH-VIFPVBQESA-N 1 1 182.267 1.135 10 30 ADEEMO CC(C)[C@@H](C)[N@@H+](C)C[C@@H]1CO1 36787253 572220399 /nfs/dbraw/zinc/22/03/99/572220399.db2.gz FACFDNOWQYMIJA-RKDXNWHRSA-N 1 1 157.257 1.362 10 30 ADEEMO C#C[C@H](C(C)C)[N@H+]1CCN[C@H](CC)C1 300716845 572220879 /nfs/dbraw/zinc/22/08/79/572220879.db2.gz GVHJOCYXWCMMFS-VXGBXAGGSA-N 1 1 194.322 1.328 10 30 ADEEMO C#C[C@H](C(C)C)[N@@H+]1CCN[C@H](CC)C1 300716845 572220881 /nfs/dbraw/zinc/22/08/81/572220881.db2.gz GVHJOCYXWCMMFS-VXGBXAGGSA-N 1 1 194.322 1.328 10 30 ADEEMO C#C[C@H](C(C)C)[N@@H+]1C[C@H](C)NC[C@@H]1C 300717667 572220968 /nfs/dbraw/zinc/22/09/68/572220968.db2.gz VDVRFCHYJRMYHV-SDDRHHMPSA-N 1 1 194.322 1.326 10 30 ADEEMO C#C[C@H](C(C)C)[N@H+]1C[C@H](C)NC[C@@H]1C 300717667 572220969 /nfs/dbraw/zinc/22/09/69/572220969.db2.gz VDVRFCHYJRMYHV-SDDRHHMPSA-N 1 1 194.322 1.326 10 30 ADEEMO C#C[C@H](C(C)C)[N@H+]1CCN[C@@H](CC)C1 300716843 572223109 /nfs/dbraw/zinc/22/31/09/572223109.db2.gz GVHJOCYXWCMMFS-NWDGAFQWSA-N 1 1 194.322 1.328 10 30 ADEEMO C[N@H+]1CCC[C@H]1CCC=O 43875616 572222241 /nfs/dbraw/zinc/22/22/41/572222241.db2.gz WCFFUQMEJZBVAC-QMMMGPOBSA-N 1 1 141.214 1.060 10 30 ADEEMO CC(C)[C@H](C)[N@@H+](C)C[C@@H]1CO1 36787254 572222411 /nfs/dbraw/zinc/22/24/11/572222411.db2.gz FACFDNOWQYMIJA-DTWKUNHWSA-N 1 1 157.257 1.362 10 30 ADEEMO C[N@H+]1CCC[C@@H]1CCC=O 43875613 572222427 /nfs/dbraw/zinc/22/24/27/572222427.db2.gz WCFFUQMEJZBVAC-MRVPVSSYSA-N 1 1 141.214 1.060 10 30 ADEEMO C[C@H](C1CC1)[N@@H+](C)C[C@@H]1CO1 36785267 572222927 /nfs/dbraw/zinc/22/29/27/572222927.db2.gz XLIWTRVEIVHFJW-VXNVDRBHSA-N 1 1 155.241 1.116 10 30 ADEEMO C#C[C@H](C(C)C)[N@@H+]1CCN[C@@H](CC)C1 300716843 572223115 /nfs/dbraw/zinc/22/31/15/572223115.db2.gz GVHJOCYXWCMMFS-NWDGAFQWSA-N 1 1 194.322 1.328 10 30 ADEEMO C#CCC[N@H+]1C[C@@H]2CCC[C@@H]21 687797546 572223769 /nfs/dbraw/zinc/22/37/69/572223769.db2.gz OGHDOGSHVSQSRZ-UWVGGRQHSA-N 1 1 149.237 1.494 10 30 ADEEMO O=CCC[N@H+]1CC[C@H](C2CC2)C1 400053231 572224059 /nfs/dbraw/zinc/22/40/59/572224059.db2.gz VLOMPRWESFZRLN-JTQLQIEISA-N 1 1 167.252 1.307 10 30 ADEEMO C[C@H]1CC(C)(C)[N@H+]1CCC#N 687797542 572224773 /nfs/dbraw/zinc/22/47/73/572224773.db2.gz MCKJILFOMLEFIR-QMMMGPOBSA-N 1 1 152.241 1.773 10 30 ADEEMO C#CCC[N@H+]1C[C@H]2CCC[C@H]21 687797545 572224805 /nfs/dbraw/zinc/22/48/05/572224805.db2.gz OGHDOGSHVSQSRZ-NXEZZACHSA-N 1 1 149.237 1.494 10 30 ADEEMO CC[C@H]1C[N@@H+](C)CCCN1[C@@H](C)C#N 234113949 572225493 /nfs/dbraw/zinc/22/54/93/572225493.db2.gz HDYJSTBRAZVMLS-QWRGUYRKSA-N 1 1 195.310 1.315 10 30 ADEEMO O=CCC[N@H+]1CC[C@@H](C2CC2)C1 400053232 572225554 /nfs/dbraw/zinc/22/55/54/572225554.db2.gz VLOMPRWESFZRLN-SNVBAGLBSA-N 1 1 167.252 1.307 10 30 ADEEMO C[C@@H](CO)[N@@H+](C)CC#CC(C)(C)C 300723440 572225892 /nfs/dbraw/zinc/22/58/92/572225892.db2.gz CLOGWTRSZOOGJL-JTQLQIEISA-N 1 1 183.295 1.349 10 30 ADEEMO C=CC[N@H+]1CC[C@@H](N)[C@]1(C)C1(C)CC1 711984643 572225910 /nfs/dbraw/zinc/22/59/10/572225910.db2.gz MTVQMEFKFMYACE-ZYHUDNBSSA-N 1 1 194.322 1.764 10 30 ADEEMO C=CC[N@@H+]1CC[C@@H](N)[C@]1(C)C1(C)CC1 711984643 572225911 /nfs/dbraw/zinc/22/59/11/572225911.db2.gz MTVQMEFKFMYACE-ZYHUDNBSSA-N 1 1 194.322 1.764 10 30 ADEEMO C1CC[C@H]2C[N@@H+](C[C@@H]3CO3)CC[C@@H]2C1 36809915 572226014 /nfs/dbraw/zinc/22/60/14/572226014.db2.gz UHFJDGYACZZOAO-SDDRHHMPSA-N 1 1 195.306 1.897 10 30 ADEEMO C#CCC[N@H+]1C[C@H]2CCC[C@@H]21 687797548 572226020 /nfs/dbraw/zinc/22/60/20/572226020.db2.gz OGHDOGSHVSQSRZ-ZJUUUORDSA-N 1 1 149.237 1.494 10 30 ADEEMO C#CC[N@@H+]1CC[C@@H](OC)C[C@H]1C 300752083 572226031 /nfs/dbraw/zinc/22/60/31/572226031.db2.gz HLLMMBDJPXILMI-NXEZZACHSA-N 1 1 167.252 1.119 10 30 ADEEMO C=CC[N@H+]1CC[C@@H](N)[C@@]1(C)C1(C)CC1 711984505 572226458 /nfs/dbraw/zinc/22/64/58/572226458.db2.gz MTVQMEFKFMYACE-PWSUYJOCSA-N 1 1 194.322 1.764 10 30 ADEEMO C=CC[N@@H+]1CC[C@@H](N)[C@@]1(C)C1(C)CC1 711984505 572226460 /nfs/dbraw/zinc/22/64/60/572226460.db2.gz MTVQMEFKFMYACE-PWSUYJOCSA-N 1 1 194.322 1.764 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@H+](C)C[C@@H]1C[C@H]1C 300990393 572227094 /nfs/dbraw/zinc/22/70/94/572227094.db2.gz FRFMVNFTCBJVIG-KXUCPTDWSA-N 1 1 197.278 1.302 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@@H+](C)C[C@@H]1C[C@H]1C 300990393 572227095 /nfs/dbraw/zinc/22/70/95/572227095.db2.gz FRFMVNFTCBJVIG-KXUCPTDWSA-N 1 1 197.278 1.302 10 30 ADEEMO C[C@@H](CC#N)[N@@H+](C)CC1(O)CCC1 687713378 572227614 /nfs/dbraw/zinc/22/76/14/572227614.db2.gz MPRGHNUCNBJCKY-VIFPVBQESA-N 1 1 182.267 1.135 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@H+](C)C[C@@H]1C[C@@H]1C 300990394 572227776 /nfs/dbraw/zinc/22/77/76/572227776.db2.gz FRFMVNFTCBJVIG-LPEHRKFASA-N 1 1 197.278 1.302 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@@H+](C)C[C@@H]1C[C@@H]1C 300990394 572227779 /nfs/dbraw/zinc/22/77/79/572227779.db2.gz FRFMVNFTCBJVIG-LPEHRKFASA-N 1 1 197.278 1.302 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@H+](C)C[C@H]1C[C@H]1C 300990395 572228396 /nfs/dbraw/zinc/22/83/96/572228396.db2.gz FRFMVNFTCBJVIG-OPRDCNLKSA-N 1 1 197.278 1.302 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@@H+](C)C[C@H]1C[C@H]1C 300990395 572228400 /nfs/dbraw/zinc/22/84/00/572228400.db2.gz FRFMVNFTCBJVIG-OPRDCNLKSA-N 1 1 197.278 1.302 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@H+](C)C[C@H]1C[C@@H]1C 300990392 572228425 /nfs/dbraw/zinc/22/84/25/572228425.db2.gz FRFMVNFTCBJVIG-IVZWLZJFSA-N 1 1 197.278 1.302 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@@H+](C)C[C@H]1C[C@@H]1C 300990392 572228428 /nfs/dbraw/zinc/22/84/28/572228428.db2.gz FRFMVNFTCBJVIG-IVZWLZJFSA-N 1 1 197.278 1.302 10 30 ADEEMO C[C@H](CC#N)[N@@H+](C)CC1(O)CCC1 687713377 572228444 /nfs/dbraw/zinc/22/84/44/572228444.db2.gz MPRGHNUCNBJCKY-SECBINFHSA-N 1 1 182.267 1.135 10 30 ADEEMO C#CCC[N@H+]1CCC12CCC2 687797676 572228515 /nfs/dbraw/zinc/22/85/15/572228515.db2.gz LOWDCPUQUIGVTO-UHFFFAOYSA-N 1 1 149.237 1.638 10 30 ADEEMO C[C@@H]1CC(C)(C)[N@H+]1CCC#N 687797541 572228528 /nfs/dbraw/zinc/22/85/28/572228528.db2.gz MCKJILFOMLEFIR-MRVPVSSYSA-N 1 1 152.241 1.773 10 30 ADEEMO C#CCC[N@@H+]1CCCC[C@H](CO)C1 687713602 572230255 /nfs/dbraw/zinc/23/02/55/572230255.db2.gz NQLRFDSTHRVDSK-NSHDSACASA-N 1 1 181.279 1.104 10 30 ADEEMO CC(C)(C)C#CCN1CC[C@@H](C[NH3+])C1 300758926 572230347 /nfs/dbraw/zinc/23/03/47/572230347.db2.gz NGEIRNSAEHGSDU-NSHDSACASA-N 1 1 194.322 1.317 10 30 ADEEMO C#CCC[N@@H+](CC=C)CCOC 393366252 572230558 /nfs/dbraw/zinc/23/05/58/572230558.db2.gz DXSKDXPHMQFBFY-UHFFFAOYSA-N 1 1 167.252 1.144 10 30 ADEEMO CC[N@@H+]1CC=C(CC#N)CC1 113175409 572230638 /nfs/dbraw/zinc/23/06/38/572230638.db2.gz QYAOIBUITNPKKS-UHFFFAOYSA-N 1 1 150.225 1.552 10 30 ADEEMO C[N@H+](CCC#N)CCC[C@@H]1CCCO1 83526979 572231222 /nfs/dbraw/zinc/23/12/22/572231222.db2.gz NNVOPRNBEUJDQU-LLVKDONJSA-N 1 1 196.294 1.791 10 30 ADEEMO C#CCC[N@@H+]1CCCC[C@@H](CO)C1 687713601 572231231 /nfs/dbraw/zinc/23/12/31/572231231.db2.gz NQLRFDSTHRVDSK-LLVKDONJSA-N 1 1 181.279 1.104 10 30 ADEEMO C[N@H+](CCC#N)CCC[C@H]1CCCO1 83526980 572231374 /nfs/dbraw/zinc/23/13/74/572231374.db2.gz NNVOPRNBEUJDQU-NSHDSACASA-N 1 1 196.294 1.791 10 30 ADEEMO C#CCC[N@@H+](CC#C)C1CCCC1 687713656 572231947 /nfs/dbraw/zinc/23/19/47/572231947.db2.gz JFTDAHHESSRYEN-UHFFFAOYSA-N 1 1 175.275 1.888 10 30 ADEEMO C#C[C@H](C(C)C)[N@@H+]1C[C@H](C)NC[C@H]1C 300717666 572232275 /nfs/dbraw/zinc/23/22/75/572232275.db2.gz VDVRFCHYJRMYHV-QJPTWQEYSA-N 1 1 194.322 1.326 10 30 ADEEMO C#C[C@H](C(C)C)[N@H+]1C[C@H](C)NC[C@H]1C 300717666 572232277 /nfs/dbraw/zinc/23/22/77/572232277.db2.gz VDVRFCHYJRMYHV-QJPTWQEYSA-N 1 1 194.322 1.326 10 30 ADEEMO C=C[C@@H](C)[NH2+]C[C@H]1CCCCN1 235204617 572233670 /nfs/dbraw/zinc/23/36/70/572233670.db2.gz SAWVAUIUBBIDSM-NXEZZACHSA-N 1 1 168.284 1.293 10 30 ADEEMO C#CC[N@H+](CCOC)[C@@H](C)C1CC1 42251062 572234428 /nfs/dbraw/zinc/23/44/28/572234428.db2.gz XPJQTPATDYNIOW-JTQLQIEISA-N 1 1 181.279 1.367 10 30 ADEEMO CC[C@H](C)[N@H+](CCC#N)CCOC 42247838 572234462 /nfs/dbraw/zinc/23/44/62/572234462.db2.gz JCMDWOODKXWETD-JTQLQIEISA-N 1 1 184.283 1.647 10 30 ADEEMO CC[N@@H+](CCCC#N)[C@@H](C)COC 42252380 572234546 /nfs/dbraw/zinc/23/45/46/572234546.db2.gz CUJXSGVAFRIVED-JTQLQIEISA-N 1 1 184.283 1.647 10 30 ADEEMO C#CC[N@H+](CCC)CC1CC1 42223094 572234624 /nfs/dbraw/zinc/23/46/24/572234624.db2.gz BFZMMDQIFPXIJL-UHFFFAOYSA-N 1 1 151.253 1.742 10 30 ADEEMO COCC[N@@H+](CCC#N)[C@@H](C)C1CC1 42247879 572234650 /nfs/dbraw/zinc/23/46/50/572234650.db2.gz DMGUOXOPNMYQTM-JTQLQIEISA-N 1 1 196.294 1.647 10 30 ADEEMO CC[C@@H](C)[N@H+](CCC#N)CCOC 42247834 572234677 /nfs/dbraw/zinc/23/46/77/572234677.db2.gz JCMDWOODKXWETD-SNVBAGLBSA-N 1 1 184.283 1.647 10 30 ADEEMO C=C[C@@H](C)[NH2+]CC(C)(C)CN(C)C 235205316 572234696 /nfs/dbraw/zinc/23/46/96/572234696.db2.gz NVWBHPMRQCMOQX-SNVBAGLBSA-N 1 1 184.327 1.738 10 30 ADEEMO C#CC[N@H+](CCOC)[C@H](C)C1CC1 42251067 572234746 /nfs/dbraw/zinc/23/47/46/572234746.db2.gz XPJQTPATDYNIOW-SNVBAGLBSA-N 1 1 181.279 1.367 10 30 ADEEMO C#CC[N@H+](CC)C[C@@H]1CCCO1 42470297 572235886 /nfs/dbraw/zinc/23/58/86/572235886.db2.gz CZUBJEMWOUMOCA-JTQLQIEISA-N 1 1 167.252 1.121 10 30 ADEEMO CC[N@@H+](CCCC#N)[C@H](C)COC 42252384 572234910 /nfs/dbraw/zinc/23/49/10/572234910.db2.gz CUJXSGVAFRIVED-SNVBAGLBSA-N 1 1 184.283 1.647 10 30 ADEEMO COCC[N@@H+](CCC#N)[C@H](C)C1CC1 42247883 572234955 /nfs/dbraw/zinc/23/49/55/572234955.db2.gz DMGUOXOPNMYQTM-SNVBAGLBSA-N 1 1 196.294 1.647 10 30 ADEEMO C[C@@]([NH3+])(C#N)CCSc1ncc[nH]1 235691452 572235146 /nfs/dbraw/zinc/23/51/46/572235146.db2.gz RLCRADHMUWIETD-QMMMGPOBSA-N 1 1 196.279 1.133 10 30 ADEEMO C[C@@]([NH3+])(C#N)CCSc1ncco1 235691574 572235913 /nfs/dbraw/zinc/23/59/13/572235913.db2.gz FEDWRBVJUHIQKR-QMMMGPOBSA-N 1 1 197.263 1.398 10 30 ADEEMO C#CC[N@H+](CC)C[C@H]1CCCO1 42470299 572235494 /nfs/dbraw/zinc/23/54/94/572235494.db2.gz CZUBJEMWOUMOCA-SNVBAGLBSA-N 1 1 167.252 1.121 10 30 ADEEMO C[C@H](C#N)C[N@H+](C)C1CC1 37081099 572235507 /nfs/dbraw/zinc/23/55/07/572235507.db2.gz UCUJWRGOKZONDR-SSDOTTSWSA-N 1 1 138.214 1.240 10 30 ADEEMO C[C@H](C#N)C[N@@H+](C)C1CC1 37081099 572235508 /nfs/dbraw/zinc/23/55/08/572235508.db2.gz UCUJWRGOKZONDR-SSDOTTSWSA-N 1 1 138.214 1.240 10 30 ADEEMO N#CCC[N@H+](CCO)C1CCCC1 42505824 572235584 /nfs/dbraw/zinc/23/55/84/572235584.db2.gz LOSXBSWDQWAKHR-UHFFFAOYSA-N 1 1 182.267 1.137 10 30 ADEEMO CCCC[N@@H+](CC/C(N)=N/O)C1CC1 42490431 572235696 /nfs/dbraw/zinc/23/56/96/572235696.db2.gz APQQZLOEMBFFLL-UHFFFAOYSA-N 1 1 199.298 1.387 10 30 ADEEMO N#CCCC[N@H+](CCO)C1CCCC1 42505819 572236055 /nfs/dbraw/zinc/23/60/55/572236055.db2.gz QMKAXMJKLZTASX-UHFFFAOYSA-N 1 1 196.294 1.527 10 30 ADEEMO CC[N@H+](C1CCCC1)[C@@H](C)/C(N)=N/O 43515995 572236567 /nfs/dbraw/zinc/23/65/67/572236567.db2.gz MJDDKJBORCMESQ-QMMMGPOBSA-N 1 1 199.298 1.386 10 30 ADEEMO C=CC[N@H+]1CC[C@@H](N)[C@@]1(C)C1CCC1 712014985 572236536 /nfs/dbraw/zinc/23/65/36/572236536.db2.gz CKSICKGVVDGWGN-VXGBXAGGSA-N 1 1 194.322 1.764 10 30 ADEEMO C=CC[N@@H+]1CC[C@@H](N)[C@@]1(C)C1CCC1 712014985 572236537 /nfs/dbraw/zinc/23/65/37/572236537.db2.gz CKSICKGVVDGWGN-VXGBXAGGSA-N 1 1 194.322 1.764 10 30 ADEEMO C=CCN1CC[C@@H]([NH3+])[C@@]1(C)C1CCC1 712014985 572236539 /nfs/dbraw/zinc/23/65/39/572236539.db2.gz CKSICKGVVDGWGN-VXGBXAGGSA-N 1 1 194.322 1.764 10 30 ADEEMO CC[N@H+](C1CCCC1)[C@H](C)/C(N)=N/O 43515996 572237437 /nfs/dbraw/zinc/23/74/37/572237437.db2.gz MJDDKJBORCMESQ-MRVPVSSYSA-N 1 1 199.298 1.386 10 30 ADEEMO CC[C@H]1CCC[N@@H+]1[C@@H](CC)/C(N)=N/O 43539977 572237787 /nfs/dbraw/zinc/23/77/87/572237787.db2.gz LTADRWCGCYEDIG-IUCAKERBSA-N 1 1 199.298 1.386 10 30 ADEEMO CCc1[nH+]ccn1[C@H](CC)/C(N)=N/O 43540746 572237891 /nfs/dbraw/zinc/23/78/91/572237891.db2.gz HJKMPLUWIKGLJV-SSDOTTSWSA-N 1 1 196.254 1.143 10 30 ADEEMO CCC[N@@H+](CC1CC1)[C@@H](C)/C(N)=N/O 43516220 572237924 /nfs/dbraw/zinc/23/79/24/572237924.db2.gz NRMFDDZSAQYSKU-QMMMGPOBSA-N 1 1 199.298 1.243 10 30 ADEEMO CCC[N@@H+](C(C)C)[C@@H](C)/C(N)=N/O 43515963 572237995 /nfs/dbraw/zinc/23/79/95/572237995.db2.gz JMMUQNQTLQAIEC-QMMMGPOBSA-N 1 1 187.287 1.242 10 30 ADEEMO CC[C@@H](C)[N@@H+](CC)[C@@H](C)/C(N)=N/O 43515975 572238006 /nfs/dbraw/zinc/23/80/06/572238006.db2.gz ZQPRIVDYWNCFJE-SFYZADRCSA-N 1 1 187.287 1.242 10 30 ADEEMO CC[N@@H+](CC(C)C)[C@@H](C)/C(N)=N/O 43515971 572238070 /nfs/dbraw/zinc/23/80/70/572238070.db2.gz RNFCDPPBIOHYBR-QMMMGPOBSA-N 1 1 187.287 1.099 10 30 ADEEMO CC[C@@H](C)C[N@@H+](C)[C@@H](C)/C(N)=N/O 43515977 572238262 /nfs/dbraw/zinc/23/82/62/572238262.db2.gz FOIIXFYGMZVJSM-SFYZADRCSA-N 1 1 187.287 1.099 10 30 ADEEMO CCC[N@@H+](C(C)C)[C@H](C)/C(N)=N/O 43515964 572238289 /nfs/dbraw/zinc/23/82/89/572238289.db2.gz JMMUQNQTLQAIEC-MRVPVSSYSA-N 1 1 187.287 1.242 10 30 ADEEMO CC(C)[C@H](C)[N@@H+](C)[C@@H](C)/C(N)=N/O 43516030 572238371 /nfs/dbraw/zinc/23/83/71/572238371.db2.gz IJOADUGXJORAHJ-YUMQZZPRSA-N 1 1 187.287 1.098 10 30 ADEEMO CCCC[N@@H+](CC)[C@H](C)/C(N)=N/O 43515835 572238431 /nfs/dbraw/zinc/23/84/31/572238431.db2.gz FVWRHRZYMSONNH-MRVPVSSYSA-N 1 1 187.287 1.243 10 30 ADEEMO CCC(CC)[N@@H+](C)[C@H](C)/C(N)=N/O 43516032 572238510 /nfs/dbraw/zinc/23/85/10/572238510.db2.gz IRJRJKULGFDTFC-SSDOTTSWSA-N 1 1 187.287 1.242 10 30 ADEEMO CC[N@@H+](CC(C)C)[C@H](C)/C(N)=N/O 43515972 572238968 /nfs/dbraw/zinc/23/89/68/572238968.db2.gz RNFCDPPBIOHYBR-MRVPVSSYSA-N 1 1 187.287 1.099 10 30 ADEEMO CC[C@@H](/C(N)=N/O)[N@H+]1CCC[C@H]1CC 43539976 572238976 /nfs/dbraw/zinc/23/89/76/572238976.db2.gz LTADRWCGCYEDIG-BDAKNGLRSA-N 1 1 199.298 1.386 10 30 ADEEMO CCC[N@@H+](CC1CC1)[C@H](C)/C(N)=N/O 43516221 572239197 /nfs/dbraw/zinc/23/91/97/572239197.db2.gz NRMFDDZSAQYSKU-MRVPVSSYSA-N 1 1 199.298 1.243 10 30 ADEEMO CCC(CC)[N@@H+](C)[C@@H](C)/C(N)=N/O 43516031 572239310 /nfs/dbraw/zinc/23/93/10/572239310.db2.gz IRJRJKULGFDTFC-ZETCQYMHSA-N 1 1 187.287 1.242 10 30 ADEEMO CC[C@H](C)C[N@@H+](C)[C@@H](C)/C(N)=N/O 43515978 572239370 /nfs/dbraw/zinc/23/93/70/572239370.db2.gz FOIIXFYGMZVJSM-YUMQZZPRSA-N 1 1 187.287 1.099 10 30 ADEEMO C=CCCC[NH2+]CCCN(C)C 70591428 572239407 /nfs/dbraw/zinc/23/94/07/572239407.db2.gz RVVHGIGEDBNGSS-UHFFFAOYSA-N 1 1 170.300 1.494 10 30 ADEEMO CC[C@H](C)[N@@H+](CC)[C@@H](C)/C(N)=N/O 43515976 572239439 /nfs/dbraw/zinc/23/94/39/572239439.db2.gz ZQPRIVDYWNCFJE-YUMQZZPRSA-N 1 1 187.287 1.242 10 30 ADEEMO C=CCC[NH2+]CCCN(C)C 70591427 572239687 /nfs/dbraw/zinc/23/96/87/572239687.db2.gz QWMNFCSOMUPIJG-UHFFFAOYSA-N 1 1 156.273 1.104 10 30 ADEEMO CCc1[nH+]ccn1[C@@H](CC)/C(N)=N/O 43540745 572239505 /nfs/dbraw/zinc/23/95/05/572239505.db2.gz HJKMPLUWIKGLJV-ZETCQYMHSA-N 1 1 196.254 1.143 10 30 ADEEMO C=CCCC[NH2+]C[C@@H]1CCN(C)C1 70591698 572239574 /nfs/dbraw/zinc/23/95/74/572239574.db2.gz NGLSIUMTLODADZ-NSHDSACASA-N 1 1 182.311 1.494 10 30 ADEEMO CC(C)[C@@H](C)[N@@H+](C)[C@@H](C)/C(N)=N/O 43516029 572239638 /nfs/dbraw/zinc/23/96/38/572239638.db2.gz IJOADUGXJORAHJ-SFYZADRCSA-N 1 1 187.287 1.098 10 30 ADEEMO CC[C@@H](/C(N)=N/O)[N@@H+](C)[C@@H](C)C1CC1 43539840 572239644 /nfs/dbraw/zinc/23/96/44/572239644.db2.gz WQMGMXCPISDFMI-CBAPKCEASA-N 1 1 199.298 1.242 10 30 ADEEMO C=CCC[NH2+]Cc1nc(C)no1 70591768 572239768 /nfs/dbraw/zinc/23/97/68/572239768.db2.gz IIGGRRTYMCTTCI-UHFFFAOYSA-N 1 1 167.212 1.044 10 30 ADEEMO C=CCC[NH2+]C[C@H]1CCN(C2CC2)C1 70591740 572239805 /nfs/dbraw/zinc/23/98/05/572239805.db2.gz QRIIJFBYUIDBPE-LLVKDONJSA-N 1 1 194.322 1.636 10 30 ADEEMO C=CCC[NH2+]C[C@@H]1CCN(C2CC2)C1 70591739 572239999 /nfs/dbraw/zinc/23/99/99/572239999.db2.gz QRIIJFBYUIDBPE-NSHDSACASA-N 1 1 194.322 1.636 10 30 ADEEMO C=CC[N@@H+]1CC[C@@H]([NH3+])[C@H]1C1CCCC1 712026741 572240003 /nfs/dbraw/zinc/24/00/03/572240003.db2.gz CPPCLAOXIDYBKB-VXGBXAGGSA-N 1 1 194.322 1.764 10 30 ADEEMO C=CCN1CC[C@@H]([NH3+])[C@H]1C1CCCC1 712026741 572240004 /nfs/dbraw/zinc/24/00/04/572240004.db2.gz CPPCLAOXIDYBKB-VXGBXAGGSA-N 1 1 194.322 1.764 10 30 ADEEMO C=CC[N@H+]1CC[C@@H](N)[C@H]1C1CCCC1 712026741 572240007 /nfs/dbraw/zinc/24/00/07/572240007.db2.gz CPPCLAOXIDYBKB-VXGBXAGGSA-N 1 1 194.322 1.764 10 30 ADEEMO C=CC[N@@H+]1CC[C@@H](N)[C@H]1C1CCCC1 712026741 572240008 /nfs/dbraw/zinc/24/00/08/572240008.db2.gz CPPCLAOXIDYBKB-VXGBXAGGSA-N 1 1 194.322 1.764 10 30 ADEEMO CC[C@H](/C(N)=N/O)[N@@H+](C)CC(C)C 43539729 572240163 /nfs/dbraw/zinc/24/01/63/572240163.db2.gz KLENXBMDRKFQEJ-MRVPVSSYSA-N 1 1 187.287 1.099 10 30 ADEEMO CCCC[N@@H+](C)[C@H](CC)/C(N)=N/O 43539431 572240192 /nfs/dbraw/zinc/24/01/92/572240192.db2.gz AHOVEVXWVPQAOY-MRVPVSSYSA-N 1 1 187.287 1.243 10 30 ADEEMO CC[C@H](/C(N)=N/O)[N@@H+](CC)C(C)C 43539687 572240403 /nfs/dbraw/zinc/24/04/03/572240403.db2.gz CNMKOYCVHSBGGZ-MRVPVSSYSA-N 1 1 187.287 1.242 10 30 ADEEMO C#CCC[N@@H+]1CCCSC1 687798393 572240432 /nfs/dbraw/zinc/24/04/32/572240432.db2.gz DDGNXDZGRNBALT-UHFFFAOYSA-N 1 1 155.266 1.406 10 30 ADEEMO C#CCC[N@H+]1CCCSC1 687798393 572240435 /nfs/dbraw/zinc/24/04/35/572240435.db2.gz DDGNXDZGRNBALT-UHFFFAOYSA-N 1 1 155.266 1.406 10 30 ADEEMO C=CCC[NH2+]C[C@@H]1CCN(C)C1 70591696 572240452 /nfs/dbraw/zinc/24/04/52/572240452.db2.gz KMNOKEOZVUIPRM-JTQLQIEISA-N 1 1 168.284 1.104 10 30 ADEEMO C=CCC[NH2+]CC(C)(C)CN(C)C 70591278 572240491 /nfs/dbraw/zinc/24/04/91/572240491.db2.gz NDZJVTCDVSSMBF-UHFFFAOYSA-N 1 1 184.327 1.740 10 30 ADEEMO CC(C)[N@@H+](CC1CC1)[C@H](C)/C(N)=N/O 43516336 572240559 /nfs/dbraw/zinc/24/05/59/572240559.db2.gz TXQNHFIBZJEVBY-MRVPVSSYSA-N 1 1 199.298 1.242 10 30 ADEEMO C=CCC[NH2+]C[C@H]1CCN(C)C1 70591695 572240668 /nfs/dbraw/zinc/24/06/68/572240668.db2.gz KMNOKEOZVUIPRM-SNVBAGLBSA-N 1 1 168.284 1.104 10 30 ADEEMO CCC[N@@H+](CC)[C@@H](CC)/C(N)=N/O 43539706 572240952 /nfs/dbraw/zinc/24/09/52/572240952.db2.gz ICRMSWNPSGASTE-QMMMGPOBSA-N 1 1 187.287 1.243 10 30 ADEEMO CC[C@@H](/C(N)=N/O)[N@@H+](C)CC(C)C 43539728 572241882 /nfs/dbraw/zinc/24/18/82/572241882.db2.gz KLENXBMDRKFQEJ-QMMMGPOBSA-N 1 1 187.287 1.099 10 30 ADEEMO CCCC[N@H+](C1CC1)[C@H](C)/C(N)=N/O 43516236 572241029 /nfs/dbraw/zinc/24/10/29/572241029.db2.gz DZSSPOQXFPXGAB-MRVPVSSYSA-N 1 1 199.298 1.386 10 30 ADEEMO CC[C@@H](/C(N)=N/O)[N@@H+](CC)C(C)C 43539686 572241090 /nfs/dbraw/zinc/24/10/90/572241090.db2.gz CNMKOYCVHSBGGZ-QMMMGPOBSA-N 1 1 187.287 1.242 10 30 ADEEMO CCCC[N@@H+](C)[C@@H](CC)/C(N)=N/O 43539430 572241114 /nfs/dbraw/zinc/24/11/14/572241114.db2.gz AHOVEVXWVPQAOY-QMMMGPOBSA-N 1 1 187.287 1.243 10 30 ADEEMO CCC[N@H+](C1CC1)[C@H](CC)/C(N)=N/O 43539719 572241139 /nfs/dbraw/zinc/24/11/39/572241139.db2.gz NIHBSTNOIYEGMW-SECBINFHSA-N 1 1 199.298 1.386 10 30 ADEEMO CC[C@@H](/C(N)=N/O)[N@@H+](C)C1CCCC1 43539702 572241142 /nfs/dbraw/zinc/24/11/42/572241142.db2.gz HWTCUEOPZKRUNM-VIFPVBQESA-N 1 1 199.298 1.386 10 30 ADEEMO CC(C)C[N@H+](C1CC1)[C@@H](C)/C(N)=N/O 43516321 572241389 /nfs/dbraw/zinc/24/13/89/572241389.db2.gz PVWGOUIMLFVADA-QMMMGPOBSA-N 1 1 199.298 1.242 10 30 ADEEMO CC(C)[N@@H+](CC1CC1)[C@@H](C)/C(N)=N/O 43516335 572241408 /nfs/dbraw/zinc/24/14/08/572241408.db2.gz TXQNHFIBZJEVBY-QMMMGPOBSA-N 1 1 199.298 1.242 10 30 ADEEMO C=CC[N@@H+]1CC[C@H]([NH3+])[C@H]1C1CCCC1 712026737 572241619 /nfs/dbraw/zinc/24/16/19/572241619.db2.gz CPPCLAOXIDYBKB-NWDGAFQWSA-N 1 1 194.322 1.764 10 30 ADEEMO C=CCN1CC[C@H]([NH3+])[C@H]1C1CCCC1 712026737 572241622 /nfs/dbraw/zinc/24/16/22/572241622.db2.gz CPPCLAOXIDYBKB-NWDGAFQWSA-N 1 1 194.322 1.764 10 30 ADEEMO C=CC[N@H+]1CC[C@H](N)[C@H]1C1CCCC1 712026737 572241623 /nfs/dbraw/zinc/24/16/23/572241623.db2.gz CPPCLAOXIDYBKB-NWDGAFQWSA-N 1 1 194.322 1.764 10 30 ADEEMO C=CC[N@@H+]1CC[C@H](N)[C@H]1C1CCCC1 712026737 572241625 /nfs/dbraw/zinc/24/16/25/572241625.db2.gz CPPCLAOXIDYBKB-NWDGAFQWSA-N 1 1 194.322 1.764 10 30 ADEEMO CCC[N@H+](C1CC1)[C@@H](CC)/C(N)=N/O 43539718 572241709 /nfs/dbraw/zinc/24/17/09/572241709.db2.gz NIHBSTNOIYEGMW-VIFPVBQESA-N 1 1 199.298 1.386 10 30 ADEEMO CCCC[N@H+](C1CC1)[C@@H](C)/C(N)=N/O 43516235 572241723 /nfs/dbraw/zinc/24/17/23/572241723.db2.gz DZSSPOQXFPXGAB-QMMMGPOBSA-N 1 1 199.298 1.386 10 30 ADEEMO C=CCCC[N@H+](C)[C@@H](C)[C@@H](C)C[NH3+] 220304446 572241730 /nfs/dbraw/zinc/24/17/30/572241730.db2.gz KGJWPVKCHHRRTI-QWRGUYRKSA-N 1 1 184.327 1.868 10 30 ADEEMO CC(C)C[N@H+](C1CC1)[C@H](C)/C(N)=N/O 43516322 572241851 /nfs/dbraw/zinc/24/18/51/572241851.db2.gz PVWGOUIMLFVADA-MRVPVSSYSA-N 1 1 199.298 1.242 10 30 ADEEMO CC[C@@H](/C(N)=N/O)[N@H+](C)[C@H](C)CC 43539732 572241931 /nfs/dbraw/zinc/24/19/31/572241931.db2.gz UPJPIIJLSQSXJG-SFYZADRCSA-N 1 1 187.287 1.242 10 30 ADEEMO CC(C)[C@@H](C)[N@@H+](C)CC[C@](C)(N)C#N 45180966 572243344 /nfs/dbraw/zinc/24/33/44/572243344.db2.gz PQBKNLOHFXHWNF-MNOVXSKESA-N 1 1 197.326 1.594 10 30 ADEEMO CCC[N@@H+](CC)[C@H](CC)/C(N)=N/O 43539707 572241967 /nfs/dbraw/zinc/24/19/67/572241967.db2.gz ICRMSWNPSGASTE-MRVPVSSYSA-N 1 1 187.287 1.243 10 30 ADEEMO C=CCN1CC[C@H]([NH3+])[C@@H]1C1CCCC1 712026738 572242036 /nfs/dbraw/zinc/24/20/36/572242036.db2.gz CPPCLAOXIDYBKB-RYUDHWBXSA-N 1 1 194.322 1.764 10 30 ADEEMO C=CC[N@H+]1CC[C@H](N)[C@@H]1C1CCCC1 712026738 572242037 /nfs/dbraw/zinc/24/20/37/572242037.db2.gz CPPCLAOXIDYBKB-RYUDHWBXSA-N 1 1 194.322 1.764 10 30 ADEEMO C=CC[N@@H+]1CC[C@H](N)[C@@H]1C1CCCC1 712026738 572242038 /nfs/dbraw/zinc/24/20/38/572242038.db2.gz CPPCLAOXIDYBKB-RYUDHWBXSA-N 1 1 194.322 1.764 10 30 ADEEMO C=CC[N@@H+]1CC[C@H]([NH3+])[C@@H]1C1CCCC1 712026738 572242035 /nfs/dbraw/zinc/24/20/35/572242035.db2.gz CPPCLAOXIDYBKB-RYUDHWBXSA-N 1 1 194.322 1.764 10 30 ADEEMO CC[C@H](C)[N@@H+](C)[C@@H](CC)/C(N)=N/O 43539733 572242042 /nfs/dbraw/zinc/24/20/42/572242042.db2.gz UPJPIIJLSQSXJG-YUMQZZPRSA-N 1 1 187.287 1.242 10 30 ADEEMO CC[N@@H+](C[C@H](C)C#N)[C@@H]1CCC[C@@H]1O 44413217 572242919 /nfs/dbraw/zinc/24/29/19/572242919.db2.gz VSVRCNBFXGRDDK-MXWKQRLJSA-N 1 1 196.294 1.381 10 30 ADEEMO CC(C)CC[N@@H+](C)[C@H](C)/C(N)=N/O 44427484 572242213 /nfs/dbraw/zinc/24/22/13/572242213.db2.gz MKRPFSXZHRYSDT-MRVPVSSYSA-N 1 1 187.287 1.099 10 30 ADEEMO CCC[C@@H](C)[N@@H+](C)CC[C@](C)(N)C#N 45181175 572243358 /nfs/dbraw/zinc/24/33/58/572243358.db2.gz HTIRSZONMVKSAL-MNOVXSKESA-N 1 1 197.326 1.738 10 30 ADEEMO CCC[C@H](C)[N@H+](C)C[C@](C)(N)C#N 45176400 572242335 /nfs/dbraw/zinc/24/23/35/572242335.db2.gz PNYDSKPGWKKEAA-VHSXEESVSA-N 1 1 183.299 1.348 10 30 ADEEMO CCC[C@H](C)[N@@H+](C)C[C@](C)(N)C#N 45176400 572242337 /nfs/dbraw/zinc/24/23/37/572242337.db2.gz PNYDSKPGWKKEAA-VHSXEESVSA-N 1 1 183.299 1.348 10 30 ADEEMO CC[C@@H](C)[N@@H+](CC)CC[C@](C)(N)C#N 45180363 572242397 /nfs/dbraw/zinc/24/23/97/572242397.db2.gz BWBLDSTYMVNJRR-MNOVXSKESA-N 1 1 197.326 1.738 10 30 ADEEMO CC[C@@H](C)[N@@H+](C)CC[C@](C)(N)C#N 45179867 572243369 /nfs/dbraw/zinc/24/33/69/572243369.db2.gz MWYOLDRUERSXCD-ZJUUUORDSA-N 1 1 183.299 1.348 10 30 ADEEMO CC[C@@H]1CCC[N@H+]1CC[C@](C)(N)C#N 45178127 572243371 /nfs/dbraw/zinc/24/33/71/572243371.db2.gz LJFAOHQSELQRMJ-MNOVXSKESA-N 1 1 195.310 1.492 10 30 ADEEMO C=C(Cl)C[NH2+][C@H](C)c1ccnn1C 235212353 572242445 /nfs/dbraw/zinc/24/24/45/572242445.db2.gz CILAHBTZLHMVRN-MRVPVSSYSA-N 1 1 199.685 1.823 10 30 ADEEMO CC(C)C[C@@H](C)[N@H+](C)C[C@](C)(N)C#N 45177678 572242609 /nfs/dbraw/zinc/24/26/09/572242609.db2.gz JJDNZYYNVYXPGG-GHMZBOCLSA-N 1 1 197.326 1.594 10 30 ADEEMO CC(C)C[C@@H](C)[N@@H+](C)C[C@](C)(N)C#N 45177678 572242610 /nfs/dbraw/zinc/24/26/10/572242610.db2.gz JJDNZYYNVYXPGG-GHMZBOCLSA-N 1 1 197.326 1.594 10 30 ADEEMO CC[C@@H](C)C[N@@H+](C)CC[C@](C)(N)C#N 45180709 572242640 /nfs/dbraw/zinc/24/26/40/572242640.db2.gz HJXDVUAHJAICMG-MNOVXSKESA-N 1 1 197.326 1.595 10 30 ADEEMO CCCCC[N@@H+](C)[C@@H](C)/C(N)=N/O 44427443 572242659 /nfs/dbraw/zinc/24/26/59/572242659.db2.gz OMKCSSFQVTWPPK-QMMMGPOBSA-N 1 1 187.287 1.243 10 30 ADEEMO CC[C@H](C)C[N@@H+](C)CC[C@](C)(N)C#N 45180711 572242673 /nfs/dbraw/zinc/24/26/73/572242673.db2.gz HJXDVUAHJAICMG-QWRGUYRKSA-N 1 1 197.326 1.595 10 30 ADEEMO CC(C)[C@H](C)[N@@H+](C)CC[C@](C)(N)C#N 45180968 572242685 /nfs/dbraw/zinc/24/26/85/572242685.db2.gz PQBKNLOHFXHWNF-QWRGUYRKSA-N 1 1 197.326 1.594 10 30 ADEEMO CC[C@@H](C)[N@@H+](CC)C[C@](C)(N)C#N 45175957 572242793 /nfs/dbraw/zinc/24/27/93/572242793.db2.gz NROQEFNRMXNRJM-NXEZZACHSA-N 1 1 183.299 1.348 10 30 ADEEMO CC(C)[C@H](C)[N@@H+](C)C[C@](C)(N)C#N 45176263 572242840 /nfs/dbraw/zinc/24/28/40/572242840.db2.gz SVLAPHWELRZQJN-VHSXEESVSA-N 1 1 183.299 1.204 10 30 ADEEMO CC[C@H]1CCC[N@H+]1CC[C@](C)(N)C#N 45178129 572242879 /nfs/dbraw/zinc/24/28/79/572242879.db2.gz LJFAOHQSELQRMJ-QWRGUYRKSA-N 1 1 195.310 1.492 10 30 ADEEMO CCC[N@@H+](C/C(N)=N/O)C1CCCC1 45092597 572242890 /nfs/dbraw/zinc/24/28/90/572242890.db2.gz KFQSCJQTLCTQEW-UHFFFAOYSA-N 1 1 199.298 1.387 10 30 ADEEMO N#CCC[N@@H+](C1CC1)[C@H]1CCC[C@@H]1O 44415027 572242912 /nfs/dbraw/zinc/24/29/12/572242912.db2.gz VQPOYSPRBHCMRU-QWRGUYRKSA-N 1 1 194.278 1.278 10 30 ADEEMO CCC[N@@H+](C/C(N)=N/O)[C@H](C)CC 45092636 572242990 /nfs/dbraw/zinc/24/29/90/572242990.db2.gz DJICKYKWTOSRFO-MRVPVSSYSA-N 1 1 187.287 1.243 10 30 ADEEMO CC[C@H](C)[N@@H+](C)CC[C@](C)(N)C#N 45179869 572243001 /nfs/dbraw/zinc/24/30/01/572243001.db2.gz MWYOLDRUERSXCD-UWVGGRQHSA-N 1 1 183.299 1.348 10 30 ADEEMO N#CCC[N@@H+](C1CC1)[C@H]1CCC[C@H]1O 44415025 572243085 /nfs/dbraw/zinc/24/30/85/572243085.db2.gz VQPOYSPRBHCMRU-WDEREUQCSA-N 1 1 194.278 1.278 10 30 ADEEMO C[C@@H](/C(N)=N/O)[N@@H+](C)CC1CCCC1 45144374 572243130 /nfs/dbraw/zinc/24/31/30/572243130.db2.gz JJSGUNFYXZDVES-QMMMGPOBSA-N 1 1 199.298 1.243 10 30 ADEEMO CCC[N@@H+](C/C(N)=N/O)[C@@H](C)CC 45092635 572243143 /nfs/dbraw/zinc/24/31/43/572243143.db2.gz DJICKYKWTOSRFO-QMMMGPOBSA-N 1 1 187.287 1.243 10 30 ADEEMO C[C@@H](/C(N)=N/O)[N@@H+](C)CC(C)(C)C 45074158 572243247 /nfs/dbraw/zinc/24/32/47/572243247.db2.gz SVJJYVFXVHWOCG-ZETCQYMHSA-N 1 1 187.287 1.099 10 30 ADEEMO CC[C@H](C)C[N@H+](C)C[C@](C)(N)C#N 45176102 572243266 /nfs/dbraw/zinc/24/32/66/572243266.db2.gz BLIAHKJCLUABAZ-VHSXEESVSA-N 1 1 183.299 1.205 10 30 ADEEMO CC[C@H](C)C[N@@H+](C)C[C@](C)(N)C#N 45176102 572243269 /nfs/dbraw/zinc/24/32/69/572243269.db2.gz BLIAHKJCLUABAZ-VHSXEESVSA-N 1 1 183.299 1.205 10 30 ADEEMO C[C@H]([N@H+](C)C[C@](C)(N)C#N)C(C)(C)C 45176888 572243392 /nfs/dbraw/zinc/24/33/92/572243392.db2.gz KJJNBASBSLWMQV-GXSJLCMTSA-N 1 1 197.326 1.594 10 30 ADEEMO C[C@H]([N@@H+](C)C[C@](C)(N)C#N)C(C)(C)C 45176888 572243393 /nfs/dbraw/zinc/24/33/93/572243393.db2.gz KJJNBASBSLWMQV-GXSJLCMTSA-N 1 1 197.326 1.594 10 30 ADEEMO N#CCC[N@@H+](C1CC1)[C@@H]1CCC[C@@H]1O 44415028 572243477 /nfs/dbraw/zinc/24/34/77/572243477.db2.gz VQPOYSPRBHCMRU-MNOVXSKESA-N 1 1 194.278 1.278 10 30 ADEEMO CC(C)C[C@H](C)[N@H+](C)C[C@](C)(N)C#N 45177680 572243517 /nfs/dbraw/zinc/24/35/17/572243517.db2.gz JJDNZYYNVYXPGG-WDEREUQCSA-N 1 1 197.326 1.594 10 30 ADEEMO CC(C)C[C@H](C)[N@@H+](C)C[C@](C)(N)C#N 45177680 572243523 /nfs/dbraw/zinc/24/35/23/572243523.db2.gz JJDNZYYNVYXPGG-WDEREUQCSA-N 1 1 197.326 1.594 10 30 ADEEMO CCCCC[N@@H+](C)[C@H](C)/C(N)=N/O 44427445 572243568 /nfs/dbraw/zinc/24/35/68/572243568.db2.gz OMKCSSFQVTWPPK-MRVPVSSYSA-N 1 1 187.287 1.243 10 30 ADEEMO CC[N@@H+](CCC#N)[C@@H]1CCC[C@@H]1O 44413352 572243576 /nfs/dbraw/zinc/24/35/76/572243576.db2.gz CGTNLVLFNCHPOZ-ZJUUUORDSA-N 1 1 182.267 1.135 10 30 ADEEMO CC[C@H](C)[N@@H+](CC)C[C@](C)(N)C#N 45175959 572243588 /nfs/dbraw/zinc/24/35/88/572243588.db2.gz NROQEFNRMXNRJM-VHSXEESVSA-N 1 1 183.299 1.348 10 30 ADEEMO CC[C@@H](C)C[N@H+](C)C[C@](C)(N)C#N 45176100 572243595 /nfs/dbraw/zinc/24/35/95/572243595.db2.gz BLIAHKJCLUABAZ-NXEZZACHSA-N 1 1 183.299 1.205 10 30 ADEEMO CC[C@@H](C)C[N@@H+](C)C[C@](C)(N)C#N 45176100 572243596 /nfs/dbraw/zinc/24/35/96/572243596.db2.gz BLIAHKJCLUABAZ-NXEZZACHSA-N 1 1 183.299 1.205 10 30 ADEEMO C[C@@H](C1CC1)[N@@H+](C)CC[C@](C)(N)C#N 45181038 572243607 /nfs/dbraw/zinc/24/36/07/572243607.db2.gz UULGNQKMGAKRJX-ONGXEEELSA-N 1 1 195.310 1.348 10 30 ADEEMO CCCC[N@@H+](CCC)C/C(N)=N/O 45092576 572243623 /nfs/dbraw/zinc/24/36/23/572243623.db2.gz SSNMLKHKTYLJCG-UHFFFAOYSA-N 1 1 187.287 1.245 10 30 ADEEMO CCC[N@H+](C/C(N)=N/O)CC(C)C 45092570 572243627 /nfs/dbraw/zinc/24/36/27/572243627.db2.gz KCMVEYQDMCANHP-UHFFFAOYSA-N 1 1 187.287 1.101 10 30 ADEEMO C[C@H](C1CC1)[N@@H+](C)CC[C@](C)(N)C#N 45181040 572243690 /nfs/dbraw/zinc/24/36/90/572243690.db2.gz UULGNQKMGAKRJX-KOLCDFICSA-N 1 1 195.310 1.348 10 30 ADEEMO CC(C)[C@@H](C)[N@@H+](C)C[C@](C)(N)C#N 45176261 572243671 /nfs/dbraw/zinc/24/36/71/572243671.db2.gz SVLAPHWELRZQJN-NXEZZACHSA-N 1 1 183.299 1.204 10 30 ADEEMO N#CCC[N@@H+](C1CC1)[C@@H]1CCC[C@H]1O 44415026 572243856 /nfs/dbraw/zinc/24/38/56/572243856.db2.gz VQPOYSPRBHCMRU-GHMZBOCLSA-N 1 1 194.278 1.278 10 30 ADEEMO CC(C)CC[N@@H+](C)[C@@H](C)/C(N)=N/O 44427482 572243881 /nfs/dbraw/zinc/24/38/81/572243881.db2.gz MKRPFSXZHRYSDT-QMMMGPOBSA-N 1 1 187.287 1.099 10 30 ADEEMO CCC[C@@H](C)[N@H+](C)C[C@](C)(N)C#N 45176398 572243920 /nfs/dbraw/zinc/24/39/20/572243920.db2.gz PNYDSKPGWKKEAA-NXEZZACHSA-N 1 1 183.299 1.348 10 30 ADEEMO CCC[C@@H](C)[N@@H+](C)C[C@](C)(N)C#N 45176398 572243921 /nfs/dbraw/zinc/24/39/21/572243921.db2.gz PNYDSKPGWKKEAA-NXEZZACHSA-N 1 1 183.299 1.348 10 30 ADEEMO CCC[C@H](C)[N@@H+](C)CC[C@](C)(N)C#N 45181177 572244023 /nfs/dbraw/zinc/24/40/23/572244023.db2.gz HTIRSZONMVKSAL-QWRGUYRKSA-N 1 1 197.326 1.738 10 30 ADEEMO CC[N@@H+](CCC#N)[C@H]1CCC[C@@H]1O 44413354 572244042 /nfs/dbraw/zinc/24/40/42/572244042.db2.gz CGTNLVLFNCHPOZ-UWVGGRQHSA-N 1 1 182.267 1.135 10 30 ADEEMO C[C@H](/C(N)=N/O)[N@@H+](C)CC(C)(C)C 45074159 572244063 /nfs/dbraw/zinc/24/40/63/572244063.db2.gz SVJJYVFXVHWOCG-SSDOTTSWSA-N 1 1 187.287 1.099 10 30 ADEEMO C[C@@H]([N@H+](C)C[C@](C)(N)C#N)C(C)(C)C 45176890 572244092 /nfs/dbraw/zinc/24/40/92/572244092.db2.gz KJJNBASBSLWMQV-MWLCHTKSSA-N 1 1 197.326 1.594 10 30 ADEEMO C[C@@H]([N@@H+](C)C[C@](C)(N)C#N)C(C)(C)C 45176890 572244093 /nfs/dbraw/zinc/24/40/93/572244093.db2.gz KJJNBASBSLWMQV-MWLCHTKSSA-N 1 1 197.326 1.594 10 30 ADEEMO C[N@@H+](CC/C(N)=N/O)CC(C)(C)C 45074147 572244143 /nfs/dbraw/zinc/24/41/43/572244143.db2.gz UFKZRQIAWPFPPQ-UHFFFAOYSA-N 1 1 187.287 1.101 10 30 ADEEMO C[C@H](/C(N)=N/O)[N@@H+](C)CC1CCCC1 45144376 572244155 /nfs/dbraw/zinc/24/41/55/572244155.db2.gz JJSGUNFYXZDVES-MRVPVSSYSA-N 1 1 199.298 1.243 10 30 ADEEMO CC[C@H](C)[N@@H+](CC)CC[C@](C)(N)C#N 45180366 572244249 /nfs/dbraw/zinc/24/42/49/572244249.db2.gz BWBLDSTYMVNJRR-QWRGUYRKSA-N 1 1 197.326 1.738 10 30 ADEEMO CC[C@H](C)[N@@H+](C)CCC[C@](C)(N)C#N 45308704 572245475 /nfs/dbraw/zinc/24/54/75/572245475.db2.gz CSCANSVEFAEOSG-QWRGUYRKSA-N 1 1 197.326 1.738 10 30 ADEEMO C[C@H]1CC[N@@H+](CCC[C@](C)(N)C#N)C1 45313207 572244461 /nfs/dbraw/zinc/24/44/61/572244461.db2.gz YLWNMGRNBLQIFV-QWRGUYRKSA-N 1 1 195.310 1.349 10 30 ADEEMO C=CC[N@H+](C)[C@@H](C)C1CC1 21404903 572244570 /nfs/dbraw/zinc/24/45/70/572244570.db2.gz MHUKOTNDESKAFM-QMMMGPOBSA-N 1 1 139.242 1.903 10 30 ADEEMO CCCCC[N@@H+](CC)C/C(N)=N/O 45049813 572244888 /nfs/dbraw/zinc/24/48/88/572244888.db2.gz YFFUWIUPRHUVQO-UHFFFAOYSA-N 1 1 187.287 1.245 10 30 ADEEMO CC[N@@H+](CCC(C)C)C/C(N)=N/O 45049835 572244973 /nfs/dbraw/zinc/24/49/73/572244973.db2.gz HWIBOUDLFGVIHC-UHFFFAOYSA-N 1 1 187.287 1.101 10 30 ADEEMO CC(C)C[C@H](C)[N@H+](C)C[C@H](N)C#N 45318641 572245058 /nfs/dbraw/zinc/24/50/58/572245058.db2.gz PPUHCRZFNKXKQC-VHSXEESVSA-N 1 1 183.299 1.204 10 30 ADEEMO CC(C)C[C@H](C)[N@@H+](C)C[C@H](N)C#N 45318641 572245061 /nfs/dbraw/zinc/24/50/61/572245061.db2.gz PPUHCRZFNKXKQC-VHSXEESVSA-N 1 1 183.299 1.204 10 30 ADEEMO CC(C)C[N@@H+](C)[C@@H](C)C/C(N)=N/O 48257954 572247077 /nfs/dbraw/zinc/24/70/77/572247077.db2.gz SODQGPQSWLDSCX-QMMMGPOBSA-N 1 1 187.287 1.099 10 30 ADEEMO CC[C@@H](C)[N@@H+](C)CCC[C@](C)(N)C#N 45308701 572245079 /nfs/dbraw/zinc/24/50/79/572245079.db2.gz CSCANSVEFAEOSG-MNOVXSKESA-N 1 1 197.326 1.738 10 30 ADEEMO C[C@H](CC#N)[N@H+](C)C1CC1 21404959 572245457 /nfs/dbraw/zinc/24/54/57/572245457.db2.gz IAGQGJSNOXHMPC-SSDOTTSWSA-N 1 1 138.214 1.383 10 30 ADEEMO C[C@H](CC#N)[N@@H+](C)C1CC1 21404959 572245458 /nfs/dbraw/zinc/24/54/58/572245458.db2.gz IAGQGJSNOXHMPC-SSDOTTSWSA-N 1 1 138.214 1.383 10 30 ADEEMO C[C@H]1CCC[N@H+]1CCC[C@](C)(N)C#N 45282815 572245460 /nfs/dbraw/zinc/24/54/60/572245460.db2.gz PMTNJDNOPDUAAD-QWRGUYRKSA-N 1 1 195.310 1.492 10 30 ADEEMO C/N=C1\[NH+]=C(N(C)C)c2ccccc21 223321778 572245562 /nfs/dbraw/zinc/24/55/62/572245562.db2.gz RKNFKMNGFKSEJU-BENRWUELSA-N 1 1 187.246 1.385 10 30 ADEEMO C[N@@H+](CCC(C)(C)C)C/C(N)=N/O 45049791 572245674 /nfs/dbraw/zinc/24/56/74/572245674.db2.gz PTFJOURJTBHHQV-UHFFFAOYSA-N 1 1 187.287 1.101 10 30 ADEEMO CC[N@H+](C/C(N)=N/O)CC1CCCC1 45049922 572245714 /nfs/dbraw/zinc/24/57/14/572245714.db2.gz FWQFJEHXUMXMMN-UHFFFAOYSA-N 1 1 199.298 1.245 10 30 ADEEMO C[C@@H]1CC[N@@H+](CCC[C@](C)(N)C#N)C1 45313204 572245761 /nfs/dbraw/zinc/24/57/61/572245761.db2.gz YLWNMGRNBLQIFV-MNOVXSKESA-N 1 1 195.310 1.349 10 30 ADEEMO C[C@@H]1CCC[N@H+]1CCC[C@](C)(N)C#N 45282813 572245765 /nfs/dbraw/zinc/24/57/65/572245765.db2.gz PMTNJDNOPDUAAD-MNOVXSKESA-N 1 1 195.310 1.492 10 30 ADEEMO CC(C)C[C@@H](C)[N@H+](C)C[C@H](N)C#N 45318637 572245989 /nfs/dbraw/zinc/24/59/89/572245989.db2.gz PPUHCRZFNKXKQC-NXEZZACHSA-N 1 1 183.299 1.204 10 30 ADEEMO CC(C)C[C@@H](C)[N@@H+](C)C[C@H](N)C#N 45318637 572245992 /nfs/dbraw/zinc/24/59/92/572245992.db2.gz PPUHCRZFNKXKQC-NXEZZACHSA-N 1 1 183.299 1.204 10 30 ADEEMO C[C@@H]([N@H+](C)C[C@H](N)C#N)C(C)(C)C 45314041 572246169 /nfs/dbraw/zinc/24/61/69/572246169.db2.gz ULIZQDUZIXRQPX-RKDXNWHRSA-N 1 1 183.299 1.204 10 30 ADEEMO C[C@@H]([N@@H+](C)C[C@H](N)C#N)C(C)(C)C 45314041 572246170 /nfs/dbraw/zinc/24/61/70/572246170.db2.gz ULIZQDUZIXRQPX-RKDXNWHRSA-N 1 1 183.299 1.204 10 30 ADEEMO C[C@H]([N@H+](C)C[C@H](N)C#N)C(C)(C)C 45314037 572246282 /nfs/dbraw/zinc/24/62/82/572246282.db2.gz ULIZQDUZIXRQPX-DTWKUNHWSA-N 1 1 183.299 1.204 10 30 ADEEMO C[C@H]([N@@H+](C)C[C@H](N)C#N)C(C)(C)C 45314037 572246284 /nfs/dbraw/zinc/24/62/84/572246284.db2.gz ULIZQDUZIXRQPX-DTWKUNHWSA-N 1 1 183.299 1.204 10 30 ADEEMO CC(C)C[N@@H+](C)[C@H](C)C/C(N)=N/O 48257957 572246477 /nfs/dbraw/zinc/24/64/77/572246477.db2.gz SODQGPQSWLDSCX-MRVPVSSYSA-N 1 1 187.287 1.099 10 30 ADEEMO CCC[N@@H+](CC)[C@@H](C)C/C(N)=N/O 48257937 572246495 /nfs/dbraw/zinc/24/64/95/572246495.db2.gz ZDPZUBTUPXRMKY-QMMMGPOBSA-N 1 1 187.287 1.243 10 30 ADEEMO C#CCC[N@@H+]1CC[C@@H](C(F)F)C1 687714518 572246561 /nfs/dbraw/zinc/24/65/61/572246561.db2.gz KEXFLPXQTIZEJK-MRVPVSSYSA-N 1 1 173.206 1.597 10 30 ADEEMO CC[N@@H+](C(C)C)[C@@H](C)C/C(N)=N/O 48257921 572246632 /nfs/dbraw/zinc/24/66/32/572246632.db2.gz DEOSZHKCNSDZKK-QMMMGPOBSA-N 1 1 187.287 1.242 10 30 ADEEMO C[C@@H](C/C(N)=N/O)[N@@H+](C)C1CCCC1 48257932 572246750 /nfs/dbraw/zinc/24/67/50/572246750.db2.gz RTXKVJWRYKIFEY-QMMMGPOBSA-N 1 1 199.298 1.386 10 30 ADEEMO C[C@@H](C/C(N)=N/O)[N@@H+](C)[C@@H](C)C1CC1 48258029 572246904 /nfs/dbraw/zinc/24/69/04/572246904.db2.gz SMZYHDDGFMJRKW-YUMQZZPRSA-N 1 1 199.298 1.242 10 30 ADEEMO CCC[N@H+](C1CC1)[C@@H](C)C/C(N)=N/O 48257946 572246966 /nfs/dbraw/zinc/24/69/66/572246966.db2.gz CRWHLHKVKVEPPW-QMMMGPOBSA-N 1 1 199.298 1.386 10 30 ADEEMO C#CCC[N@@H+]1CC[C@H](C(F)F)C1 687714519 572247010 /nfs/dbraw/zinc/24/70/10/572247010.db2.gz KEXFLPXQTIZEJK-QMMMGPOBSA-N 1 1 173.206 1.597 10 30 ADEEMO CCC[N@@H+](CC)[C@H](C)C/C(N)=N/O 48257939 572247051 /nfs/dbraw/zinc/24/70/51/572247051.db2.gz ZDPZUBTUPXRMKY-MRVPVSSYSA-N 1 1 187.287 1.243 10 30 ADEEMO CC[C@H](C)[N@@H+](C)[C@@H](C)C/C(N)=N/O 48257961 572247225 /nfs/dbraw/zinc/24/72/25/572247225.db2.gz PZMSXKBZOVBSAL-YUMQZZPRSA-N 1 1 187.287 1.242 10 30 ADEEMO C[C@@H](C1CC1)[N@H+](C)[C@H](C)C/C(N)=N/O 48258030 572247356 /nfs/dbraw/zinc/24/73/56/572247356.db2.gz SMZYHDDGFMJRKW-SFYZADRCSA-N 1 1 199.298 1.242 10 30 ADEEMO CC#CC[N@@H+](C)C(C)(C)CCO 687714509 572247420 /nfs/dbraw/zinc/24/74/20/572247420.db2.gz PGMIKNMECNNLPS-UHFFFAOYSA-N 1 1 169.268 1.103 10 30 ADEEMO CC[C@@H](C)[N@@H+](C)[C@@H](C)C/C(N)=N/O 48257959 572247714 /nfs/dbraw/zinc/24/77/14/572247714.db2.gz PZMSXKBZOVBSAL-SFYZADRCSA-N 1 1 187.287 1.242 10 30 ADEEMO C[C@H](C/C(N)=N/O)[N@@H+](C)C1CCCC1 48257934 572247782 /nfs/dbraw/zinc/24/77/82/572247782.db2.gz RTXKVJWRYKIFEY-MRVPVSSYSA-N 1 1 199.298 1.386 10 30 ADEEMO CCC[N@H+](C1CC1)[C@H](C)C/C(N)=N/O 48257948 572247979 /nfs/dbraw/zinc/24/79/79/572247979.db2.gz CRWHLHKVKVEPPW-MRVPVSSYSA-N 1 1 199.298 1.386 10 30 ADEEMO CC[N@@H+](C(C)C)[C@H](C)C/C(N)=N/O 48257923 572248035 /nfs/dbraw/zinc/24/80/35/572248035.db2.gz DEOSZHKCNSDZKK-MRVPVSSYSA-N 1 1 187.287 1.242 10 30 ADEEMO N#CCC[N@@H+]1C[C@H]2CCCC[C@@H]21 687714558 572248520 /nfs/dbraw/zinc/24/85/20/572248520.db2.gz LGGGBSACKJQTKC-ZJUUUORDSA-N 1 1 164.252 1.774 10 30 ADEEMO N#CCC[N@H+]1C[C@H]2CCCC[C@@H]21 687714558 572248521 /nfs/dbraw/zinc/24/85/21/572248521.db2.gz LGGGBSACKJQTKC-ZJUUUORDSA-N 1 1 164.252 1.774 10 30 ADEEMO N#CCC[N@@H+]1C[C@@H]2CCCC[C@H]21 687714557 572248535 /nfs/dbraw/zinc/24/85/35/572248535.db2.gz LGGGBSACKJQTKC-VHSXEESVSA-N 1 1 164.252 1.774 10 30 ADEEMO N#CCC[N@H+]1C[C@@H]2CCCC[C@H]21 687714557 572248536 /nfs/dbraw/zinc/24/85/36/572248536.db2.gz LGGGBSACKJQTKC-VHSXEESVSA-N 1 1 164.252 1.774 10 30 ADEEMO CC#CC[N@H+](C)Cc1ccc[nH]1 687714597 572248604 /nfs/dbraw/zinc/24/86/04/572248604.db2.gz RBZQDQULDDGNJM-UHFFFAOYSA-N 1 1 162.236 1.470 10 30 ADEEMO CC#CC[N@@H+](C)Cc1ccc[nH]1 687714597 572248605 /nfs/dbraw/zinc/24/86/05/572248605.db2.gz RBZQDQULDDGNJM-UHFFFAOYSA-N 1 1 162.236 1.470 10 30 ADEEMO C#CCC[N@H+](C)Cc1ccc[nH]1 687714596 572248662 /nfs/dbraw/zinc/24/86/62/572248662.db2.gz QBHCPQLPPXQEDO-UHFFFAOYSA-N 1 1 162.236 1.470 10 30 ADEEMO N#CCCCN[C@@H]1CC[N@@H+]2CCC[C@H]12 49568250 572248984 /nfs/dbraw/zinc/24/89/84/572248984.db2.gz OTHBPHYQARJAAQ-GHMZBOCLSA-N 1 1 193.294 1.116 10 30 ADEEMO N#CCCCN[C@@H]1CC[N@H+]2CCC[C@H]12 49568250 572248987 /nfs/dbraw/zinc/24/89/87/572248987.db2.gz OTHBPHYQARJAAQ-GHMZBOCLSA-N 1 1 193.294 1.116 10 30 ADEEMO C[N@@H+](CCCCC#N)C1CCOCC1 49579409 572249396 /nfs/dbraw/zinc/24/93/96/572249396.db2.gz KIQYVRXWAMFYRW-UHFFFAOYSA-N 1 1 196.294 1.791 10 30 ADEEMO C=C[C@@H](C)[NH2+]C[C@H]1CCN(C)C1 235218659 572249906 /nfs/dbraw/zinc/24/99/06/572249906.db2.gz XTZYYKWALSYSFU-NXEZZACHSA-N 1 1 168.284 1.102 10 30 ADEEMO C#CCC[N@H+](C[C@@H](C)O)C(C)C 687714794 572249958 /nfs/dbraw/zinc/24/99/58/572249958.db2.gz ZDORCAKGSJLUBC-SNVBAGLBSA-N 1 1 169.268 1.101 10 30 ADEEMO N#CCCCN[C@H]1CC[N@@H+]2CCC[C@H]12 49568254 572250022 /nfs/dbraw/zinc/25/00/22/572250022.db2.gz OTHBPHYQARJAAQ-WDEREUQCSA-N 1 1 193.294 1.116 10 30 ADEEMO N#CCCCN[C@H]1CC[N@H+]2CCC[C@H]12 49568254 572250023 /nfs/dbraw/zinc/25/00/23/572250023.db2.gz OTHBPHYQARJAAQ-WDEREUQCSA-N 1 1 193.294 1.116 10 30 ADEEMO C#CCC[N@H+](C[C@H](C)O)C(C)C 687714793 572250489 /nfs/dbraw/zinc/25/04/89/572250489.db2.gz ZDORCAKGSJLUBC-JTQLQIEISA-N 1 1 169.268 1.101 10 30 ADEEMO CC[C@H](C)C[N@@H+](CC)C/C(N)=N/O 50424883 572251262 /nfs/dbraw/zinc/25/12/62/572251262.db2.gz UDKGMHUQFCZMOB-QMMMGPOBSA-N 1 1 187.287 1.101 10 30 ADEEMO C#CCC[N@H+](CCO)C1CCCC1 50106585 572251575 /nfs/dbraw/zinc/25/15/75/572251575.db2.gz TVCQHDAQBJFSTE-UHFFFAOYSA-N 1 1 181.279 1.247 10 30 ADEEMO CC[C@@H](C)C[N@@H+](CC)C/C(N)=N/O 50424881 572251691 /nfs/dbraw/zinc/25/16/91/572251691.db2.gz UDKGMHUQFCZMOB-MRVPVSSYSA-N 1 1 187.287 1.101 10 30 ADEEMO C=C(C)C[N@@H+](CCO)C1CCCC1 50106589 572252045 /nfs/dbraw/zinc/25/20/45/572252045.db2.gz KFTYVCJGFCPKER-UHFFFAOYSA-N 1 1 183.295 1.799 10 30 ADEEMO C=CC[N@H+](CCO)C1CCCC1 50106592 572252622 /nfs/dbraw/zinc/25/26/22/572252622.db2.gz UYVYOGONGPJMBB-UHFFFAOYSA-N 1 1 169.268 1.409 10 30 ADEEMO N#Cc1ccc(C([NH3+])C=O)cc1 307974949 572327390 /nfs/dbraw/zinc/32/73/90/572327390.db2.gz FFSGHWYYWXXPFZ-TWGQIWQCSA-N 1 1 160.176 1.373 10 30 ADEEMO C=CCCCCC[C@@H]([NH3+])c1cn[nH]n1 236315564 572328261 /nfs/dbraw/zinc/32/82/61/572328261.db2.gz MGCCDMDBCVSCBX-SECBINFHSA-N 1 1 194.282 1.941 10 30 ADEEMO CC[C@@]1(C)COCC[N@H+]1CCC=O 687930658 572326632 /nfs/dbraw/zinc/32/66/32/572326632.db2.gz BINQMWFKVZDJCJ-JTQLQIEISA-N 1 1 185.267 1.076 10 30 ADEEMO C=CC[N@@H+](CC)Cc1c[nH]cn1 307975427 572326699 /nfs/dbraw/zinc/32/66/99/572326699.db2.gz KOFWTNYTXBRKDQ-UHFFFAOYSA-N 1 1 165.240 1.418 10 30 ADEEMO C=CC[N@H+](CC)Cc1c[nH]cn1 307975427 572326702 /nfs/dbraw/zinc/32/67/02/572326702.db2.gz KOFWTNYTXBRKDQ-UHFFFAOYSA-N 1 1 165.240 1.418 10 30 ADEEMO CC#CCCO[NH+]=C(N)CCC 307975428 572326848 /nfs/dbraw/zinc/32/68/48/572326848.db2.gz KOHBPZYKFJOYQC-UHFFFAOYSA-N 1 1 168.240 1.489 10 30 ADEEMO C=CC[C@@H]([NH3+])C(=O)c1ccsn1 311667622 572327050 /nfs/dbraw/zinc/32/70/50/572327050.db2.gz IGTUAZJZCAGQFH-ZCFIWIBFSA-N 1 1 182.248 1.229 10 30 ADEEMO C[C@H]1C[N@@H+](CC#CC(C)(C)C)C[C@H]1O 307033072 572327184 /nfs/dbraw/zinc/32/71/84/572327184.db2.gz SBPUWZQIQSMJKD-WDEREUQCSA-N 1 1 195.306 1.349 10 30 ADEEMO CCCCO[NH+]=C(N)CCOC 307975954 572327730 /nfs/dbraw/zinc/32/77/30/572327730.db2.gz KYTVPCXWUGYCBL-UHFFFAOYSA-N 1 1 174.244 1.112 10 30 ADEEMO CC[C@]1(C)COCC[N@H+]1CCC=O 687930659 572328226 /nfs/dbraw/zinc/32/82/26/572328226.db2.gz BINQMWFKVZDJCJ-SNVBAGLBSA-N 1 1 185.267 1.076 10 30 ADEEMO CCOCCC[N@@H+]1CCC[C@H](C#N)C1 83551293 572328596 /nfs/dbraw/zinc/32/85/96/572328596.db2.gz CYQXAFCJGQJMBC-LLVKDONJSA-N 1 1 196.294 1.649 10 30 ADEEMO CCOCCC[N@H+]1CCC[C@H](C#N)C1 83551293 572328598 /nfs/dbraw/zinc/32/85/98/572328598.db2.gz CYQXAFCJGQJMBC-LLVKDONJSA-N 1 1 196.294 1.649 10 30 ADEEMO C=CC[C@@]1(O)CC[N@H+](CC)C1 307085934 572329149 /nfs/dbraw/zinc/32/91/49/572329149.db2.gz YFIFVYRRVPKXCX-SECBINFHSA-N 1 1 155.241 1.019 10 30 ADEEMO CCOCCC[N@H+](CCC#N)C1CC1 83551273 572329503 /nfs/dbraw/zinc/32/95/03/572329503.db2.gz DYQXLTHEOZDGTH-UHFFFAOYSA-N 1 1 196.294 1.791 10 30 ADEEMO CCOCCC[N@@H+](CCC#N)C1CC1 83551273 572329504 /nfs/dbraw/zinc/32/95/04/572329504.db2.gz DYQXLTHEOZDGTH-UHFFFAOYSA-N 1 1 196.294 1.791 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCC[C@@H](O)[C@H]1C 307040383 572329517 /nfs/dbraw/zinc/32/95/17/572329517.db2.gz QPEZTCZMPGCNBE-IVZWLZJFSA-N 1 1 169.268 1.406 10 30 ADEEMO C=C(C)C[NH2+][C@@H]1CCCN[C@H]1C 307099461 572329521 /nfs/dbraw/zinc/32/95/21/572329521.db2.gz WZLCWSSCUZECHW-VHSXEESVSA-N 1 1 168.284 1.293 10 30 ADEEMO C#CCCCN1CC[C@H]2[NH2+]CC[C@@H]2C1 307066909 572329790 /nfs/dbraw/zinc/32/97/90/572329790.db2.gz WOYIVESSXQQJOD-VXGBXAGGSA-N 1 1 192.306 1.084 10 30 ADEEMO C#C[C@@]1(O)CC[N@H+](C[C@@H](C)CC)C1 307001240 572329989 /nfs/dbraw/zinc/32/99/89/572329989.db2.gz BBZQUMGUCQTSDC-WDEREUQCSA-N 1 1 181.279 1.103 10 30 ADEEMO CCOCCC[N@@H+]1CCC[C@@H](C#N)C1 83551295 572330465 /nfs/dbraw/zinc/33/04/65/572330465.db2.gz CYQXAFCJGQJMBC-NSHDSACASA-N 1 1 196.294 1.649 10 30 ADEEMO CCOCCC[N@H+]1CCC[C@@H](C#N)C1 83551295 572330469 /nfs/dbraw/zinc/33/04/69/572330469.db2.gz CYQXAFCJGQJMBC-NSHDSACASA-N 1 1 196.294 1.649 10 30 ADEEMO C=C[C@H](C)[N@H+](C)CC#CC 307086583 572330976 /nfs/dbraw/zinc/33/09/76/572330976.db2.gz NRGFCMNPONGPKH-VIFPVBQESA-N 1 1 137.226 1.516 10 30 ADEEMO C=CCC[C@]1(O)CC[N@H+]2CCC[C@H]2C1 307068155 572331056 /nfs/dbraw/zinc/33/10/56/572331056.db2.gz VTKFTKKXKNSOJM-RYUDHWBXSA-N 1 1 195.306 1.942 10 30 ADEEMO C#C[C@@H](CCC)[NH2+]CC(C)(C)C#N 405193492 572331104 /nfs/dbraw/zinc/33/11/04/572331104.db2.gz WNXLZLQTHHNUJZ-JTQLQIEISA-N 1 1 178.279 1.928 10 30 ADEEMO C=C[C@H](C)[NH+]1CC(n2cccn2)C1 307069557 572331217 /nfs/dbraw/zinc/33/12/17/572331217.db2.gz UAEUTBRLAYBHQA-VIFPVBQESA-N 1 1 177.251 1.314 10 30 ADEEMO C#CC[N@H+](C)C[C@@H]1CCO[C@H](C)C1 307009307 572331358 /nfs/dbraw/zinc/33/13/58/572331358.db2.gz HWHAQLWXCRHAQO-GHMZBOCLSA-N 1 1 181.279 1.367 10 30 ADEEMO CCOCCC[N@H+]1CCC[C@H](C=O)C1 83553149 572333118 /nfs/dbraw/zinc/33/31/18/572333118.db2.gz ZOMPCLZURKWYGA-NSHDSACASA-N 1 1 199.294 1.324 10 30 ADEEMO CCCCCCCC(=O)[C@@](C)([NH3+])O 238203081 572331515 /nfs/dbraw/zinc/33/15/15/572331515.db2.gz VPAVIHLQXYFGSC-JTQLQIEISA-N 1 1 187.283 1.583 10 30 ADEEMO C=C1C[N@@H+]2CCC[C@@H]2CN1CC 307022400 572331546 /nfs/dbraw/zinc/33/15/46/572331546.db2.gz CCYMSQDCRNFAMA-SNVBAGLBSA-N 1 1 166.268 1.300 10 30 ADEEMO C=C1CN2CCC[C@@H]2C[N@H+]1CC 307022400 572331549 /nfs/dbraw/zinc/33/15/49/572331549.db2.gz CCYMSQDCRNFAMA-SNVBAGLBSA-N 1 1 166.268 1.300 10 30 ADEEMO C=C1CN2CCC[C@@H]2C[N@@H+]1CC 307022400 572331554 /nfs/dbraw/zinc/33/15/54/572331554.db2.gz CCYMSQDCRNFAMA-SNVBAGLBSA-N 1 1 166.268 1.300 10 30 ADEEMO CCOCCC[N@H+]1CCCC[C@H]1C=O 83553152 572331556 /nfs/dbraw/zinc/33/15/56/572331556.db2.gz CPCWMEVLLHOEFU-NSHDSACASA-N 1 1 199.294 1.466 10 30 ADEEMO C=C(C)[C@@]1(O)CC[N@H+](C)C[C@@H]1C 307073434 572331563 /nfs/dbraw/zinc/33/15/63/572331563.db2.gz MOJSEPCZXLTDSS-UWVGGRQHSA-N 1 1 169.268 1.265 10 30 ADEEMO C=C(C)[C@@]1(O)CC[N@H+](C)C[C@H]1C 307073474 572331709 /nfs/dbraw/zinc/33/17/09/572331709.db2.gz MOJSEPCZXLTDSS-ZJUUUORDSA-N 1 1 169.268 1.265 10 30 ADEEMO C[C@@H]1C[N@@H+](CC#CC(C)(C)C)C[C@@H]1O 307033070 572333149 /nfs/dbraw/zinc/33/31/49/572333149.db2.gz SBPUWZQIQSMJKD-MNOVXSKESA-N 1 1 195.306 1.349 10 30 ADEEMO C=CCN1CC[C@H]2CC[N@H+](C)C[C@H]21 307139855 572332165 /nfs/dbraw/zinc/33/21/65/572332165.db2.gz ATJGGVZOUXEOCD-GHMZBOCLSA-N 1 1 180.295 1.198 10 30 ADEEMO C=CC[N@H+]1CC[C@H]2CCN(C)C[C@H]21 307139855 572332167 /nfs/dbraw/zinc/33/21/67/572332167.db2.gz ATJGGVZOUXEOCD-GHMZBOCLSA-N 1 1 180.295 1.198 10 30 ADEEMO C=CC[N@@H+]1CC[C@H]2CCN(C)C[C@H]21 307139855 572332170 /nfs/dbraw/zinc/33/21/70/572332170.db2.gz ATJGGVZOUXEOCD-GHMZBOCLSA-N 1 1 180.295 1.198 10 30 ADEEMO CCCCCCCC(=O)[C@](C)([NH3+])O 238203196 572332281 /nfs/dbraw/zinc/33/22/81/572332281.db2.gz VPAVIHLQXYFGSC-SNVBAGLBSA-N 1 1 187.283 1.583 10 30 ADEEMO C=CCC[C@@]1(O)CC[N@H+]2CCC[C@H]2C1 307068154 572332489 /nfs/dbraw/zinc/33/24/89/572332489.db2.gz VTKFTKKXKNSOJM-NWDGAFQWSA-N 1 1 195.306 1.942 10 30 ADEEMO C#C[C@H](C(C)C)N1CCC[NH2+][C@@H](C)C1 300915181 572332815 /nfs/dbraw/zinc/33/28/15/572332815.db2.gz MIBLVJFKOXLARB-NWDGAFQWSA-N 1 1 194.322 1.328 10 30 ADEEMO CCCC[N@@H+](CCC#N)C[C@@H](C)O 238202732 572332828 /nfs/dbraw/zinc/33/28/28/572332828.db2.gz OLXFYGJPUUSLAT-SNVBAGLBSA-N 1 1 184.283 1.383 10 30 ADEEMO CCOCCC[N@H+]1CCCC[C@@H]1C=O 83553151 572332854 /nfs/dbraw/zinc/33/28/54/572332854.db2.gz CPCWMEVLLHOEFU-LLVKDONJSA-N 1 1 199.294 1.466 10 30 ADEEMO CCOCCC[N@H+]1CCC[C@@H](C=O)C1 83553150 572333112 /nfs/dbraw/zinc/33/31/12/572333112.db2.gz ZOMPCLZURKWYGA-LLVKDONJSA-N 1 1 199.294 1.324 10 30 ADEEMO CCCC[N@@H+](CCC#N)C[C@H](C)O 238202746 572333403 /nfs/dbraw/zinc/33/34/03/572333403.db2.gz OLXFYGJPUUSLAT-JTQLQIEISA-N 1 1 184.283 1.383 10 30 ADEEMO C=CCC[C@]1(O)CC[N@H+]2CCCC[C@@H]21 307013130 572333508 /nfs/dbraw/zinc/33/35/08/572333508.db2.gz NIAIPRZCRAHIPD-NEPJUHHUSA-N 1 1 195.306 1.942 10 30 ADEEMO C=CC[NH2+]Cc1cc(F)c(O)c(F)c1 86894510 572333752 /nfs/dbraw/zinc/33/37/52/572333752.db2.gz XDUGHZJBSNKSAM-UHFFFAOYSA-N 1 1 199.200 1.946 10 30 ADEEMO C=CC[N@@H+]1CCN(C)CC[C@H]1C 307046264 572333928 /nfs/dbraw/zinc/33/39/28/572333928.db2.gz XGWLSLVGHMCHOR-SNVBAGLBSA-N 1 1 168.284 1.198 10 30 ADEEMO C=CCN1CC[N@@H+](C)CC[C@H]1C 307046264 572333933 /nfs/dbraw/zinc/33/39/33/572333933.db2.gz XGWLSLVGHMCHOR-SNVBAGLBSA-N 1 1 168.284 1.198 10 30 ADEEMO C=CCN1CC[N@H+](C)CC[C@H]1C 307046264 572333937 /nfs/dbraw/zinc/33/39/37/572333937.db2.gz XGWLSLVGHMCHOR-SNVBAGLBSA-N 1 1 168.284 1.198 10 30 ADEEMO N#C[C@@]1([NH3+])CCC2CC1C2 196743998 572333995 /nfs/dbraw/zinc/33/39/95/572333995.db2.gz BPGMKCPKZQEBBG-RRQHEKLDSA-N 1 1 136.198 1.027 10 30 ADEEMO C=C(C[NH3+])C[N@H+]1CC[C@@H]2CCC[C@@H]21 307036937 572334812 /nfs/dbraw/zinc/33/48/12/572334812.db2.gz OPYUPZLJGBFAQH-QWRGUYRKSA-N 1 1 180.295 1.376 10 30 ADEEMO CCc1[nH+]cc2n1CC[C@@H](C=O)C2 107166686 572335543 /nfs/dbraw/zinc/33/55/43/572335543.db2.gz WGXABTHIXAXDCB-MRVPVSSYSA-N 1 1 178.235 1.207 10 30 ADEEMO CCc1[nH+]cc2n1C[C@@H](C=O)CC2 107166679 572336153 /nfs/dbraw/zinc/33/61/53/572336153.db2.gz KPCFQIMIFCTAOD-QMMMGPOBSA-N 1 1 178.235 1.207 10 30 ADEEMO C=CCCCCC[N@H+]1CC[C@H](N)C1 236323788 572336794 /nfs/dbraw/zinc/33/67/94/572336794.db2.gz XSUWZCDGINGYBM-NSHDSACASA-N 1 1 182.311 1.766 10 30 ADEEMO C=CCCCCC[N@@H+]1CC[C@H](N)C1 236323788 572336797 /nfs/dbraw/zinc/33/67/97/572336797.db2.gz XSUWZCDGINGYBM-NSHDSACASA-N 1 1 182.311 1.766 10 30 ADEEMO C#CCCC[N@@H+]1CCC[C@@H](O)[C@@H]1C 307119620 572336891 /nfs/dbraw/zinc/33/68/91/572336891.db2.gz SEKBDWCQUZPXNB-WDEREUQCSA-N 1 1 181.279 1.245 10 30 ADEEMO Cc1[nH+]c(C)n2c1CC[C@@H](C=O)C2 107166681 572337463 /nfs/dbraw/zinc/33/74/63/572337463.db2.gz BYUFSLPASZYPBI-SECBINFHSA-N 1 1 178.235 1.261 10 30 ADEEMO C#C/C=C/C[N@H+](CCO)CCCC 238208309 572337650 /nfs/dbraw/zinc/33/76/50/572337650.db2.gz QZVWPAJPWIWHJC-FNORWQNLSA-N 1 1 181.279 1.270 10 30 ADEEMO CC#CCC[N@H+](C)[C@@H](C)COC 307982035 572337785 /nfs/dbraw/zinc/33/77/85/572337785.db2.gz PGEKXVZKPUVNAY-JTQLQIEISA-N 1 1 169.268 1.367 10 30 ADEEMO C=CC[NH+](CC=C)[C@H](C=O)C(C)C 238206915 572337691 /nfs/dbraw/zinc/33/76/91/572337691.db2.gz AJDQDVMAUIYWOW-LLVKDONJSA-N 1 1 181.279 1.884 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)C[C@H]1CCCO1 307103725 572337865 /nfs/dbraw/zinc/33/78/65/572337865.db2.gz BQIDFLKYUBTRPT-VHSXEESVSA-N 1 1 167.252 1.119 10 30 ADEEMO CC#CCC[N@H+](C)[C@H](C)COC 307982037 572337898 /nfs/dbraw/zinc/33/78/98/572337898.db2.gz PGEKXVZKPUVNAY-SNVBAGLBSA-N 1 1 169.268 1.367 10 30 ADEEMO C/C=[NH+]\C[C@H](O)c1ccccc1 307981262 572338133 /nfs/dbraw/zinc/33/81/33/572338133.db2.gz OHBHMZHYPDDPSN-HISCHJSWSA-N 1 1 163.220 1.811 10 30 ADEEMO CCCCCCCC[NH2+]CN 238215704 572339477 /nfs/dbraw/zinc/33/94/77/572339477.db2.gz PACRLRNAOFNGKM-UHFFFAOYSA-N 1 1 158.289 1.853 10 30 ADEEMO C#CC[N@H+](CCC)[C@H](C)[C@@H](C)O 307983180 572339586 /nfs/dbraw/zinc/33/95/86/572339586.db2.gz PZXKCFYQEAWRNX-NXEZZACHSA-N 1 1 169.268 1.101 10 30 ADEEMO C#C[C@H](C)[NH2+]Cc1cnc(C)o1 307155503 572339887 /nfs/dbraw/zinc/33/98/87/572339887.db2.gz VRNINAKIVSFNEK-ZETCQYMHSA-N 1 1 164.208 1.094 10 30 ADEEMO C=CC[N@@H+](C/C=C/C)CCOC 307982410 572339937 /nfs/dbraw/zinc/33/99/37/572339937.db2.gz PMOZKXKJTSCZTC-GQCTYLIASA-N 1 1 169.268 1.697 10 30 ADEEMO C#CC[N@H+](CCC)[C@@H](C)[C@H](C)O 307983182 572340748 /nfs/dbraw/zinc/34/07/48/572340748.db2.gz PZXKCFYQEAWRNX-UWVGGRQHSA-N 1 1 169.268 1.101 10 30 ADEEMO C=CC[N@@H+](C/C=C\C)CCOC 307982412 572341073 /nfs/dbraw/zinc/34/10/73/572341073.db2.gz PMOZKXKJTSCZTC-XQRVVYSFSA-N 1 1 169.268 1.697 10 30 ADEEMO C#CC[N@H+](CCC)[C@@H](C)[C@@H](C)O 307983184 572341126 /nfs/dbraw/zinc/34/11/26/572341126.db2.gz PZXKCFYQEAWRNX-VHSXEESVSA-N 1 1 169.268 1.101 10 30 ADEEMO C#CCCC[N@@H+](CC#C)CCC 307982475 572341277 /nfs/dbraw/zinc/34/12/77/572341277.db2.gz POQXQDFAQVWOOP-UHFFFAOYSA-N 1 1 163.264 1.745 10 30 ADEEMO C#CC[N@H+](CCC)[C@H](C)[C@H](C)O 307983186 572341339 /nfs/dbraw/zinc/34/13/39/572341339.db2.gz PZXKCFYQEAWRNX-ZJUUUORDSA-N 1 1 169.268 1.101 10 30 ADEEMO CCCCC#CC[N@@H+](CCO)C(C)C 238215397 572341956 /nfs/dbraw/zinc/34/19/56/572341956.db2.gz PQHUSMBFVUQQSL-UHFFFAOYSA-N 1 1 197.322 1.883 10 30 ADEEMO C#CC(CC)(CC)[NH2+]CCC#N 238216741 572343648 /nfs/dbraw/zinc/34/36/48/572343648.db2.gz UKOBZXJVOWMMMO-UHFFFAOYSA-N 1 1 164.252 1.682 10 30 ADEEMO C#CCCC[N@@H+]1CCC[C@H](O)[C@@H]1C 307119619 572343865 /nfs/dbraw/zinc/34/38/65/572343865.db2.gz SEKBDWCQUZPXNB-QWRGUYRKSA-N 1 1 181.279 1.245 10 30 ADEEMO C=CCCCCC[NH2+][C@H](C)C(=O)OC 234533987 572344591 /nfs/dbraw/zinc/34/45/91/572344591.db2.gz KPDVTBMSUOCLOG-SNVBAGLBSA-N 1 1 199.294 1.884 10 30 ADEEMO CCCCC[N@@H+](C)[C@H](C)C=O 117003336 572345799 /nfs/dbraw/zinc/34/57/99/572345799.db2.gz LOXBSTRGBUHDID-SECBINFHSA-N 1 1 157.257 1.696 10 30 ADEEMO C=C(C)C[N@H+]1CCC[C@]12CCOC2 307156704 572345822 /nfs/dbraw/zinc/34/58/22/572345822.db2.gz GJAUXZZJYKXBCB-LLVKDONJSA-N 1 1 181.279 1.817 10 30 ADEEMO C#CC[N@H+](CC)CC1CC1 68947815 572345840 /nfs/dbraw/zinc/34/58/40/572345840.db2.gz LDFXOYWURNPHHK-UHFFFAOYSA-N 1 1 137.226 1.352 10 30 ADEEMO C=CCN(CC=C)C[C@@H](CC)C[NH3+] 83606245 572345914 /nfs/dbraw/zinc/34/59/14/572345914.db2.gz RZJBZFQBDQLEBP-NSHDSACASA-N 1 1 182.311 1.645 10 30 ADEEMO CC#CC[NH2+][C@H](C)c1cnc(C)cn1 307103526 572346756 /nfs/dbraw/zinc/34/67/56/572346756.db2.gz WPQGMYVZBPNYPD-SNVBAGLBSA-N 1 1 189.262 1.459 10 30 ADEEMO C=C1C[N@@H+](C(C)C)C2CCN1CC2 307169518 572346113 /nfs/dbraw/zinc/34/61/13/572346113.db2.gz YJKHRMDMGNSKPY-UHFFFAOYSA-N 1 1 180.295 1.689 10 30 ADEEMO C=C1C[N@H+](C(C)C)C2CCN1CC2 307169518 572346118 /nfs/dbraw/zinc/34/61/18/572346118.db2.gz YJKHRMDMGNSKPY-UHFFFAOYSA-N 1 1 180.295 1.689 10 30 ADEEMO CCNC1=CC(=[NH2+])O[C@@]1(C)CC 39401060 572346330 /nfs/dbraw/zinc/34/63/30/572346330.db2.gz HOOJWRJJQHEXAS-FKVCUQLRSA-N 1 1 168.240 1.446 10 30 ADEEMO C=CC[N@H+](CC)Cc1ccno1 307990289 572346638 /nfs/dbraw/zinc/34/66/38/572346638.db2.gz SQWNDYWYBJIQNQ-UHFFFAOYSA-N 1 1 166.224 1.683 10 30 ADEEMO C=CC[N@H+]1CCC[C@]12CCOC2 307105812 572346735 /nfs/dbraw/zinc/34/67/35/572346735.db2.gz XUZBVOVUYRDKEW-SNVBAGLBSA-N 1 1 167.252 1.427 10 30 ADEEMO CC[N@@H+](C/C=C/CS)C1CC1 87057075 572347664 /nfs/dbraw/zinc/34/76/64/572347664.db2.gz OWNPQHAFULEOGL-ONEGZZNKSA-N 1 1 171.309 1.957 10 30 ADEEMO CCCCC[N@@H+](C)[C@@H](C)C=O 117003494 572347497 /nfs/dbraw/zinc/34/74/97/572347497.db2.gz LOXBSTRGBUHDID-VIFPVBQESA-N 1 1 157.257 1.696 10 30 ADEEMO CCCC#CCC[N@H+]1CCC[C@H]1CO 238218759 572347585 /nfs/dbraw/zinc/34/75/85/572347585.db2.gz XJOUEHZMBDEGPZ-LBPRGKRZSA-N 1 1 195.306 1.637 10 30 ADEEMO C=CC[N@@H+](CCN(C)C)C1CC1 307984814 572347692 /nfs/dbraw/zinc/34/76/92/572347692.db2.gz QRSUHJUYICQRFP-UHFFFAOYSA-N 1 1 168.284 1.198 10 30 ADEEMO C=CC[N@H+](CCN(C)C)C1CC1 307984814 572347697 /nfs/dbraw/zinc/34/76/97/572347697.db2.gz QRSUHJUYICQRFP-UHFFFAOYSA-N 1 1 168.284 1.198 10 30 ADEEMO C=C[C@H](C)C[N@H+](C)C[C@@H](O)CC 307989822 572347713 /nfs/dbraw/zinc/34/77/13/572347713.db2.gz SPKGPEYSTQBLFJ-UWVGGRQHSA-N 1 1 171.284 1.511 10 30 ADEEMO CN(C)CCC[N@H+](C)CCCS 87052995 572347818 /nfs/dbraw/zinc/34/78/18/572347818.db2.gz FWEDDPONRKIKCT-UHFFFAOYSA-N 1 1 190.356 1.190 10 30 ADEEMO CN(C)CCC[N@@H+](C)CCCS 87052995 572347822 /nfs/dbraw/zinc/34/78/22/572347822.db2.gz FWEDDPONRKIKCT-UHFFFAOYSA-N 1 1 190.356 1.190 10 30 ADEEMO CN(CCCS)CCC[NH+](C)C 87052995 572347826 /nfs/dbraw/zinc/34/78/26/572347826.db2.gz FWEDDPONRKIKCT-UHFFFAOYSA-N 1 1 190.356 1.190 10 30 ADEEMO CC[N@@H+](CCOCCS)C(C)C 87056864 572347917 /nfs/dbraw/zinc/34/79/17/572347917.db2.gz OJTGQQGKFRHALI-UHFFFAOYSA-N 1 1 191.340 1.663 10 30 ADEEMO CCC[N@@H+](C)CCOCCS 87057386 572348050 /nfs/dbraw/zinc/34/80/50/572348050.db2.gz KTAIUYFLCWYJBK-UHFFFAOYSA-N 1 1 177.313 1.275 10 30 ADEEMO C[C@@H](O)C[N@@H+](C)CC1(CS)CC1 87050635 572348159 /nfs/dbraw/zinc/34/81/59/572348159.db2.gz HKRMSCWJRWPKMB-MRVPVSSYSA-N 1 1 189.324 1.009 10 30 ADEEMO C[C@@H](CS)C[N@@H+](C)CCC#N 87054222 572348326 /nfs/dbraw/zinc/34/83/26/572348326.db2.gz OALBUPFVXQXIFY-MRVPVSSYSA-N 1 1 172.297 1.398 10 30 ADEEMO SCCCCC[NH+]1CCOCC1 87054360 572348387 /nfs/dbraw/zinc/34/83/87/572348387.db2.gz MUZKLTAIDNNPOB-UHFFFAOYSA-N 1 1 189.324 1.419 10 30 ADEEMO CC[C@H](CS)C[N@@H+](C)CCC#N 87054216 572348466 /nfs/dbraw/zinc/34/84/66/572348466.db2.gz AFCTZZUHBSWLDS-VIFPVBQESA-N 1 1 186.324 1.788 10 30 ADEEMO C[N@@H+](CCOCCS)C1CC1 87057119 572348549 /nfs/dbraw/zinc/34/85/49/572348549.db2.gz TVFRZCCXMPUAJP-UHFFFAOYSA-N 1 1 175.297 1.027 10 30 ADEEMO CC[C@@H](C)[N@@H+](C)CCOCCS 87057209 572348574 /nfs/dbraw/zinc/34/85/74/572348574.db2.gz OKGZIUJYKXSKTG-SECBINFHSA-N 1 1 191.340 1.663 10 30 ADEEMO CC[C@@H](CS)C[N@@H+](C)CCC#N 87054218 572348589 /nfs/dbraw/zinc/34/85/89/572348589.db2.gz AFCTZZUHBSWLDS-SECBINFHSA-N 1 1 186.324 1.788 10 30 ADEEMO C[C@H](O)C[N@@H+](C)CC(C)(C)CS 87050578 572348606 /nfs/dbraw/zinc/34/86/06/572348606.db2.gz RDXNWSWWWNYQBL-QMMMGPOBSA-N 1 1 191.340 1.255 10 30 ADEEMO CCOCC[N@@H+](CC)CCS 87051928 572348614 /nfs/dbraw/zinc/34/86/14/572348614.db2.gz QGYRCDNLYRVTGE-UHFFFAOYSA-N 1 1 177.313 1.275 10 30 ADEEMO CC#CC[NH2+][C@@H](C)c1cnc(C)cn1 307103516 572348636 /nfs/dbraw/zinc/34/86/36/572348636.db2.gz WPQGMYVZBPNYPD-JTQLQIEISA-N 1 1 189.262 1.459 10 30 ADEEMO OCCC[C@H]1CCC[N@H+]1CCS 87051767 572348720 /nfs/dbraw/zinc/34/87/20/572348720.db2.gz YQZKBNPCSQWDAW-SECBINFHSA-N 1 1 189.324 1.153 10 30 ADEEMO CCC[N@@H+](CC)CCOCCS 87057282 572348798 /nfs/dbraw/zinc/34/87/98/572348798.db2.gz WOGANCNWTWVABL-UHFFFAOYSA-N 1 1 191.340 1.665 10 30 ADEEMO CC[C@@H]1C[N@@H+](CCCS)CCO1 87058123 572350636 /nfs/dbraw/zinc/35/06/36/572350636.db2.gz JVEDFUDUIMAPOA-SECBINFHSA-N 1 1 189.324 1.417 10 30 ADEEMO C[N@@H+](CCS)C[C@H]1CCCOC1 87052670 572348936 /nfs/dbraw/zinc/34/89/36/572348936.db2.gz IMPSCLXTGVUIOT-SECBINFHSA-N 1 1 189.324 1.275 10 30 ADEEMO CCCC#CCC[N@H+]1CCC[C@@H]1CO 238218709 572348992 /nfs/dbraw/zinc/34/89/92/572348992.db2.gz XJOUEHZMBDEGPZ-GFCCVEGCSA-N 1 1 195.306 1.637 10 30 ADEEMO C[N@@H+](CCS)CCc1ccccn1 87056339 572349069 /nfs/dbraw/zinc/34/90/69/572349069.db2.gz YTSWHJQFFAQIJO-UHFFFAOYSA-N 1 1 196.319 1.486 10 30 ADEEMO CN(C)CC[N@@H+](C)CCCCS 87052849 572349220 /nfs/dbraw/zinc/34/92/20/572349220.db2.gz WEKREYBRJVTOAU-UHFFFAOYSA-N 1 1 190.356 1.190 10 30 ADEEMO CN(CCCCS)CC[NH+](C)C 87052849 572349222 /nfs/dbraw/zinc/34/92/22/572349222.db2.gz WEKREYBRJVTOAU-UHFFFAOYSA-N 1 1 190.356 1.190 10 30 ADEEMO C[N@H+](CCC#N)CCCCCS 87054180 572349230 /nfs/dbraw/zinc/34/92/30/572349230.db2.gz SUMFDIWPKXNKRL-UHFFFAOYSA-N 1 1 186.324 1.932 10 30 ADEEMO C[C@H](CS)C[N@@H+](C)CCC#N 87054220 572349263 /nfs/dbraw/zinc/34/92/63/572349263.db2.gz OALBUPFVXQXIFY-QMMMGPOBSA-N 1 1 172.297 1.398 10 30 ADEEMO C[N@@H+](CCS)C[C@@H]1CCCOC1 87052669 572349307 /nfs/dbraw/zinc/34/93/07/572349307.db2.gz IMPSCLXTGVUIOT-VIFPVBQESA-N 1 1 189.324 1.275 10 30 ADEEMO C[C@H]1C[C@@H]1C[N@@H+](C)CCCS 87053302 572349327 /nfs/dbraw/zinc/34/93/27/572349327.db2.gz MTABBCYERQGZIJ-DTWKUNHWSA-N 1 1 173.325 1.894 10 30 ADEEMO CC[C@@H](CS)C[N@@H+](C)C[C@@H](C)O 87050601 572349343 /nfs/dbraw/zinc/34/93/43/572349343.db2.gz ZJEKVANNNHIOGJ-RKDXNWHRSA-N 1 1 191.340 1.255 10 30 ADEEMO CC(C)[N@@H+](C)CCOCCS 87055170 572349407 /nfs/dbraw/zinc/34/94/07/572349407.db2.gz KBIKRQPDEIDNFN-UHFFFAOYSA-N 1 1 177.313 1.273 10 30 ADEEMO C[C@H](O)C[N@@H+](C)CCCCS 87050529 572349429 /nfs/dbraw/zinc/34/94/29/572349429.db2.gz YMRBGBKNQRQVCT-QMMMGPOBSA-N 1 1 177.313 1.009 10 30 ADEEMO OCC[C@H]1CCCC[N@H+]1CCS 87055566 572349490 /nfs/dbraw/zinc/34/94/90/572349490.db2.gz CQYRQIZRCZQLBB-SECBINFHSA-N 1 1 189.324 1.153 10 30 ADEEMO C[C@@H](CS)C[N@@H+](C)CCN(C)C 87052898 572349501 /nfs/dbraw/zinc/34/95/01/572349501.db2.gz CQOUDEXAMWOMBD-SECBINFHSA-N 1 1 190.356 1.046 10 30 ADEEMO C[C@@H](CS)CN(C)CC[NH+](C)C 87052898 572349504 /nfs/dbraw/zinc/34/95/04/572349504.db2.gz CQOUDEXAMWOMBD-SECBINFHSA-N 1 1 190.356 1.046 10 30 ADEEMO C[C@@H](O)C[N@@H+](C)CC(C)(C)CS 87050582 572350258 /nfs/dbraw/zinc/35/02/58/572350258.db2.gz RDXNWSWWWNYQBL-MRVPVSSYSA-N 1 1 191.340 1.255 10 30 ADEEMO CC[C@H]1C[N@@H+](CCCS)CCO1 87058127 572349635 /nfs/dbraw/zinc/34/96/35/572349635.db2.gz JVEDFUDUIMAPOA-VIFPVBQESA-N 1 1 189.324 1.417 10 30 ADEEMO C[C@H](O)C[N@@H+](C)CCCCCS 87050524 572349730 /nfs/dbraw/zinc/34/97/30/572349730.db2.gz MHRIKKWFJJMLLB-VIFPVBQESA-N 1 1 191.340 1.399 10 30 ADEEMO C[C@H]1C[N@@H+](CCCCS)CCO1 87054904 572349745 /nfs/dbraw/zinc/34/97/45/572349745.db2.gz IZHFRTSXZQQMIB-VIFPVBQESA-N 1 1 189.324 1.417 10 30 ADEEMO CC(=[NH2+])NN=C(C)c1ccccc1 307985063 572349778 /nfs/dbraw/zinc/34/97/78/572349778.db2.gz IHPWEFZQDPDIGX-UHFFFAOYSA-N 1 1 175.235 1.788 10 30 ADEEMO C[C@@H](O)C[N@@H+](C)CCCCS 87050530 572350160 /nfs/dbraw/zinc/35/01/60/572350160.db2.gz YMRBGBKNQRQVCT-MRVPVSSYSA-N 1 1 177.313 1.009 10 30 ADEEMO C[C@@H](O)C[N@@H+](C)CCCCCS 87050527 572350274 /nfs/dbraw/zinc/35/02/74/572350274.db2.gz MHRIKKWFJJMLLB-SECBINFHSA-N 1 1 191.340 1.399 10 30 ADEEMO CC[C@H](CS)C[N@H+]1CC[C@H](O)C1 87051676 572350527 /nfs/dbraw/zinc/35/05/27/572350527.db2.gz XLDZXEXRWYMNTK-IUCAKERBSA-N 1 1 189.324 1.009 10 30 ADEEMO O[C@@H]1CC[N@@H+](CCCCCS)C1 87051583 572350603 /nfs/dbraw/zinc/35/06/03/572350603.db2.gz RVZMODLAZKSXBD-SECBINFHSA-N 1 1 189.324 1.153 10 30 ADEEMO C[N@H+](CCC#N)CC(C)(C)CS 87054209 572350763 /nfs/dbraw/zinc/35/07/63/572350763.db2.gz VEZCVORYGKLVKL-UHFFFAOYSA-N 1 1 186.324 1.788 10 30 ADEEMO C[N@@H+](CCC#N)CC(C)(C)CS 87054209 572350769 /nfs/dbraw/zinc/35/07/69/572350769.db2.gz VEZCVORYGKLVKL-UHFFFAOYSA-N 1 1 186.324 1.788 10 30 ADEEMO CC[C@H](C)ON=C1CC[N@H+](C)C1 307985594 572350831 /nfs/dbraw/zinc/35/08/31/572350831.db2.gz QYTQGPZGQHIVKZ-QMMMGPOBSA-N 1 1 170.256 1.493 10 30 ADEEMO CC[C@H](C)ON=C1CC[N@@H+](C)C1 307985594 572350835 /nfs/dbraw/zinc/35/08/35/572350835.db2.gz QYTQGPZGQHIVKZ-QMMMGPOBSA-N 1 1 170.256 1.493 10 30 ADEEMO CC[C@H](C)[N@@H+](C)CCOCCS 87057211 572350972 /nfs/dbraw/zinc/35/09/72/572350972.db2.gz OKGZIUJYKXSKTG-VIFPVBQESA-N 1 1 191.340 1.663 10 30 ADEEMO C[C@@H]1C[C@H]1C[N@@H+](C)CCCS 87053306 572351043 /nfs/dbraw/zinc/35/10/43/572351043.db2.gz MTABBCYERQGZIJ-BDAKNGLRSA-N 1 1 173.325 1.894 10 30 ADEEMO CC[N@@H+](CCOCCS)C1CC1 87057058 572351081 /nfs/dbraw/zinc/35/10/81/572351081.db2.gz NFFFKWQLAZSMQH-UHFFFAOYSA-N 1 1 189.324 1.417 10 30 ADEEMO C[N@@H+](CCC#N)C[C@@H]1CCSC1 307988024 572351087 /nfs/dbraw/zinc/35/10/87/572351087.db2.gz RYSWMFZDNNJJGG-VIFPVBQESA-N 1 1 184.308 1.585 10 30 ADEEMO CC[C@@H](CS)C[N@H+]1CC[C@H](O)C1 87051681 572351208 /nfs/dbraw/zinc/35/12/08/572351208.db2.gz XLDZXEXRWYMNTK-BDAKNGLRSA-N 1 1 189.324 1.009 10 30 ADEEMO CCCC[N@@H+](C)CCOCCS 87056040 572351231 /nfs/dbraw/zinc/35/12/31/572351231.db2.gz BBWNXKQHBMLIQD-UHFFFAOYSA-N 1 1 191.340 1.665 10 30 ADEEMO OCCC[C@@H]1CCC[N@H+]1CCS 87051769 572351238 /nfs/dbraw/zinc/35/12/38/572351238.db2.gz YQZKBNPCSQWDAW-VIFPVBQESA-N 1 1 189.324 1.153 10 30 ADEEMO C[C@@H]1C[C@@H]1C[N@@H+](C)CCCS 87053299 572351264 /nfs/dbraw/zinc/35/12/64/572351264.db2.gz MTABBCYERQGZIJ-RKDXNWHRSA-N 1 1 173.325 1.894 10 30 ADEEMO C[N@H+](CCC#N)CC1(CS)CC1 87054238 572351302 /nfs/dbraw/zinc/35/13/02/572351302.db2.gz KMCFVUTZFQPIJU-UHFFFAOYSA-N 1 1 184.308 1.542 10 30 ADEEMO C[N@@H+](CCC#N)CC1(CS)CC1 87054238 572351307 /nfs/dbraw/zinc/35/13/07/572351307.db2.gz KMCFVUTZFQPIJU-UHFFFAOYSA-N 1 1 184.308 1.542 10 30 ADEEMO CCOCC[N@@H+](CC)CCCS 87051906 572351338 /nfs/dbraw/zinc/35/13/38/572351338.db2.gz PRTNZXTZLZJCGV-UHFFFAOYSA-N 1 1 191.340 1.665 10 30 ADEEMO CC[C@@H](C)ON=C1CC[N@H+](C)C1 307985592 572351365 /nfs/dbraw/zinc/35/13/65/572351365.db2.gz QYTQGPZGQHIVKZ-MRVPVSSYSA-N 1 1 170.256 1.493 10 30 ADEEMO CC[C@@H](C)ON=C1CC[N@@H+](C)C1 307985592 572351368 /nfs/dbraw/zinc/35/13/68/572351368.db2.gz QYTQGPZGQHIVKZ-MRVPVSSYSA-N 1 1 170.256 1.493 10 30 ADEEMO C[N@H+](CCC#N)CCCCS 87054182 572351454 /nfs/dbraw/zinc/35/14/54/572351454.db2.gz HBXUHXZWJCEYHS-UHFFFAOYSA-N 1 1 172.297 1.542 10 30 ADEEMO C[C@@H]1C[N@@H+](CCCCS)CCO1 87054901 572351467 /nfs/dbraw/zinc/35/14/67/572351467.db2.gz IZHFRTSXZQQMIB-SECBINFHSA-N 1 1 189.324 1.417 10 30 ADEEMO C[C@H]1CCC[N@H+]1CCOCCS 87054149 572351537 /nfs/dbraw/zinc/35/15/37/572351537.db2.gz WAIBUJQVXJHSQB-VIFPVBQESA-N 1 1 189.324 1.417 10 30 ADEEMO C[C@@H]1CCC[N@H+]1CCOCCS 87054147 572351595 /nfs/dbraw/zinc/35/15/95/572351595.db2.gz WAIBUJQVXJHSQB-SECBINFHSA-N 1 1 189.324 1.417 10 30 ADEEMO C[C@H]1C[C@H]1C[N@@H+](C)CCCS 87053309 572351605 /nfs/dbraw/zinc/35/16/05/572351605.db2.gz MTABBCYERQGZIJ-IUCAKERBSA-N 1 1 173.325 1.894 10 30 ADEEMO C[N@@H+](CCC#N)C[C@H]1CCSC1 307988023 572351641 /nfs/dbraw/zinc/35/16/41/572351641.db2.gz RYSWMFZDNNJJGG-SECBINFHSA-N 1 1 184.308 1.585 10 30 ADEEMO C[C@H](CS)C[N@@H+](C)CCN(C)C 87052896 572351678 /nfs/dbraw/zinc/35/16/78/572351678.db2.gz CQOUDEXAMWOMBD-VIFPVBQESA-N 1 1 190.356 1.046 10 30 ADEEMO C[C@H](CS)CN(C)CC[NH+](C)C 87052896 572351682 /nfs/dbraw/zinc/35/16/82/572351682.db2.gz CQOUDEXAMWOMBD-VIFPVBQESA-N 1 1 190.356 1.046 10 30 ADEEMO C[C@H](O)C[N@@H+](C)CC1(CS)CC1 87050632 572351713 /nfs/dbraw/zinc/35/17/13/572351713.db2.gz HKRMSCWJRWPKMB-QMMMGPOBSA-N 1 1 189.324 1.009 10 30 ADEEMO C[N@H+](CCC#N)CC1(CS)CCC1 87054203 572351722 /nfs/dbraw/zinc/35/17/22/572351722.db2.gz SPYSJADDNCNEHH-UHFFFAOYSA-N 1 1 198.335 1.932 10 30 ADEEMO C[N@@H+](CCC#N)CC1(CS)CCC1 87054203 572351741 /nfs/dbraw/zinc/35/17/41/572351741.db2.gz SPYSJADDNCNEHH-UHFFFAOYSA-N 1 1 198.335 1.932 10 30 ADEEMO C[N@@H+](CCS)CC1CCOCC1 87052530 572351980 /nfs/dbraw/zinc/35/19/80/572351980.db2.gz BPVHMBRQRPDBBN-UHFFFAOYSA-N 1 1 189.324 1.275 10 30 ADEEMO O[C@H]1CC[N@@H+](CCCCCS)C1 87051585 572352052 /nfs/dbraw/zinc/35/20/52/572352052.db2.gz RVZMODLAZKSXBD-VIFPVBQESA-N 1 1 189.324 1.153 10 30 ADEEMO C[C@@H](CC#N)[N@@H+](C)CCCCS 87060156 572352531 /nfs/dbraw/zinc/35/25/31/572352531.db2.gz ZIJHPISLMQBYIM-VIFPVBQESA-N 1 1 186.324 1.930 10 30 ADEEMO C[C@@H]1CC[N@@H+](CCOCCS)C1 87059538 572352863 /nfs/dbraw/zinc/35/28/63/572352863.db2.gz OMVRWXLUENHDNW-SECBINFHSA-N 1 1 189.324 1.275 10 30 ADEEMO C[C@H](CC#N)[N@H+](C)C/C=C/CS 87060219 572352903 /nfs/dbraw/zinc/35/29/03/572352903.db2.gz QBEKOEMQUKMIPO-CDAZIORVSA-N 1 1 184.308 1.706 10 30 ADEEMO C[C@H](CC#N)[N@@H+](C)C/C=C/CS 87060219 572352908 /nfs/dbraw/zinc/35/29/08/572352908.db2.gz QBEKOEMQUKMIPO-CDAZIORVSA-N 1 1 184.308 1.706 10 30 ADEEMO CC[N@@H+](CCO)CCCCCS 87059231 572352937 /nfs/dbraw/zinc/35/29/37/572352937.db2.gz PLAPADKULVNBRE-UHFFFAOYSA-N 1 1 191.340 1.401 10 30 ADEEMO C[C@@H]1COCC[N@H+]1CCCCS 87057963 572352955 /nfs/dbraw/zinc/35/29/55/572352955.db2.gz GKZZGEOBGXJQMZ-SECBINFHSA-N 1 1 189.324 1.417 10 30 ADEEMO CC(C)C[N@@H+](C)CCOCCS 87057453 572353140 /nfs/dbraw/zinc/35/31/40/572353140.db2.gz SACXDUFDRITFPW-UHFFFAOYSA-N 1 1 191.340 1.521 10 30 ADEEMO C[C@H]1CC[N@@H+](CCOCCS)C1 87059540 572353503 /nfs/dbraw/zinc/35/35/03/572353503.db2.gz OMVRWXLUENHDNW-VIFPVBQESA-N 1 1 189.324 1.275 10 30 ADEEMO C[C@H]1COCC[N@H+]1CCCCS 87057965 572353270 /nfs/dbraw/zinc/35/32/70/572353270.db2.gz GKZZGEOBGXJQMZ-VIFPVBQESA-N 1 1 189.324 1.417 10 30 ADEEMO COCCC[N@@H+](C)C/C=C/CS 87059999 572353329 /nfs/dbraw/zinc/35/33/29/572353329.db2.gz KKBSYTFOHLWPEZ-ONEGZZNKSA-N 1 1 189.324 1.441 10 30 ADEEMO C[N@@H+](C/C=C/CS)CC1CC1 87059409 572353343 /nfs/dbraw/zinc/35/33/43/572353343.db2.gz YFYIBHLKHDIAMB-NSCUHMNNSA-N 1 1 171.309 1.814 10 30 ADEEMO COCCC[N@@H+](C)C[C@H](C)CS 87059984 572355223 /nfs/dbraw/zinc/35/52/23/572355223.db2.gz RBMBQFXKBDHYJK-VIFPVBQESA-N 1 1 191.340 1.521 10 30 ADEEMO C[N@@H+](CCO)CCCCCS 87059296 572355326 /nfs/dbraw/zinc/35/53/26/572355326.db2.gz BOMXNIVZNDYHBT-UHFFFAOYSA-N 1 1 177.313 1.011 10 30 ADEEMO CC(C)[N@@H+](CCS)CCCO 87076015 572353414 /nfs/dbraw/zinc/35/34/14/572353414.db2.gz DRSOTCAIHXUDED-UHFFFAOYSA-N 1 1 177.313 1.009 10 30 ADEEMO CC[N@@H+](CCO)CC1(CS)CC1 87059290 572353547 /nfs/dbraw/zinc/35/35/47/572353547.db2.gz ULWWVRUXKKXDRX-UHFFFAOYSA-N 1 1 189.324 1.011 10 30 ADEEMO C#C[C@@H]([NH2+]CC)c1cc(C)n(C)n1 300963549 572353857 /nfs/dbraw/zinc/35/38/57/572353857.db2.gz VVLVCQAOHNIMFP-SECBINFHSA-N 1 1 177.251 1.012 10 30 ADEEMO C[N@@H+](CCOCCS)CC1CC1 87059394 572353971 /nfs/dbraw/zinc/35/39/71/572353971.db2.gz IHSFEFAMZIPCSS-UHFFFAOYSA-N 1 1 189.324 1.275 10 30 ADEEMO CCC[C@H](CS)C[N@@H+](C)CCO 87059305 572353989 /nfs/dbraw/zinc/35/39/89/572353989.db2.gz ZQIBJAZIKUPSJI-VIFPVBQESA-N 1 1 191.340 1.257 10 30 ADEEMO C[C@@H](CC#N)[N@@H+](C)CCCS 87060160 572354130 /nfs/dbraw/zinc/35/41/30/572354130.db2.gz DNYRAZMKPQBEPA-QMMMGPOBSA-N 1 1 172.297 1.540 10 30 ADEEMO C#CCCC[N@@H+]1CCC[C@H](O)[C@H]1C 307119618 572354137 /nfs/dbraw/zinc/35/41/37/572354137.db2.gz SEKBDWCQUZPXNB-MNOVXSKESA-N 1 1 181.279 1.245 10 30 ADEEMO CC(C)[C@@H](CS)C[N@@H+](C)CCO 87059345 572354313 /nfs/dbraw/zinc/35/43/13/572354313.db2.gz MMRZUGXROQLRCV-SECBINFHSA-N 1 1 191.340 1.113 10 30 ADEEMO C#C[C@@](C)(CC)[N@H+]1CCNC[C@H]1CC 307153311 572354288 /nfs/dbraw/zinc/35/42/88/572354288.db2.gz AMHXYMHVRNGPDX-NEPJUHHUSA-N 1 1 194.322 1.472 10 30 ADEEMO C#C[C@@](C)(CC)[N@@H+]1CCNC[C@H]1CC 307153311 572354291 /nfs/dbraw/zinc/35/42/91/572354291.db2.gz AMHXYMHVRNGPDX-NEPJUHHUSA-N 1 1 194.322 1.472 10 30 ADEEMO C[C@@H](CC#N)[N@H+](C)C/C=C/CS 87060218 572354388 /nfs/dbraw/zinc/35/43/88/572354388.db2.gz QBEKOEMQUKMIPO-NWALNABHSA-N 1 1 184.308 1.706 10 30 ADEEMO C[C@@H](CC#N)[N@@H+](C)C/C=C/CS 87060218 572354392 /nfs/dbraw/zinc/35/43/92/572354392.db2.gz QBEKOEMQUKMIPO-NWALNABHSA-N 1 1 184.308 1.706 10 30 ADEEMO COCCC[N@@H+](C)CCCS 87059957 572354763 /nfs/dbraw/zinc/35/47/63/572354763.db2.gz RCGDKNSBHCWRMF-UHFFFAOYSA-N 1 1 177.313 1.275 10 30 ADEEMO Cc1ccc(C[N@@H+](C)CCS)o1 87057877 572354774 /nfs/dbraw/zinc/35/47/74/572354774.db2.gz FIRQHWLADADYIV-UHFFFAOYSA-N 1 1 185.292 1.950 10 30 ADEEMO CC(C)[N@@H+](CCCO)CCCS 87076003 572354911 /nfs/dbraw/zinc/35/49/11/572354911.db2.gz YCXRNFBGNQECGP-UHFFFAOYSA-N 1 1 191.340 1.399 10 30 ADEEMO C[C@@H](CS)C[N@@H+](C)CC1CC1 87059392 572354921 /nfs/dbraw/zinc/35/49/21/572354921.db2.gz ZZBPKAASMPORTQ-MRVPVSSYSA-N 1 1 173.325 1.894 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CC[C@@H](OC)C1 307199034 572355102 /nfs/dbraw/zinc/35/51/02/572355102.db2.gz ZCFMDLVDFSUKSG-RKDXNWHRSA-N 1 1 155.241 1.282 10 30 ADEEMO C[C@H](CC#N)[N@@H+](C)CCCCS 87060158 572355157 /nfs/dbraw/zinc/35/51/57/572355157.db2.gz ZIJHPISLMQBYIM-SECBINFHSA-N 1 1 186.324 1.930 10 30 ADEEMO C=CC[C@@H]([NH3+])c1nnc(CCS)o1 238649224 572355923 /nfs/dbraw/zinc/35/59/23/572355923.db2.gz DMYKIGATFCDEAX-ZCFIWIBFSA-N 1 1 199.279 1.118 10 30 ADEEMO Cn1ccnc1C[N@H+](C)CCCS 87060107 572355338 /nfs/dbraw/zinc/35/53/38/572355338.db2.gz GLIFQBVXFIJGOB-UHFFFAOYSA-N 1 1 199.323 1.172 10 30 ADEEMO Cn1ccnc1C[N@@H+](C)CCCS 87060107 572355341 /nfs/dbraw/zinc/35/53/41/572355341.db2.gz GLIFQBVXFIJGOB-UHFFFAOYSA-N 1 1 199.323 1.172 10 30 ADEEMO CC(C)(C)[N@H+]1CCCC[C@H]1C=O 140900364 572355454 /nfs/dbraw/zinc/35/54/54/572355454.db2.gz VWPOTCLNMKGOMS-VIFPVBQESA-N 1 1 169.268 1.838 10 30 ADEEMO CC[C@@H](CS)C[N@@H+](CC)CCO 87059269 572356113 /nfs/dbraw/zinc/35/61/13/572356113.db2.gz AHONWXZNRBFOSA-SECBINFHSA-N 1 1 191.340 1.257 10 30 ADEEMO C[C@@H](CCS)CC[N@@H+](C)CCO 87059341 572355565 /nfs/dbraw/zinc/35/55/65/572355565.db2.gz NTNSVLQBMSGUSA-SECBINFHSA-N 1 1 191.340 1.257 10 30 ADEEMO C[C@H](CS)C[N@@H+](C)CC1CC1 87059389 572355703 /nfs/dbraw/zinc/35/57/03/572355703.db2.gz ZZBPKAASMPORTQ-QMMMGPOBSA-N 1 1 173.325 1.894 10 30 ADEEMO C[C@H](CC#N)[N@@H+](C)CCCS 87060162 572355836 /nfs/dbraw/zinc/35/58/36/572355836.db2.gz DNYRAZMKPQBEPA-MRVPVSSYSA-N 1 1 172.297 1.540 10 30 ADEEMO C[C@@H](CC#N)[N@@H+](C)CC1(CS)CC1 87060216 572355846 /nfs/dbraw/zinc/35/58/46/572355846.db2.gz YQSAWZBVXHTRQA-VIFPVBQESA-N 1 1 198.335 1.930 10 30 ADEEMO C=CC[C@@H]([NH3+])c1nnc(C2CCC2)o1 238649992 572355951 /nfs/dbraw/zinc/35/59/51/572355951.db2.gz VZPWWASONAGXKG-MRVPVSSYSA-N 1 1 193.250 1.913 10 30 ADEEMO C[C@H](CC#N)[N@@H+](C)CC1(O)CCCC1 83587293 572355971 /nfs/dbraw/zinc/35/59/71/572355971.db2.gz HCMZUZFMDPYVQE-SNVBAGLBSA-N 1 1 196.294 1.525 10 30 ADEEMO C=CCCc1nnc([C@H]([NH3+])CC=C)o1 238649199 572356013 /nfs/dbraw/zinc/35/60/13/572356013.db2.gz LCPODMXFPHKAQH-MRVPVSSYSA-N 1 1 193.250 1.764 10 30 ADEEMO C=CC[C@@H]([NH3+])c1nnc(CC2CC2)o1 238650056 572356024 /nfs/dbraw/zinc/35/60/24/572356024.db2.gz SYJNMMHNBMTWJO-MRVPVSSYSA-N 1 1 193.250 1.598 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCC2(C1)OCCO2 307147997 572356047 /nfs/dbraw/zinc/35/60/47/572356047.db2.gz PNXQWMUBDVQDIE-SECBINFHSA-N 1 1 183.251 1.010 10 30 ADEEMO C[N@@H+](CCO)CCCCCCS 87059322 572356176 /nfs/dbraw/zinc/35/61/76/572356176.db2.gz RMVMJYWNPRTTDU-UHFFFAOYSA-N 1 1 191.340 1.401 10 30 ADEEMO C[C@H](CCS)CC[N@@H+](C)CCO 87059339 572356206 /nfs/dbraw/zinc/35/62/06/572356206.db2.gz NTNSVLQBMSGUSA-VIFPVBQESA-N 1 1 191.340 1.257 10 30 ADEEMO C[C@@H](CC#N)[N@H+](C)C[C@@H](C)CS 87060202 572356300 /nfs/dbraw/zinc/35/63/00/572356300.db2.gz YJRZDUKMSVUXID-BDAKNGLRSA-N 1 1 186.324 1.786 10 30 ADEEMO C=CCCC[N@H+]1C[C@@H](C)C[C@H](N)C1 87041851 572356316 /nfs/dbraw/zinc/35/63/16/572356316.db2.gz UBWISLFCZYIMQN-QWRGUYRKSA-N 1 1 182.311 1.622 10 30 ADEEMO C=CCCCN1C[C@@H](C)C[C@H]([NH3+])C1 87041851 572356320 /nfs/dbraw/zinc/35/63/20/572356320.db2.gz UBWISLFCZYIMQN-QWRGUYRKSA-N 1 1 182.311 1.622 10 30 ADEEMO COCCC[N@@H+](C)C[C@@H](C)CS 87059986 572356339 /nfs/dbraw/zinc/35/63/39/572356339.db2.gz RBMBQFXKBDHYJK-SECBINFHSA-N 1 1 191.340 1.521 10 30 ADEEMO CC[C@H](CS)C[N@@H+](CC)CCO 87059268 572356432 /nfs/dbraw/zinc/35/64/32/572356432.db2.gz AHONWXZNRBFOSA-VIFPVBQESA-N 1 1 191.340 1.257 10 30 ADEEMO C[C@H](CC#N)[N@@H+](C)CC1(CS)CC1 87060217 572356529 /nfs/dbraw/zinc/35/65/29/572356529.db2.gz YQSAWZBVXHTRQA-SECBINFHSA-N 1 1 198.335 1.930 10 30 ADEEMO C[C@@H](CS)C[N@@H+](C)[C@H](C)CC#N 87060204 572356620 /nfs/dbraw/zinc/35/66/20/572356620.db2.gz YJRZDUKMSVUXID-RKDXNWHRSA-N 1 1 186.324 1.786 10 30 ADEEMO CC[N@@H+](CCO)CC(C)(C)CS 87059260 572356638 /nfs/dbraw/zinc/35/66/38/572356638.db2.gz DGFOIZDDHIDAQY-UHFFFAOYSA-N 1 1 191.340 1.257 10 30 ADEEMO C#CC[N@H+](C)C/C=C/Cl 307175002 572356671 /nfs/dbraw/zinc/35/66/71/572356671.db2.gz FNIXDYPQXLUWEV-SNAWJCMRSA-N 1 1 143.617 1.304 10 30 ADEEMO C#CC[N@@H+](C)C/C=C/Cl 307175002 572356674 /nfs/dbraw/zinc/35/66/74/572356674.db2.gz FNIXDYPQXLUWEV-SNAWJCMRSA-N 1 1 143.617 1.304 10 30 ADEEMO SCCCC[N@H+]1CCCOCC1 87060359 572356706 /nfs/dbraw/zinc/35/67/06/572356706.db2.gz IOVMDPMIQOGDCM-UHFFFAOYSA-N 1 1 189.324 1.419 10 30 ADEEMO C[N@@H+](CCO)CC1(CS)CCC1 87059311 572356751 /nfs/dbraw/zinc/35/67/51/572356751.db2.gz OZASGNGZGYFXKK-UHFFFAOYSA-N 1 1 189.324 1.011 10 30 ADEEMO COCCC[N@@H+](C)CCCCS 87059954 572356849 /nfs/dbraw/zinc/35/68/49/572356849.db2.gz RZQQLLDGQMTQDB-UHFFFAOYSA-N 1 1 191.340 1.665 10 30 ADEEMO C[N@@H+](CCS)CCc1ccncc1 87059215 572356984 /nfs/dbraw/zinc/35/69/84/572356984.db2.gz KFMPMHBUYXWUIX-UHFFFAOYSA-N 1 1 196.319 1.486 10 30 ADEEMO CC[N@@H+](CCO)CCCCS 87059233 572356999 /nfs/dbraw/zinc/35/69/99/572356999.db2.gz BQLUZZMGUBTFNQ-UHFFFAOYSA-N 1 1 177.313 1.011 10 30 ADEEMO CC[N@H+](CCC#N)CCCCS 87073855 572357499 /nfs/dbraw/zinc/35/74/99/572357499.db2.gz HLIGJXQGTGAFCR-UHFFFAOYSA-N 1 1 186.324 1.932 10 30 ADEEMO C[C@@H](CC#N)[N@@H+](C)CC1(O)CCCC1 83587291 572357342 /nfs/dbraw/zinc/35/73/42/572357342.db2.gz HCMZUZFMDPYVQE-JTQLQIEISA-N 1 1 196.294 1.525 10 30 ADEEMO C[C@H](CS)C[N@H+]1CCC[C@@H]1CO 87074068 572357401 /nfs/dbraw/zinc/35/74/01/572357401.db2.gz PLRKFCDLNDQUQS-DTWKUNHWSA-N 1 1 189.324 1.009 10 30 ADEEMO C=CCC[N@@H+](CC=C)CCCO 238667162 572357405 /nfs/dbraw/zinc/35/74/05/572357405.db2.gz ZLKSZUJNXILBPL-UHFFFAOYSA-N 1 1 169.268 1.433 10 30 ADEEMO C[N@@H+](CCS)Cc1ccccn1 87058354 572357476 /nfs/dbraw/zinc/35/74/76/572357476.db2.gz MRTAMGIZWKIBGU-UHFFFAOYSA-N 1 1 182.292 1.443 10 30 ADEEMO C[N@@H+](CCCS)C[C@H]1CCCO1 87073248 572357514 /nfs/dbraw/zinc/35/75/14/572357514.db2.gz GESZVCQDSOJMPC-SECBINFHSA-N 1 1 189.324 1.417 10 30 ADEEMO CC(C)[N@H+](C/C=C/CS)CCO 87075872 572357621 /nfs/dbraw/zinc/35/76/21/572357621.db2.gz BHZUFBOJEPXKES-ONEGZZNKSA-N 1 1 189.324 1.175 10 30 ADEEMO CC[N@@H+](CCS)C[C@H]1CCCO1 87072277 572357641 /nfs/dbraw/zinc/35/76/41/572357641.db2.gz ZWKOVTOHZRMJBU-SECBINFHSA-N 1 1 189.324 1.417 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCCSCC1 307125717 572357659 /nfs/dbraw/zinc/35/76/59/572357659.db2.gz AIKFGFMSJGCKQU-VIFPVBQESA-N 1 1 171.309 2.000 10 30 ADEEMO Cc1[nH+]ccn1CCOCCS 87091253 572357691 /nfs/dbraw/zinc/35/76/91/572357691.db2.gz XZPIGYHCHBYTPW-UHFFFAOYSA-N 1 1 186.280 1.138 10 30 ADEEMO CC[N@@H+](CCOC)C[C@@H](C)CS 87073574 572357724 /nfs/dbraw/zinc/35/77/24/572357724.db2.gz DJYPJXNWOODYGO-SECBINFHSA-N 1 1 191.340 1.521 10 30 ADEEMO CC(C)[N@H+](CCS)CCC#N 87074899 572357779 /nfs/dbraw/zinc/35/77/79/572357779.db2.gz FBCMWHPIWMDNMP-UHFFFAOYSA-N 1 1 172.297 1.540 10 30 ADEEMO CC(C)[N@@H+](CCS)CCC#N 87074899 572357783 /nfs/dbraw/zinc/35/77/83/572357783.db2.gz FBCMWHPIWMDNMP-UHFFFAOYSA-N 1 1 172.297 1.540 10 30 ADEEMO CCC[N@@H+](CCS)CCN(C)C 87073936 572357809 /nfs/dbraw/zinc/35/78/09/572357809.db2.gz OIABDGNVAITIFD-UHFFFAOYSA-N 1 1 190.356 1.190 10 30 ADEEMO CCCN(CCS)CC[NH+](C)C 87073936 572357814 /nfs/dbraw/zinc/35/78/14/572357814.db2.gz OIABDGNVAITIFD-UHFFFAOYSA-N 1 1 190.356 1.190 10 30 ADEEMO C[C@@H](C#N)C[N@@H+](C)CCCCS 87072463 572357866 /nfs/dbraw/zinc/35/78/66/572357866.db2.gz STKILKMOBFKWTF-VIFPVBQESA-N 1 1 186.324 1.788 10 30 ADEEMO C[C@H](C#N)C[N@@H+](C)CCCCS 87072461 572357881 /nfs/dbraw/zinc/35/78/81/572357881.db2.gz STKILKMOBFKWTF-SECBINFHSA-N 1 1 186.324 1.788 10 30 ADEEMO CCCC[N@@H+](CCO)CCS 87072712 572357895 /nfs/dbraw/zinc/35/78/95/572357895.db2.gz DETFTUPMTWGUDB-UHFFFAOYSA-N 1 1 177.313 1.011 10 30 ADEEMO CC[N@H+](CCC#N)CCCS 87073857 572357903 /nfs/dbraw/zinc/35/79/03/572357903.db2.gz SNPGANWQDMEJNV-UHFFFAOYSA-N 1 1 172.297 1.542 10 30 ADEEMO CC[C@@H](C)[N@@H+](CCS)CCOC 87074523 572357943 /nfs/dbraw/zinc/35/79/43/572357943.db2.gz RFECWCPHZGPSBW-SECBINFHSA-N 1 1 191.340 1.663 10 30 ADEEMO CC[N@@H+](CCS)[C@@H](C)COC 87071866 572357952 /nfs/dbraw/zinc/35/79/52/572357952.db2.gz LABHWZGOHQVGEI-QMMMGPOBSA-N 1 1 177.313 1.273 10 30 ADEEMO CCC(CC)[N@@H+](CCO)CCS 87074462 572358050 /nfs/dbraw/zinc/35/80/50/572358050.db2.gz URTSOLGUALAVRL-UHFFFAOYSA-N 1 1 191.340 1.399 10 30 ADEEMO CCCC[N@@H+](CCO)CCCS 87072699 572358103 /nfs/dbraw/zinc/35/81/03/572358103.db2.gz GNVUWVGLWJXYBN-UHFFFAOYSA-N 1 1 191.340 1.401 10 30 ADEEMO CC(C)[N@@H+](CCO)C[C@H](C)CS 87075859 572358143 /nfs/dbraw/zinc/35/81/43/572358143.db2.gz CADSWOZKBPPQBP-VIFPVBQESA-N 1 1 191.340 1.255 10 30 ADEEMO CC(C)C[N@@H+](CCS)CCC#N 87072111 572358150 /nfs/dbraw/zinc/35/81/50/572358150.db2.gz KWPDEGUJMYUVAT-UHFFFAOYSA-N 1 1 186.324 1.788 10 30 ADEEMO OCC[N@@H+](CCS)C1CCCC1 87073829 572358159 /nfs/dbraw/zinc/35/81/59/572358159.db2.gz XHONFPCGSPVKPB-UHFFFAOYSA-N 1 1 189.324 1.153 10 30 ADEEMO OC[C@@H]1CCC[N@H+]1CCCCS 87074025 572358175 /nfs/dbraw/zinc/35/81/75/572358175.db2.gz ZFJCXBFCZCZWGW-VIFPVBQESA-N 1 1 189.324 1.153 10 30 ADEEMO CC[C@@H](CS)C[N@@H+](C)CCOC 87075295 572358181 /nfs/dbraw/zinc/35/81/81/572358181.db2.gz PKDZPYXJBKTIFQ-SECBINFHSA-N 1 1 191.340 1.521 10 30 ADEEMO N#CCC[N@@H+](CCCS)C1CC1 87073307 572358239 /nfs/dbraw/zinc/35/82/39/572358239.db2.gz XDWHSEPPIDDHOA-UHFFFAOYSA-N 1 1 184.308 1.684 10 30 ADEEMO N#CCC[N@H+](CCCS)C1CC1 87073307 572358241 /nfs/dbraw/zinc/35/82/41/572358241.db2.gz XDWHSEPPIDDHOA-UHFFFAOYSA-N 1 1 184.308 1.684 10 30 ADEEMO COC[C@@H](C)[N@@H+](C)CCCCS 87072314 572358255 /nfs/dbraw/zinc/35/82/55/572358255.db2.gz ALXHYWDYKXAPHM-SECBINFHSA-N 1 1 191.340 1.663 10 30 ADEEMO CCN(C)N=C1CCC[N@@H+](C)CC1 393713228 572358330 /nfs/dbraw/zinc/35/83/30/572358330.db2.gz BVLUVLLQONJARJ-UHFFFAOYSA-N 1 1 183.299 1.410 10 30 ADEEMO CC[N@H+](CCS)C[C@H](C)C#N 87074754 572358364 /nfs/dbraw/zinc/35/83/64/572358364.db2.gz BWMNZDKNHHANFR-MRVPVSSYSA-N 1 1 172.297 1.398 10 30 ADEEMO CC[N@@H+](CCS)C[C@H](C)C#N 87074754 572358368 /nfs/dbraw/zinc/35/83/68/572358368.db2.gz BWMNZDKNHHANFR-MRVPVSSYSA-N 1 1 172.297 1.398 10 30 ADEEMO CC[N@@H+](C/C=C/CS)CCC#N 87073899 572358430 /nfs/dbraw/zinc/35/84/30/572358430.db2.gz XFTAYJHVRHHXGL-ONEGZZNKSA-N 1 1 184.308 1.708 10 30 ADEEMO CC[N@H+](C/C=C/CS)CCC#N 87073899 572358431 /nfs/dbraw/zinc/35/84/31/572358431.db2.gz XFTAYJHVRHHXGL-ONEGZZNKSA-N 1 1 184.308 1.708 10 30 ADEEMO COC[C@@H](C)[N@@H+](C)CCCS 87072318 572358479 /nfs/dbraw/zinc/35/84/79/572358479.db2.gz NVHUUTGLUCNELS-MRVPVSSYSA-N 1 1 177.313 1.273 10 30 ADEEMO OC[C@H]1CCCC[N@H+]1CCCS 87074565 572358563 /nfs/dbraw/zinc/35/85/63/572358563.db2.gz WQFRYLQPBZIXGR-SECBINFHSA-N 1 1 189.324 1.153 10 30 ADEEMO CC(C)[N@@H+](CCO)CCCS 87075834 572358504 /nfs/dbraw/zinc/35/85/04/572358504.db2.gz OBHBRPSICMPICC-UHFFFAOYSA-N 1 1 177.313 1.009 10 30 ADEEMO COC[C@H](C)[N@@H+](C)C/C=C/CS 87072364 572358527 /nfs/dbraw/zinc/35/85/27/572358527.db2.gz KRTWRVVXBXKVMK-MOVJSRMASA-N 1 1 189.324 1.439 10 30 ADEEMO C[N@@H+](CCS)Cc1cccnc1 87058454 572358541 /nfs/dbraw/zinc/35/85/41/572358541.db2.gz JALIHCQZGUGBEK-UHFFFAOYSA-N 1 1 182.292 1.443 10 30 ADEEMO CC(C)[N@H+](CCC#N)CCCS 87074885 572358584 /nfs/dbraw/zinc/35/85/84/572358584.db2.gz DCPXXYQGVATKSC-UHFFFAOYSA-N 1 1 186.324 1.930 10 30 ADEEMO CC[N@H+](C/C=C/CS)C[C@@H](C)C#N 87074792 572360661 /nfs/dbraw/zinc/36/06/61/572360661.db2.gz GJKHAIPZIHLOIJ-YEZKRMTDSA-N 1 1 198.335 1.954 10 30 ADEEMO C[C@H](CS)C[N@@H+](CCO)C1CC1 87075903 572358649 /nfs/dbraw/zinc/35/86/49/572358649.db2.gz YRPFCIONWUDXLS-QMMMGPOBSA-N 1 1 189.324 1.009 10 30 ADEEMO O[C@@H]1CCC[N@@H+](CCCCS)C1 87074627 572358700 /nfs/dbraw/zinc/35/87/00/572358700.db2.gz SAILGQVEQBYCQJ-SECBINFHSA-N 1 1 189.324 1.153 10 30 ADEEMO C[C@H](C#N)C[N@@H+](C)CC1(CS)CC1 87072520 572358735 /nfs/dbraw/zinc/35/87/35/572358735.db2.gz NJZZHPRCCWCDQO-SECBINFHSA-N 1 1 198.335 1.788 10 30 ADEEMO C[N@@H+](CCS)Cc1ccncc1 87058670 572358816 /nfs/dbraw/zinc/35/88/16/572358816.db2.gz CJVRFHQGOMDWAJ-UHFFFAOYSA-N 1 1 182.292 1.443 10 30 ADEEMO CC[N@H+](CCC#N)CC1(CS)CC1 87073897 572358884 /nfs/dbraw/zinc/35/88/84/572358884.db2.gz FPOJYUIQWAJFIN-UHFFFAOYSA-N 1 1 198.335 1.932 10 30 ADEEMO CC[N@@H+](CCC#N)CC1(CS)CC1 87073897 572358889 /nfs/dbraw/zinc/35/88/89/572358889.db2.gz FPOJYUIQWAJFIN-UHFFFAOYSA-N 1 1 198.335 1.932 10 30 ADEEMO CC#CC[C@@H](N)C[NH+]1CCCCC1 307112488 572358895 /nfs/dbraw/zinc/35/88/95/572358895.db2.gz PZLVROSFMUKKQN-LLVKDONJSA-N 1 1 180.295 1.213 10 30 ADEEMO CCc1[nH+]ccn1C/C=C/CS 87094656 572358897 /nfs/dbraw/zinc/35/88/97/572358897.db2.gz JQGOHEZSZMUBLT-ONEGZZNKSA-N 1 1 182.292 1.932 10 30 ADEEMO C[C@@H](CS)C[N@H+]1CCC[C@@H]1CO 87074069 572358991 /nfs/dbraw/zinc/35/89/91/572358991.db2.gz PLRKFCDLNDQUQS-RKDXNWHRSA-N 1 1 189.324 1.009 10 30 ADEEMO COCC[N@@H+](C)CCCCCS 87075267 572359002 /nfs/dbraw/zinc/35/90/02/572359002.db2.gz YBZXTFSKVLBDLB-UHFFFAOYSA-N 1 1 191.340 1.665 10 30 ADEEMO COCC[N@@H+](C)CC(C)(C)CS 87075286 572359016 /nfs/dbraw/zinc/35/90/16/572359016.db2.gz FDKHKWCNIDNBJR-UHFFFAOYSA-N 1 1 191.340 1.521 10 30 ADEEMO CCC[N@H+](C/C=C/CS)CCO 87073178 572359030 /nfs/dbraw/zinc/35/90/30/572359030.db2.gz SAKCRQCLFRPBKR-ONEGZZNKSA-N 1 1 189.324 1.177 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCCSCC1 307125711 572359113 /nfs/dbraw/zinc/35/91/13/572359113.db2.gz AIKFGFMSJGCKQU-SECBINFHSA-N 1 1 171.309 2.000 10 30 ADEEMO COC[C@@H](C)[N@@H+](C)C/C=C/CS 87072366 572359171 /nfs/dbraw/zinc/35/91/71/572359171.db2.gz KRTWRVVXBXKVMK-XNPJLODASA-N 1 1 189.324 1.439 10 30 ADEEMO CC[N@H+](CCS)C[C@@H](C)C#N 87074751 572359184 /nfs/dbraw/zinc/35/91/84/572359184.db2.gz BWMNZDKNHHANFR-QMMMGPOBSA-N 1 1 172.297 1.398 10 30 ADEEMO CC[N@@H+](CCS)C[C@@H](C)C#N 87074751 572359189 /nfs/dbraw/zinc/35/91/89/572359189.db2.gz BWMNZDKNHHANFR-QMMMGPOBSA-N 1 1 172.297 1.398 10 30 ADEEMO CCC[N@@H+](CCO)CCCS 87073140 572359201 /nfs/dbraw/zinc/35/92/01/572359201.db2.gz RAVVAPZNUPMRBT-UHFFFAOYSA-N 1 1 177.313 1.011 10 30 ADEEMO COC[C@H](C)[N@@H+](C)C[C@@H](C)CS 87072355 572359274 /nfs/dbraw/zinc/35/92/74/572359274.db2.gz DYRILMKSBXYURY-BDAKNGLRSA-N 1 1 191.340 1.519 10 30 ADEEMO C#C[C@@](C)(CC)[N@H+]1CCNC[C@@H]1CC 307153317 572361276 /nfs/dbraw/zinc/36/12/76/572361276.db2.gz AMHXYMHVRNGPDX-RYUDHWBXSA-N 1 1 194.322 1.472 10 30 ADEEMO C[N@@H+](CCCS)Cc1ccncc1 87058662 572359300 /nfs/dbraw/zinc/35/93/00/572359300.db2.gz BGEZUIWBOUMALZ-UHFFFAOYSA-N 1 1 196.319 1.833 10 30 ADEEMO C[C@@H](C#N)C[N@@H+](C)CC1(CS)CC1 87072522 572359314 /nfs/dbraw/zinc/35/93/14/572359314.db2.gz NJZZHPRCCWCDQO-VIFPVBQESA-N 1 1 198.335 1.788 10 30 ADEEMO OC[C@H]1CCC[N@H+]1CCCCS 87074023 572359345 /nfs/dbraw/zinc/35/93/45/572359345.db2.gz ZFJCXBFCZCZWGW-SECBINFHSA-N 1 1 189.324 1.153 10 30 ADEEMO C[C@@H](CS)C[N@@H+](CCO)C1CC1 87075904 572359355 /nfs/dbraw/zinc/35/93/55/572359355.db2.gz YRPFCIONWUDXLS-MRVPVSSYSA-N 1 1 189.324 1.009 10 30 ADEEMO CC[N@@H+](CCCS)[C@@H](C)COC 87071847 572359365 /nfs/dbraw/zinc/35/93/65/572359365.db2.gz VLRSQXKWHNBKHJ-VIFPVBQESA-N 1 1 191.340 1.663 10 30 ADEEMO CC[N@H+](C/C=C/CS)CCOC 87073588 572359411 /nfs/dbraw/zinc/35/94/11/572359411.db2.gz NCIFMYIBPHRWKR-SNAWJCMRSA-N 1 1 189.324 1.441 10 30 ADEEMO C[N@@H+](CCS)C[C@H]1CCCCO1 87072012 572359450 /nfs/dbraw/zinc/35/94/50/572359450.db2.gz WJVWDPKBYJDYMX-SECBINFHSA-N 1 1 189.324 1.417 10 30 ADEEMO CC[N@@H+](CCC#N)C[C@@H](C)CS 87073884 572359474 /nfs/dbraw/zinc/35/94/74/572359474.db2.gz XQBMOQLUQMFEOL-SECBINFHSA-N 1 1 186.324 1.788 10 30 ADEEMO O[C@H]1CCC[N@@H+](CCCCS)C1 87074625 572359512 /nfs/dbraw/zinc/35/95/12/572359512.db2.gz SAILGQVEQBYCQJ-VIFPVBQESA-N 1 1 189.324 1.153 10 30 ADEEMO C#C[C@@](C)(CC)[N@@H+]1CCNC[C@@H]1CC 307153317 572361278 /nfs/dbraw/zinc/36/12/78/572361278.db2.gz AMHXYMHVRNGPDX-RYUDHWBXSA-N 1 1 194.322 1.472 10 30 ADEEMO COCC[N@@H+](CCS)C1CC1 87073519 572359534 /nfs/dbraw/zinc/35/95/34/572359534.db2.gz QINKDIJNLYAYOJ-UHFFFAOYSA-N 1 1 175.297 1.027 10 30 ADEEMO COCC[N@@H+](CCCS)C1CC1 87073506 572359558 /nfs/dbraw/zinc/35/95/58/572359558.db2.gz HQCTXVCNAAAKEC-UHFFFAOYSA-N 1 1 189.324 1.417 10 30 ADEEMO CCC[N@@H+](CCO)CCCCS 87073138 572359612 /nfs/dbraw/zinc/35/96/12/572359612.db2.gz WYFZPOLFBLYRDI-UHFFFAOYSA-N 1 1 191.340 1.401 10 30 ADEEMO C[C@H](CS)C[N@@H+](CCC#N)C1CC1 87073331 572359643 /nfs/dbraw/zinc/35/96/43/572359643.db2.gz OZSGJKDLFHCNMA-VIFPVBQESA-N 1 1 198.335 1.930 10 30 ADEEMO CC[N@@H+](CCCCS)CCOC 87073547 572359735 /nfs/dbraw/zinc/35/97/35/572359735.db2.gz SCOXINCZKIZUTR-UHFFFAOYSA-N 1 1 191.340 1.665 10 30 ADEEMO C[C@@H](CS)C[N@@H+](CCC#N)C1CC1 87073332 572359741 /nfs/dbraw/zinc/35/97/41/572359741.db2.gz OZSGJKDLFHCNMA-SECBINFHSA-N 1 1 198.335 1.930 10 30 ADEEMO C[C@H](C#N)C[N@@H+](C)CCCS 87072465 572359775 /nfs/dbraw/zinc/35/97/75/572359775.db2.gz XHAUNRLKJHKWDT-MRVPVSSYSA-N 1 1 172.297 1.398 10 30 ADEEMO C[C@@H](C#N)C[N@H+](C)C[C@@H](C)CS 87072507 572359784 /nfs/dbraw/zinc/35/97/84/572359784.db2.gz LLNKRMDPKFFOGS-DTWKUNHWSA-N 1 1 186.324 1.644 10 30 ADEEMO Cn1cc(C[N@@H+](C)CCCS)cn1 87074847 572359794 /nfs/dbraw/zinc/35/97/94/572359794.db2.gz IPINGABBMJDVHL-UHFFFAOYSA-N 1 1 199.323 1.172 10 30 ADEEMO CC[C@@H]1COCC[N@H+]1CCCS 87058886 572359847 /nfs/dbraw/zinc/35/98/47/572359847.db2.gz MBVUHZYSGVQGSF-SECBINFHSA-N 1 1 189.324 1.417 10 30 ADEEMO C[C@@H](C#N)C[N@H+](C)C/C=C/CS 87072526 572359856 /nfs/dbraw/zinc/35/98/56/572359856.db2.gz JQPVXBLQYZMUHY-NWALNABHSA-N 1 1 184.308 1.564 10 30 ADEEMO C[C@@H](C#N)C[N@@H+](C)C/C=C/CS 87072526 572359858 /nfs/dbraw/zinc/35/98/58/572359858.db2.gz JQPVXBLQYZMUHY-NWALNABHSA-N 1 1 184.308 1.564 10 30 ADEEMO CCC[N@@H+](CCO)C[C@@H](C)CS 87073165 572359884 /nfs/dbraw/zinc/35/98/84/572359884.db2.gz MIFNZPZPBSJNGB-SECBINFHSA-N 1 1 191.340 1.257 10 30 ADEEMO CC[N@@H+](CCOC)C[C@H](C)CS 87073576 572359951 /nfs/dbraw/zinc/35/99/51/572359951.db2.gz DJYPJXNWOODYGO-VIFPVBQESA-N 1 1 191.340 1.521 10 30 ADEEMO C[C@@H](C#N)C[N@@H+](C)CCCS 87072466 572360245 /nfs/dbraw/zinc/36/02/45/572360245.db2.gz XHAUNRLKJHKWDT-QMMMGPOBSA-N 1 1 172.297 1.398 10 30 ADEEMO COCC[N@@H+](C)C[C@@H](C)CS 87075298 572360258 /nfs/dbraw/zinc/36/02/58/572360258.db2.gz FUCSONWDXLMQKW-MRVPVSSYSA-N 1 1 177.313 1.131 10 30 ADEEMO COCC[N@@H+](C)CC1(CS)CC1 87075311 572360266 /nfs/dbraw/zinc/36/02/66/572360266.db2.gz SWKDDTVVOHPZMC-UHFFFAOYSA-N 1 1 189.324 1.275 10 30 ADEEMO C[N@@H+](CCCS)Cc1ccccn1 87058349 572360319 /nfs/dbraw/zinc/36/03/19/572360319.db2.gz WBRMTRCOKHDCOJ-UHFFFAOYSA-N 1 1 196.319 1.833 10 30 ADEEMO OCC[N@@H+](CCCCS)C1CC1 87075878 572360378 /nfs/dbraw/zinc/36/03/78/572360378.db2.gz HTKGBXVSOLCELJ-UHFFFAOYSA-N 1 1 189.324 1.153 10 30 ADEEMO COC[C@H](C)[N@@H+](C)CCCCS 87072312 572360386 /nfs/dbraw/zinc/36/03/86/572360386.db2.gz ALXHYWDYKXAPHM-VIFPVBQESA-N 1 1 191.340 1.663 10 30 ADEEMO CC[N@@H+](CCS)[C@H](C)COC 87071867 572360414 /nfs/dbraw/zinc/36/04/14/572360414.db2.gz LABHWZGOHQVGEI-MRVPVSSYSA-N 1 1 177.313 1.273 10 30 ADEEMO OC[C@@H]1CCCC[N@H+]1CCCS 87074564 572360495 /nfs/dbraw/zinc/36/04/95/572360495.db2.gz WQFRYLQPBZIXGR-VIFPVBQESA-N 1 1 189.324 1.153 10 30 ADEEMO C[C@H](C#N)C[N@H+](C)C/C=C/CS 87072524 572360547 /nfs/dbraw/zinc/36/05/47/572360547.db2.gz JQPVXBLQYZMUHY-CDAZIORVSA-N 1 1 184.308 1.564 10 30 ADEEMO C[C@H](C#N)C[N@@H+](C)C/C=C/CS 87072524 572360551 /nfs/dbraw/zinc/36/05/51/572360551.db2.gz JQPVXBLQYZMUHY-CDAZIORVSA-N 1 1 184.308 1.564 10 30 ADEEMO COCC[N@@H+](C)C/C=C/CS 87075312 572360579 /nfs/dbraw/zinc/36/05/79/572360579.db2.gz RBQQRCOMJOQZFJ-ONEGZZNKSA-N 1 1 175.297 1.051 10 30 ADEEMO CC[C@H](CS)C[N@@H+](C)CCOC 87075293 572360605 /nfs/dbraw/zinc/36/06/05/572360605.db2.gz PKDZPYXJBKTIFQ-VIFPVBQESA-N 1 1 191.340 1.521 10 30 ADEEMO CCC[N@@H+](CCO)C[C@H](C)CS 87073167 572360609 /nfs/dbraw/zinc/36/06/09/572360609.db2.gz MIFNZPZPBSJNGB-VIFPVBQESA-N 1 1 191.340 1.257 10 30 ADEEMO CC[N@@H+](CCS)C[C@@H]1CCCO1 87072275 572360614 /nfs/dbraw/zinc/36/06/14/572360614.db2.gz ZWKOVTOHZRMJBU-VIFPVBQESA-N 1 1 189.324 1.417 10 30 ADEEMO CC(C)[N@@H+](CCO)CCCCS 87075832 572360629 /nfs/dbraw/zinc/36/06/29/572360629.db2.gz YUPGDZNNXFNGNZ-UHFFFAOYSA-N 1 1 191.340 1.399 10 30 ADEEMO C[N@@H+](CCCS)C1CCOCC1 87058827 572360639 /nfs/dbraw/zinc/36/06/39/572360639.db2.gz YVAWSTXFCRWLFM-UHFFFAOYSA-N 1 1 189.324 1.417 10 30 ADEEMO C[N@@H+](CCCS)Cc1cccnc1 87058448 572360646 /nfs/dbraw/zinc/36/06/46/572360646.db2.gz ANQXCGYRNSIRFM-UHFFFAOYSA-N 1 1 196.319 1.833 10 30 ADEEMO CC[N@@H+](C/C=C/CS)C[C@@H](C)C#N 87074792 572360663 /nfs/dbraw/zinc/36/06/63/572360663.db2.gz GJKHAIPZIHLOIJ-YEZKRMTDSA-N 1 1 198.335 1.954 10 30 ADEEMO CC[N@H+](C/C=C/CS)C[C@H](C)C#N 87074794 572360698 /nfs/dbraw/zinc/36/06/98/572360698.db2.gz GJKHAIPZIHLOIJ-ORAHPGNNSA-N 1 1 198.335 1.954 10 30 ADEEMO CC[N@@H+](C/C=C/CS)C[C@H](C)C#N 87074794 572360701 /nfs/dbraw/zinc/36/07/01/572360701.db2.gz GJKHAIPZIHLOIJ-ORAHPGNNSA-N 1 1 198.335 1.954 10 30 ADEEMO CC[C@H]1COCC[N@H+]1CCCS 87058887 572360709 /nfs/dbraw/zinc/36/07/09/572360709.db2.gz MBVUHZYSGVQGSF-VIFPVBQESA-N 1 1 189.324 1.417 10 30 ADEEMO CC[C@H](C)[N@@H+](CCS)CCOC 87074525 572360750 /nfs/dbraw/zinc/36/07/50/572360750.db2.gz RFECWCPHZGPSBW-VIFPVBQESA-N 1 1 191.340 1.663 10 30 ADEEMO COC[C@H](C)[N@@H+](C)C[C@H](C)CS 87072353 572360752 /nfs/dbraw/zinc/36/07/52/572360752.db2.gz DYRILMKSBXYURY-IUCAKERBSA-N 1 1 191.340 1.519 10 30 ADEEMO C[N@@H+](CCCS)C[C@@H]1CCCO1 87073246 572360756 /nfs/dbraw/zinc/36/07/56/572360756.db2.gz GESZVCQDSOJMPC-VIFPVBQESA-N 1 1 189.324 1.417 10 30 ADEEMO CC[N@@H+](CCCS)C[C@H](C)C#N 87074734 572360765 /nfs/dbraw/zinc/36/07/65/572360765.db2.gz VOLVLGHQKCTQJL-SECBINFHSA-N 1 1 186.324 1.788 10 30 ADEEMO CC[N@@H+](CCCS)CCOC 87073549 572360792 /nfs/dbraw/zinc/36/07/92/572360792.db2.gz IDBPGOBMVRLXLT-UHFFFAOYSA-N 1 1 177.313 1.275 10 30 ADEEMO CC[N@@H+](CCC#N)C[C@H](C)CS 87073886 572360823 /nfs/dbraw/zinc/36/08/23/572360823.db2.gz XQBMOQLUQMFEOL-VIFPVBQESA-N 1 1 186.324 1.788 10 30 ADEEMO COCC[N@@H+](C)C[C@H](C)CS 87075296 572360843 /nfs/dbraw/zinc/36/08/43/572360843.db2.gz FUCSONWDXLMQKW-QMMMGPOBSA-N 1 1 177.313 1.131 10 30 ADEEMO CN(C)CCC[NH2+]CCC(C)(C)C#N 83637904 572360881 /nfs/dbraw/zinc/36/08/81/572360881.db2.gz VIHOVTUEMZBLBJ-UHFFFAOYSA-N 1 1 197.326 1.468 10 30 ADEEMO CC[N@@H+](CCCS)[C@H](C)COC 87071850 572360954 /nfs/dbraw/zinc/36/09/54/572360954.db2.gz VLRSQXKWHNBKHJ-SECBINFHSA-N 1 1 191.340 1.663 10 30 ADEEMO C=CC[N@H+]1CCC[C@@]12CCOC2 307105811 572360968 /nfs/dbraw/zinc/36/09/68/572360968.db2.gz XUZBVOVUYRDKEW-JTQLQIEISA-N 1 1 167.252 1.427 10 30 ADEEMO Cc1occc1C[N@@H+](C)CCS 87075608 572361039 /nfs/dbraw/zinc/36/10/39/572361039.db2.gz RGIYZANZCWLUHE-UHFFFAOYSA-N 1 1 185.292 1.950 10 30 ADEEMO CC(C)[N@@H+](CCO)C[C@@H](C)CS 87075856 572361053 /nfs/dbraw/zinc/36/10/53/572361053.db2.gz CADSWOZKBPPQBP-SECBINFHSA-N 1 1 191.340 1.255 10 30 ADEEMO CC[N@@H+](CCS)Cc1ccncc1 87072744 572361087 /nfs/dbraw/zinc/36/10/87/572361087.db2.gz MGNOGQRDFBTURO-UHFFFAOYSA-N 1 1 196.319 1.833 10 30 ADEEMO COC[C@H](C)[N@@H+](C)CCCS 87072316 572361144 /nfs/dbraw/zinc/36/11/44/572361144.db2.gz NVHUUTGLUCNELS-QMMMGPOBSA-N 1 1 177.313 1.273 10 30 ADEEMO CC[N@@H+](CCCS)C[C@@H](C)C#N 87074732 572361151 /nfs/dbraw/zinc/36/11/51/572361151.db2.gz VOLVLGHQKCTQJL-VIFPVBQESA-N 1 1 186.324 1.788 10 30 ADEEMO C#CCC[N@H+](C)[C@H]1C[C@@H](OC)C1 307998025 572361904 /nfs/dbraw/zinc/36/19/04/572361904.db2.gz XPJXOIWXZFUSEI-AOOOYVTPSA-N 1 1 167.252 1.119 10 30 ADEEMO CN(C)CC[N@H+](C)CCC(C)(C)C#N 83640547 572362608 /nfs/dbraw/zinc/36/26/08/572362608.db2.gz MOGCCRBWMGIGNL-UHFFFAOYSA-N 1 1 197.326 1.420 10 30 ADEEMO CN(C)CC[N@@H+](C)CCC(C)(C)C#N 83640547 572362612 /nfs/dbraw/zinc/36/26/12/572362612.db2.gz MOGCCRBWMGIGNL-UHFFFAOYSA-N 1 1 197.326 1.420 10 30 ADEEMO COC[C@H](C)[N@@H+](C)CCC(C)(C)C#N 83640538 572363134 /nfs/dbraw/zinc/36/31/34/572363134.db2.gz FOOZYFJSMQQZFB-JTQLQIEISA-N 1 1 198.310 1.893 10 30 ADEEMO CCO[C@@H]1CCC[N@@H+](CCS)C1 87076102 572363153 /nfs/dbraw/zinc/36/31/53/572363153.db2.gz WSZWXKHJJBSUNX-SECBINFHSA-N 1 1 189.324 1.417 10 30 ADEEMO COC[C@@H](C)[N@@H+](C)CCC(C)(C)C#N 83640539 572363160 /nfs/dbraw/zinc/36/31/60/572363160.db2.gz FOOZYFJSMQQZFB-SNVBAGLBSA-N 1 1 198.310 1.893 10 30 ADEEMO CC[N@@H+](C)CCC(C)(C)/C(N)=N/O 83639128 572363586 /nfs/dbraw/zinc/36/35/86/572363586.db2.gz AZLLZTKGFMHDQA-UHFFFAOYSA-N 1 1 187.287 1.101 10 30 ADEEMO C[N@@H+](CCC(C)(C)/C(N)=N/O)C1CC1 83639131 572363463 /nfs/dbraw/zinc/36/34/63/572363463.db2.gz XQOQFKDPZUFVEI-UHFFFAOYSA-N 1 1 199.298 1.243 10 30 ADEEMO C#CC[N@H+]1CCC[C@@H]2COCC[C@H]21 307191944 572363492 /nfs/dbraw/zinc/36/34/92/572363492.db2.gz LDWIZHDTQXLXPX-GHMZBOCLSA-N 1 1 179.263 1.121 10 30 ADEEMO CCO[C@H]1CCC[N@@H+](CCS)C1 87076103 572364146 /nfs/dbraw/zinc/36/41/46/572364146.db2.gz WSZWXKHJJBSUNX-VIFPVBQESA-N 1 1 189.324 1.417 10 30 ADEEMO C=CC[C@@H]([NH3+])c1nnc(C=C)o1 307999981 572364254 /nfs/dbraw/zinc/36/42/54/572364254.db2.gz GOLLMYODBUMFBG-ZCFIWIBFSA-N 1 1 165.196 1.289 10 30 ADEEMO C=CCSCCC[C@](C)([NH3+])C#N 307999138 572364351 /nfs/dbraw/zinc/36/43/51/572364351.db2.gz FPCJPYIUZLZLJY-VIFPVBQESA-N 1 1 184.308 1.927 10 30 ADEEMO C[C@@H](CS)C[N@@H+](C)CC(C)(C)O 87077160 572365141 /nfs/dbraw/zinc/36/51/41/572365141.db2.gz GLFIJOIEQNJDAV-MRVPVSSYSA-N 1 1 191.340 1.255 10 30 ADEEMO C=CCSCCC[C@@](C)([NH3+])C#N 307999137 572365180 /nfs/dbraw/zinc/36/51/80/572365180.db2.gz FPCJPYIUZLZLJY-SECBINFHSA-N 1 1 184.308 1.927 10 30 ADEEMO CC[N@@H+](CCCS)CC(C)(C)O 87077181 572365724 /nfs/dbraw/zinc/36/57/24/572365724.db2.gz RNGIMSKZGBNKMP-UHFFFAOYSA-N 1 1 191.340 1.399 10 30 ADEEMO C[C@H](CS)C[N@@H+](C)CC(C)(C)O 87077159 572365829 /nfs/dbraw/zinc/36/58/29/572365829.db2.gz GLFIJOIEQNJDAV-QMMMGPOBSA-N 1 1 191.340 1.255 10 30 ADEEMO CC[N@@H+](CCS)CC(C)(C)O 87077194 572366010 /nfs/dbraw/zinc/36/60/10/572366010.db2.gz PLQXPNKMZIAQDS-UHFFFAOYSA-N 1 1 177.313 1.009 10 30 ADEEMO C[N@@H+](CCCS)CC1CC(O)C1 87076821 572366367 /nfs/dbraw/zinc/36/63/67/572366367.db2.gz OZPABNGWTFZIOM-UHFFFAOYSA-N 1 1 189.324 1.009 10 30 ADEEMO SCC[N@@H+](CC1CC1)C1CC1 87076455 572366597 /nfs/dbraw/zinc/36/65/97/572366597.db2.gz ZJIORAYLPDCXOW-UHFFFAOYSA-N 1 1 171.309 1.791 10 30 ADEEMO C=C[C@@H](C)[N@H+](C)C[C@H](C)COC 308000591 572366733 /nfs/dbraw/zinc/36/67/33/572366733.db2.gz ZIAFDZGKIAMXDY-VHSXEESVSA-N 1 1 171.284 1.775 10 30 ADEEMO C[N@@H+](CCCCS)CC(C)(C)O 87077131 572366937 /nfs/dbraw/zinc/36/69/37/572366937.db2.gz XKYGWXLDNZFFKC-UHFFFAOYSA-N 1 1 191.340 1.399 10 30 ADEEMO C=C[C@H](C)[N@H+](C)C[C@@H](C)COC 308000593 572366949 /nfs/dbraw/zinc/36/69/49/572366949.db2.gz ZIAFDZGKIAMXDY-ZJUUUORDSA-N 1 1 171.284 1.775 10 30 ADEEMO C[C@H](O)[C@@H](C)[N@H+](CCC#N)C1CC1 87130876 572372684 /nfs/dbraw/zinc/37/26/84/572372684.db2.gz YSTOWZILPDYKNY-BDAKNGLRSA-N 1 1 182.267 1.134 10 30 ADEEMO C[N@@H+](CCCS)CC(C)(C)O 87077133 572366998 /nfs/dbraw/zinc/36/69/98/572366998.db2.gz HSTARGZLFQERKB-UHFFFAOYSA-N 1 1 177.313 1.009 10 30 ADEEMO COC[C@@H]1CC[N@@H+](CCCS)C1 87076384 572367022 /nfs/dbraw/zinc/36/70/22/572367022.db2.gz WOHZDPDICOMXCE-SECBINFHSA-N 1 1 189.324 1.275 10 30 ADEEMO C[N@@H+](C/C=C/CS)CC(C)(C)O 87077174 572367168 /nfs/dbraw/zinc/36/71/68/572367168.db2.gz RLQDWNICRYTWPF-SNAWJCMRSA-N 1 1 189.324 1.175 10 30 ADEEMO C[N@@H+](CCS)CCC(F)(F)F 87076560 572367262 /nfs/dbraw/zinc/36/72/62/572367262.db2.gz VHJMYXIEPSSONP-UHFFFAOYSA-N 1 1 187.230 1.800 10 30 ADEEMO C=C[C@H](C)[N@H+](C)C[C@H](C)COC 308000589 572367582 /nfs/dbraw/zinc/36/75/82/572367582.db2.gz ZIAFDZGKIAMXDY-UWVGGRQHSA-N 1 1 171.284 1.775 10 30 ADEEMO COC[C@H]1CC[N@@H+](CCCS)C1 87076386 572367685 /nfs/dbraw/zinc/36/76/85/572367685.db2.gz WOHZDPDICOMXCE-VIFPVBQESA-N 1 1 189.324 1.275 10 30 ADEEMO C=CCOC(=O)[C@@H](CC)[NH+](C)C 307992563 572368172 /nfs/dbraw/zinc/36/81/72/572368172.db2.gz UNFBYKIRWBPFDO-MRVPVSSYSA-N 1 1 171.240 1.056 10 30 ADEEMO CC#CC[N@H+]1CC[C@@H](OC(F)F)C1 307130632 572368478 /nfs/dbraw/zinc/36/84/78/572368478.db2.gz KPEIBDJROVXKPH-MRVPVSSYSA-N 1 1 189.205 1.323 10 30 ADEEMO C=CCOC(=O)[C@H](CC)[NH+](C)C 307992564 572368554 /nfs/dbraw/zinc/36/85/54/572368554.db2.gz UNFBYKIRWBPFDO-QMMMGPOBSA-N 1 1 171.240 1.056 10 30 ADEEMO CCCC[N@H+]1C[C@H](C)[C@@H](C=O)C1 238222467 572368692 /nfs/dbraw/zinc/36/86/92/572368692.db2.gz BUKYQTMHKCUHPJ-VHSXEESVSA-N 1 1 169.268 1.553 10 30 ADEEMO C=C[C@@H](C)[N@H+](C)C[C@@H](C)COC 308000587 572369216 /nfs/dbraw/zinc/36/92/16/572369216.db2.gz ZIAFDZGKIAMXDY-NXEZZACHSA-N 1 1 171.284 1.775 10 30 ADEEMO C[C@H](C1CC1)[N@@H+](C)CC[C@@H]1CO1 307995070 572371941 /nfs/dbraw/zinc/37/19/41/572371941.db2.gz BCIPQJJXRHUFTJ-PSASIEDQSA-N 1 1 169.268 1.506 10 30 ADEEMO C[C@@H](C1CC1)[N@@H+](C)CC[C@@H]1CO1 307995083 572369963 /nfs/dbraw/zinc/36/99/63/572369963.db2.gz BCIPQJJXRHUFTJ-WCBMZHEXSA-N 1 1 169.268 1.506 10 30 ADEEMO CCC[C@@H](C)[N@@H+](C)CC[C@H]1CO1 307995235 572370467 /nfs/dbraw/zinc/37/04/67/572370467.db2.gz BECDAQJBKOSGLX-ZJUUUORDSA-N 1 1 171.284 1.896 10 30 ADEEMO CCC[C@H](C)[N@@H+](C)CC[C@H]1CO1 307995233 572370748 /nfs/dbraw/zinc/37/07/48/572370748.db2.gz BECDAQJBKOSGLX-UWVGGRQHSA-N 1 1 171.284 1.896 10 30 ADEEMO C[C@@H](C1CC1)[N@@H+](C)CC[C@H]1CO1 307995088 572371057 /nfs/dbraw/zinc/37/10/57/572371057.db2.gz BCIPQJJXRHUFTJ-WPRPVWTQSA-N 1 1 169.268 1.506 10 30 ADEEMO CCC[C@H](C)[N@@H+](C)CC[C@@H]1CO1 307995234 572371302 /nfs/dbraw/zinc/37/13/02/572371302.db2.gz BECDAQJBKOSGLX-VHSXEESVSA-N 1 1 171.284 1.896 10 30 ADEEMO CCC[C@@H](C)[N@@H+](C)CC[C@@H]1CO1 307995232 572371322 /nfs/dbraw/zinc/37/13/22/572371322.db2.gz BECDAQJBKOSGLX-NXEZZACHSA-N 1 1 171.284 1.896 10 30 ADEEMO C[N@@H+](CC[C@@H]1CO1)CC(C)(C)C 307995164 572371575 /nfs/dbraw/zinc/37/15/75/572371575.db2.gz BDNYYPXQQYAGNL-SECBINFHSA-N 1 1 171.284 1.753 10 30 ADEEMO C[C@H](C1CC1)[N@@H+](C)CC[C@H]1CO1 307995076 572372019 /nfs/dbraw/zinc/37/20/19/572372019.db2.gz BCIPQJJXRHUFTJ-SCZZXKLOSA-N 1 1 169.268 1.506 10 30 ADEEMO C=C(Cl)C[N@H+](C)C[C@@H]1CCCO1 307993909 572372041 /nfs/dbraw/zinc/37/20/41/572372041.db2.gz VHAIDTGLKGXIOP-VIFPVBQESA-N 1 1 189.686 1.850 10 30 ADEEMO C=C(Cl)C[N@@H+](C)C[C@@H]1CCCO1 307993909 572372043 /nfs/dbraw/zinc/37/20/43/572372043.db2.gz VHAIDTGLKGXIOP-VIFPVBQESA-N 1 1 189.686 1.850 10 30 ADEEMO C#CC[N@H+](CC)Cc1ccc[nH]1 307995292 572372516 /nfs/dbraw/zinc/37/25/16/572372516.db2.gz VXNOBTPHQRRNBD-UHFFFAOYSA-N 1 1 162.236 1.470 10 30 ADEEMO C[C@@H]([C@@H](C)O)[N@H+](CCC#N)C1CC1 87130872 572372591 /nfs/dbraw/zinc/37/25/91/572372591.db2.gz YSTOWZILPDYKNY-DTWKUNHWSA-N 1 1 182.267 1.134 10 30 ADEEMO C[C@@H]([C@@H](C)O)[N@@H+](CCC#N)C1CC1 87130872 572372597 /nfs/dbraw/zinc/37/25/97/572372597.db2.gz YSTOWZILPDYKNY-DTWKUNHWSA-N 1 1 182.267 1.134 10 30 ADEEMO C[C@H](O)[C@@H](C)[N@@H+](CCC#N)C1CC1 87130876 572372687 /nfs/dbraw/zinc/37/26/87/572372687.db2.gz YSTOWZILPDYKNY-BDAKNGLRSA-N 1 1 182.267 1.134 10 30 ADEEMO C[N@@H+](CC[C@H]1CO1)CC(C)(C)C 307995171 572372941 /nfs/dbraw/zinc/37/29/41/572372941.db2.gz BDNYYPXQQYAGNL-VIFPVBQESA-N 1 1 171.284 1.753 10 30 ADEEMO CC(C)C[N@@H+](CCC#N)[C@H](C)[C@@H](C)O 87130881 572372953 /nfs/dbraw/zinc/37/29/53/572372953.db2.gz KDQUAQJTQLWUSK-GHMZBOCLSA-N 1 1 198.310 1.627 10 30 ADEEMO C[C@@H](O)[C@@H](C)[N@H+](CCC#N)C1CC1 87130874 572374821 /nfs/dbraw/zinc/37/48/21/572374821.db2.gz YSTOWZILPDYKNY-RKDXNWHRSA-N 1 1 182.267 1.134 10 30 ADEEMO C[C@@H](O)[C@@H](C)[N@@H+](CCC#N)C1CC1 87130874 572374825 /nfs/dbraw/zinc/37/48/25/572374825.db2.gz YSTOWZILPDYKNY-RKDXNWHRSA-N 1 1 182.267 1.134 10 30 ADEEMO CC(C)[N@@H+](CCC#N)[C@H](C)[C@@H](C)O 87130871 572375067 /nfs/dbraw/zinc/37/50/67/572375067.db2.gz TZAIBBHUDNWDNC-NXEZZACHSA-N 1 1 184.283 1.380 10 30 ADEEMO CC(C)C[N@@H+](CCC#N)[C@@H](C)[C@@H](C)O 87130878 572375117 /nfs/dbraw/zinc/37/51/17/572375117.db2.gz KDQUAQJTQLWUSK-WDEREUQCSA-N 1 1 198.310 1.627 10 30 ADEEMO C[C@H](O)[C@H](C)[N@H+](CCC#N)C1CC1 87130875 572375216 /nfs/dbraw/zinc/37/52/16/572375216.db2.gz YSTOWZILPDYKNY-IUCAKERBSA-N 1 1 182.267 1.134 10 30 ADEEMO C[C@H](O)[C@H](C)[N@@H+](CCC#N)C1CC1 87130875 572375220 /nfs/dbraw/zinc/37/52/20/572375220.db2.gz YSTOWZILPDYKNY-IUCAKERBSA-N 1 1 182.267 1.134 10 30 ADEEMO CC(C)[N@@H+](CCC#N)[C@@H](C)[C@@H](C)O 87130870 572375330 /nfs/dbraw/zinc/37/53/30/572375330.db2.gz TZAIBBHUDNWDNC-VHSXEESVSA-N 1 1 184.283 1.380 10 30 ADEEMO CC#CCC[N@H+]1CCC[C@@H]1CF 307135370 572376011 /nfs/dbraw/zinc/37/60/11/572376011.db2.gz QRRMVBQQCWZQQF-SNVBAGLBSA-N 1 1 169.243 1.834 10 30 ADEEMO C=C(C)CC[N@H+](CC)C[C@@H](C)O 308004168 572377018 /nfs/dbraw/zinc/37/70/18/572377018.db2.gz DLHZAFKLVCVVPQ-SNVBAGLBSA-N 1 1 171.284 1.655 10 30 ADEEMO C=C(C)C[NH2+][C@H](C)c1ccon1 308004543 572377236 /nfs/dbraw/zinc/37/72/36/572377236.db2.gz CQPMZGIXWQONEZ-MRVPVSSYSA-N 1 1 166.224 1.901 10 30 ADEEMO CCCC[N@H+]1C[C@@H](C)[C@@H](C=O)C1 238222087 572377706 /nfs/dbraw/zinc/37/77/06/572377706.db2.gz BUKYQTMHKCUHPJ-NXEZZACHSA-N 1 1 169.268 1.553 10 30 ADEEMO C=C(C)C[NH2+][C@@H](C)c1ccon1 308004544 572377751 /nfs/dbraw/zinc/37/77/51/572377751.db2.gz CQPMZGIXWQONEZ-QMMMGPOBSA-N 1 1 166.224 1.901 10 30 ADEEMO C=CCC[N@@H+]1CC[C@@H]2C[C@]2(O)C1 307125291 572378350 /nfs/dbraw/zinc/37/83/50/572378350.db2.gz ZSPFFNDDLTYCHJ-ZJUUUORDSA-N 1 1 167.252 1.019 10 30 ADEEMO C=CCCCCC[NH2+][C@@H](C)C(=O)OC 234536383 572378481 /nfs/dbraw/zinc/37/84/81/572378481.db2.gz KPDVTBMSUOCLOG-JTQLQIEISA-N 1 1 199.294 1.884 10 30 ADEEMO C=C(C)CC[N@H+](CC)C[C@H](C)O 308004166 572378996 /nfs/dbraw/zinc/37/89/96/572378996.db2.gz DLHZAFKLVCVVPQ-JTQLQIEISA-N 1 1 171.284 1.655 10 30 ADEEMO C#C[C@@H](C)[NH2+]Cc1cnc(C)o1 307155502 572379052 /nfs/dbraw/zinc/37/90/52/572379052.db2.gz VRNINAKIVSFNEK-SSDOTTSWSA-N 1 1 164.208 1.094 10 30 ADEEMO C#CC[NH2+][C@@H](CN)CCCCC 83758961 572379290 /nfs/dbraw/zinc/37/92/90/572379290.db2.gz WPCPYCMVDDTUQC-SNVBAGLBSA-N 1 1 168.284 1.117 10 30 ADEEMO CC(C)([NH3+])C(=NO)c1ccccc1 308005816 572379452 /nfs/dbraw/zinc/37/94/52/572379452.db2.gz BCZGDCLTYCLXNB-UHFFFAOYSA-N 1 1 178.235 1.602 10 30 ADEEMO C#CC[NH2+][C@](CC)(CN)CCCC 83758930 572379942 /nfs/dbraw/zinc/37/99/42/572379942.db2.gz ZRBYOFAUSLNYIJ-NSHDSACASA-N 1 1 182.311 1.507 10 30 ADEEMO CCC[N@@H+](CC(C)C)C[C@@H]1CO1 308004987 572380242 /nfs/dbraw/zinc/38/02/42/572380242.db2.gz CVJYNTJWPIPHLK-SNVBAGLBSA-N 1 1 171.284 1.753 10 30 ADEEMO C#CC[NH2+][C@H](CN)CCCCCC 83758904 572380456 /nfs/dbraw/zinc/38/04/56/572380456.db2.gz PALKKKCXURCCCS-NSHDSACASA-N 1 1 182.311 1.507 10 30 ADEEMO C#CC[NH2+][C@@H](CN)CCCCCC 83758905 572381133 /nfs/dbraw/zinc/38/11/33/572381133.db2.gz PALKKKCXURCCCS-LLVKDONJSA-N 1 1 182.311 1.507 10 30 ADEEMO CCC[N@@H+](CC(C)C)C[C@H]1CO1 308004983 572381168 /nfs/dbraw/zinc/38/11/68/572381168.db2.gz CVJYNTJWPIPHLK-JTQLQIEISA-N 1 1 171.284 1.753 10 30 ADEEMO C#CC[NH2+][C@H](CN)CCCCC 83758960 572381350 /nfs/dbraw/zinc/38/13/50/572381350.db2.gz WPCPYCMVDDTUQC-JTQLQIEISA-N 1 1 168.284 1.117 10 30 ADEEMO C#CCC[N@H+]1CC(C)(C)C[C@H]1CO 307154374 572381967 /nfs/dbraw/zinc/38/19/67/572381967.db2.gz DAPSNCOBOUTZNP-JTQLQIEISA-N 1 1 181.279 1.103 10 30 ADEEMO C#CC[N@@H+]1CCC[C@H]1c1cnn(C)c1 307180985 572382480 /nfs/dbraw/zinc/38/24/80/572382480.db2.gz QBRYPQVIAQMCAQ-NSHDSACASA-N 1 1 189.262 1.190 10 30 ADEEMO C=CC[N@@H+]1CC[C@H]2CCN(C)C[C@@H]21 307139859 572382589 /nfs/dbraw/zinc/38/25/89/572382589.db2.gz ATJGGVZOUXEOCD-MNOVXSKESA-N 1 1 180.295 1.198 10 30 ADEEMO C=CCC[N@H+](C)CC1(C[NH3+])CC1 308001176 572382809 /nfs/dbraw/zinc/38/28/09/572382809.db2.gz HLIKBTQNKRLCHX-UHFFFAOYSA-N 1 1 168.284 1.233 10 30 ADEEMO C=CCC[N@@H+](C)CC1(CN)CC1 308001176 572382813 /nfs/dbraw/zinc/38/28/13/572382813.db2.gz HLIKBTQNKRLCHX-UHFFFAOYSA-N 1 1 168.284 1.233 10 30 ADEEMO C=CCC[N@H+](C)CC1(CN)CC1 308001176 572382818 /nfs/dbraw/zinc/38/28/18/572382818.db2.gz HLIKBTQNKRLCHX-UHFFFAOYSA-N 1 1 168.284 1.233 10 30 ADEEMO C#CC[N@H+](CCO)[C@H](C)CCC 308001991 572383096 /nfs/dbraw/zinc/38/30/96/572383096.db2.gz BIMRDBRLRWMVKJ-SNVBAGLBSA-N 1 1 169.268 1.103 10 30 ADEEMO C#CC(C)(C)[NH2+]Cc1ncc(C)s1 307145650 572383558 /nfs/dbraw/zinc/38/35/58/572383558.db2.gz NADOFLYJFYTKQL-UHFFFAOYSA-N 1 1 194.303 1.953 10 30 ADEEMO C=CC[N@@H+]1CC[C@@H]2CCN(C)C[C@@H]21 307139862 572383602 /nfs/dbraw/zinc/38/36/02/572383602.db2.gz ATJGGVZOUXEOCD-QWRGUYRKSA-N 1 1 180.295 1.198 10 30 ADEEMO C#CC[NH2+][C@]1(CN)CCC[C@@H](CC)C1 83759091 572383695 /nfs/dbraw/zinc/38/36/95/572383695.db2.gz UWGWOGDFXCKLOD-VXGBXAGGSA-N 1 1 194.322 1.507 10 30 ADEEMO CC#CC[C@@H]([NH2+]CCC)c1nnc[nH]1 83746925 572383967 /nfs/dbraw/zinc/38/39/67/572383967.db2.gz IQOOIIVKHBSCFM-SECBINFHSA-N 1 1 192.266 1.259 10 30 ADEEMO C=C[C@H](C)[N@H+]1CC[C@@H](OC)C1 307199033 572384053 /nfs/dbraw/zinc/38/40/53/572384053.db2.gz ZCFMDLVDFSUKSG-DTWKUNHWSA-N 1 1 155.241 1.282 10 30 ADEEMO C=CC[NH2+][C@H](CN)c1cccs1 83759104 572384124 /nfs/dbraw/zinc/38/41/24/572384124.db2.gz PBLYGBYMMHSTJB-MRVPVSSYSA-N 1 1 182.292 1.524 10 30 ADEEMO C#CC[N@H+](CCO)[C@@H](C)CCC 308001979 572384267 /nfs/dbraw/zinc/38/42/67/572384267.db2.gz BIMRDBRLRWMVKJ-JTQLQIEISA-N 1 1 169.268 1.103 10 30 ADEEMO C#CC[NH2+][C@@](C)(CN)CCC(C)C 83759079 572384314 /nfs/dbraw/zinc/38/43/14/572384314.db2.gz KXIKKRYPGDNSTC-LLVKDONJSA-N 1 1 182.311 1.363 10 30 ADEEMO C#CC[NH2+][C@@]1(CN)CCC[C@@H](CC)C1 83759093 572384356 /nfs/dbraw/zinc/38/43/56/572384356.db2.gz UWGWOGDFXCKLOD-NEPJUHHUSA-N 1 1 194.322 1.507 10 30 ADEEMO C=CCCC[C@H]([NH3+])c1nc[nH]n1 83746347 572384656 /nfs/dbraw/zinc/38/46/56/572384656.db2.gz LZQXEYJYUITCBO-ZETCQYMHSA-N 1 1 166.228 1.161 10 30 ADEEMO C#CC[N@@H+](C[C@@H](F)CC)C1CC1 308001417 572384672 /nfs/dbraw/zinc/38/46/72/572384672.db2.gz ZQHYCXZUXWESHL-VIFPVBQESA-N 1 1 169.243 1.832 10 30 ADEEMO C#CC[N@H+](C[C@@H](F)CC)C1CC1 308001417 572384675 /nfs/dbraw/zinc/38/46/75/572384675.db2.gz ZQHYCXZUXWESHL-VIFPVBQESA-N 1 1 169.243 1.832 10 30 ADEEMO C#CC[N@@H+]1CC[C@H](OC(C)(C)C)C1 307142694 572384715 /nfs/dbraw/zinc/38/47/15/572384715.db2.gz KBQAPCBQMAJQFE-JTQLQIEISA-N 1 1 181.279 1.509 10 30 ADEEMO C#CC[NH2+]C1(CN)CCC(CC)CC1 83759024 572386562 /nfs/dbraw/zinc/38/65/62/572386562.db2.gz JOCXZUZWHOBQQZ-UHFFFAOYSA-N 1 1 194.322 1.507 10 30 ADEEMO C#CC[NH2+][C@]1(CN)CCC[C@H](CC)C1 83759092 572384784 /nfs/dbraw/zinc/38/47/84/572384784.db2.gz UWGWOGDFXCKLOD-NWDGAFQWSA-N 1 1 194.322 1.507 10 30 ADEEMO CC#CC[C@H]([NH2+]CCC)c1nnc[nH]1 83746924 572385040 /nfs/dbraw/zinc/38/50/40/572385040.db2.gz IQOOIIVKHBSCFM-VIFPVBQESA-N 1 1 192.266 1.259 10 30 ADEEMO C#CC[N@H+](CC)[C@H](C)C=C 307146704 572385373 /nfs/dbraw/zinc/38/53/73/572385373.db2.gz NOTXQKQWMWYDSA-SECBINFHSA-N 1 1 137.226 1.516 10 30 ADEEMO C#CC[NH2+][C@@]1(CN)CCC[C@H](CC)C1 83759094 572385406 /nfs/dbraw/zinc/38/54/06/572385406.db2.gz UWGWOGDFXCKLOD-RYUDHWBXSA-N 1 1 194.322 1.507 10 30 ADEEMO CC#CCC(=O)Cn1cc[nH+]c1C 307190620 572385481 /nfs/dbraw/zinc/38/54/81/572385481.db2.gz YAPCNQYGHMOTCN-UHFFFAOYSA-N 1 1 176.219 1.174 10 30 ADEEMO C#CC[N@@H+](C[C@H](F)CC)C1CC1 308001416 572385512 /nfs/dbraw/zinc/38/55/12/572385512.db2.gz ZQHYCXZUXWESHL-SECBINFHSA-N 1 1 169.243 1.832 10 30 ADEEMO C#CC[N@H+](C[C@H](F)CC)C1CC1 308001416 572385516 /nfs/dbraw/zinc/38/55/16/572385516.db2.gz ZQHYCXZUXWESHL-SECBINFHSA-N 1 1 169.243 1.832 10 30 ADEEMO C=CC[NH+](CC=C)[C@@H](C=O)C(C)C 238225929 572385561 /nfs/dbraw/zinc/38/55/61/572385561.db2.gz AJDQDVMAUIYWOW-NSHDSACASA-N 1 1 181.279 1.884 10 30 ADEEMO C#CC[NH2+][C@](C)(CN)CCC(C)C 83759078 572385574 /nfs/dbraw/zinc/38/55/74/572385574.db2.gz KXIKKRYPGDNSTC-NSHDSACASA-N 1 1 182.311 1.363 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)C[C@@H]1CCCO1 307103724 572386444 /nfs/dbraw/zinc/38/64/44/572386444.db2.gz BQIDFLKYUBTRPT-UWVGGRQHSA-N 1 1 167.252 1.119 10 30 ADEEMO C#CC[NH2+][C@](C)(CN)CCCCCC 83759034 572386086 /nfs/dbraw/zinc/38/60/86/572386086.db2.gz MWYKWQSEJDAEIA-LBPRGKRZSA-N 1 1 196.338 1.897 10 30 ADEEMO C#CCC[N@H+]1CC(C)(C)C[C@@H]1CO 307154375 572386242 /nfs/dbraw/zinc/38/62/42/572386242.db2.gz DAPSNCOBOUTZNP-SNVBAGLBSA-N 1 1 181.279 1.103 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)C[C@@H]1CCCO1 307103726 572386281 /nfs/dbraw/zinc/38/62/81/572386281.db2.gz BQIDFLKYUBTRPT-ZJUUUORDSA-N 1 1 167.252 1.119 10 30 ADEEMO COc1c(C)c[nH+]c(CCC=O)c1C 60710366 572386348 /nfs/dbraw/zinc/38/63/48/572386348.db2.gz SIZBTTMMZCGEDW-UHFFFAOYSA-N 1 1 193.246 1.839 10 30 ADEEMO C=CC[NH2+][C@H](CN)c1ccccc1C 83759111 572386383 /nfs/dbraw/zinc/38/63/83/572386383.db2.gz CGIMRBCXAFTZQM-GFCCVEGCSA-N 1 1 190.290 1.770 10 30 ADEEMO C=CC[NH2+][C@H](CN)Cc1ccccc1 83759117 572386450 /nfs/dbraw/zinc/38/64/50/572386450.db2.gz OLGDMKOJFDUCFM-LBPRGKRZSA-N 1 1 190.290 1.332 10 30 ADEEMO C=CC[NH2+][C@@H](CN)c1cccs1 83759103 572386547 /nfs/dbraw/zinc/38/65/47/572386547.db2.gz PBLYGBYMMHSTJB-QMMMGPOBSA-N 1 1 182.292 1.524 10 30 ADEEMO C#CC[NH2+][C@@](C)(CN)CCCCCC 83759035 572386688 /nfs/dbraw/zinc/38/66/88/572386688.db2.gz MWYKWQSEJDAEIA-GFCCVEGCSA-N 1 1 196.338 1.897 10 30 ADEEMO C=CC[NH2+][C@@H](CN)Cc1ccccc1 83759118 572386946 /nfs/dbraw/zinc/38/69/46/572386946.db2.gz OLGDMKOJFDUCFM-GFCCVEGCSA-N 1 1 190.290 1.332 10 30 ADEEMO C=CCCC[C@@H]([NH3+])c1nc[nH]n1 83746348 572387419 /nfs/dbraw/zinc/38/74/19/572387419.db2.gz LZQXEYJYUITCBO-SSDOTTSWSA-N 1 1 166.228 1.161 10 30 ADEEMO C#C[C@](C)(CC)[N@H+]1CCNC[C@@H]1CC 307153313 572387955 /nfs/dbraw/zinc/38/79/55/572387955.db2.gz AMHXYMHVRNGPDX-NWDGAFQWSA-N 1 1 194.322 1.472 10 30 ADEEMO C#C[C@](C)(CC)[N@@H+]1CCNC[C@@H]1CC 307153313 572387957 /nfs/dbraw/zinc/38/79/57/572387957.db2.gz AMHXYMHVRNGPDX-NWDGAFQWSA-N 1 1 194.322 1.472 10 30 ADEEMO C=CCN[C@H](C[NH3+])CC(C)C 83759579 572388685 /nfs/dbraw/zinc/38/86/85/572388685.db2.gz XTTPRDVGNQWQLK-VIFPVBQESA-N 1 1 156.273 1.135 10 30 ADEEMO C=CC[NH2+][C@@H](CN)c1cccc(C)c1 83759429 572388665 /nfs/dbraw/zinc/38/86/65/572388665.db2.gz ITYFJIBLTHVWBK-LBPRGKRZSA-N 1 1 190.290 1.770 10 30 ADEEMO C=CC[NH2+]C(CC)(CC)CN 83759449 572388862 /nfs/dbraw/zinc/38/88/62/572388862.db2.gz BQMUXLQCCDAYHH-UHFFFAOYSA-N 1 1 156.273 1.280 10 30 ADEEMO C=CC[NH2+][C@@]1(CN)CC[C@@H](C)C1 83759552 572388888 /nfs/dbraw/zinc/38/88/88/572388888.db2.gz BAJPXOHFFBVTTE-ZJUUUORDSA-N 1 1 168.284 1.280 10 30 ADEEMO C=CC[NH2+][C@]1(CN)CC[C@H](C)C1 83759548 572389216 /nfs/dbraw/zinc/38/92/16/572389216.db2.gz BAJPXOHFFBVTTE-VHSXEESVSA-N 1 1 168.284 1.280 10 30 ADEEMO C=CC[NH2+]C1(CN)C[C@@H](C)C[C@H](C)C1 83759217 572389238 /nfs/dbraw/zinc/38/92/38/572389238.db2.gz ASOZUUWYKSIDHP-QWRGUYRKSA-N 1 1 196.338 1.916 10 30 ADEEMO C=CCN[C@@H](C[NH3+])CC(C)(C)C 83759309 572389494 /nfs/dbraw/zinc/38/94/94/572389494.db2.gz IVDVOACYPCQEOJ-SECBINFHSA-N 1 1 170.300 1.526 10 30 ADEEMO C#CC[N@@H+]1CCC[C@@H]1c1cnn(C)c1 307180984 572389595 /nfs/dbraw/zinc/38/95/95/572389595.db2.gz QBRYPQVIAQMCAQ-LLVKDONJSA-N 1 1 189.262 1.190 10 30 ADEEMO C=CC[NH2+][C@@]1(CN)CC[C@H](CC)C1 83759214 572389738 /nfs/dbraw/zinc/38/97/38/572389738.db2.gz XIOGAIIMBZZCAS-QWRGUYRKSA-N 1 1 182.311 1.670 10 30 ADEEMO C#CC[N@@H+](C)Cc1ccnc(Cl)c1 307171397 572389748 /nfs/dbraw/zinc/38/97/48/572389748.db2.gz HBDAUCKYNWGSDW-UHFFFAOYSA-N 1 1 194.665 1.800 10 30 ADEEMO C#CC[N@H+](C)Cc1ccnc(Cl)c1 307171397 572389751 /nfs/dbraw/zinc/38/97/51/572389751.db2.gz HBDAUCKYNWGSDW-UHFFFAOYSA-N 1 1 194.665 1.800 10 30 ADEEMO C=CC[NH2+][C@@H](CN)c1ccc(C)s1 83759175 572389785 /nfs/dbraw/zinc/38/97/85/572389785.db2.gz PHVOZDWYWUNGLA-VIFPVBQESA-N 1 1 196.319 1.832 10 30 ADEEMO C#CCCNc1ccc[nH+]c1N(C)C 307111247 572389796 /nfs/dbraw/zinc/38/97/96/572389796.db2.gz NFTZPVVZBUDEEP-UHFFFAOYSA-N 1 1 189.262 1.583 10 30 ADEEMO C=C(C)[C@@H]1CC[N@H+]2CCC[C@H]2[C@H]1O 307185741 572389818 /nfs/dbraw/zinc/38/98/18/572389818.db2.gz SMYLAFFSRQDQMC-DCAQKATOSA-N 1 1 181.279 1.408 10 30 ADEEMO C=CC[NH2+][C@@]1(CN)CC[C@@H](CC)C1 83759212 572389859 /nfs/dbraw/zinc/38/98/59/572389859.db2.gz XIOGAIIMBZZCAS-MNOVXSKESA-N 1 1 182.311 1.670 10 30 ADEEMO C=CC[NH2+]C1(CN)CCCCCC1 83759173 572390011 /nfs/dbraw/zinc/39/00/11/572390011.db2.gz UKIFTFBVPAVDLL-UHFFFAOYSA-N 1 1 182.311 1.814 10 30 ADEEMO C#CC[N@@H+](C)Cc1cnccc1C 307174906 572390120 /nfs/dbraw/zinc/39/01/20/572390120.db2.gz FKCZNUJMORVFRK-UHFFFAOYSA-N 1 1 174.247 1.455 10 30 ADEEMO C#CC[N@H+](C)Cc1cnccc1C 307174906 572390122 /nfs/dbraw/zinc/39/01/22/572390122.db2.gz FKCZNUJMORVFRK-UHFFFAOYSA-N 1 1 174.247 1.455 10 30 ADEEMO C=CC[NH2+]C1(CN)C[C@H](C)C[C@@H](C)C1 83759219 572390269 /nfs/dbraw/zinc/39/02/69/572390269.db2.gz ASOZUUWYKSIDHP-GHMZBOCLSA-N 1 1 196.338 1.916 10 30 ADEEMO C=CC[NH2+][C@@](C)(CN)CCC 83759360 572390359 /nfs/dbraw/zinc/39/03/59/572390359.db2.gz CNSSMDAMYUZXFF-SECBINFHSA-N 1 1 156.273 1.280 10 30 ADEEMO C=CCN[C@H](C[NH3+])CCCCC 83759592 572390391 /nfs/dbraw/zinc/39/03/91/572390391.db2.gz UZQABJYYVYDJOM-JTQLQIEISA-N 1 1 170.300 1.670 10 30 ADEEMO C=CCN[C@H](C[NH3+])CC(C)(C)C 83759304 572390643 /nfs/dbraw/zinc/39/06/43/572390643.db2.gz IVDVOACYPCQEOJ-VIFPVBQESA-N 1 1 170.300 1.526 10 30 ADEEMO C=CC[NH2+][C@]1(CN)CC[C@H](C)[C@@H](C)C1 83759409 572390680 /nfs/dbraw/zinc/39/06/80/572390680.db2.gz DQVPJKIDSAVDAM-SDDRHHMPSA-N 1 1 196.338 1.916 10 30 ADEEMO C=CC[NH2+][C@@H](CN)c1ccccc1 83759267 572390694 /nfs/dbraw/zinc/39/06/94/572390694.db2.gz NYCXGYOXYZKHQM-NSHDSACASA-N 1 1 176.263 1.462 10 30 ADEEMO C=CCC[N@H+](C)C[C@H](C)C[NH2+]C 308007313 572390822 /nfs/dbraw/zinc/39/08/22/572390822.db2.gz MZVXWHPJIFOOOC-SNVBAGLBSA-N 1 1 170.300 1.350 10 30 ADEEMO C=CC[NH2+][C@H](CN)c1cccc(C)c1 83759426 572391183 /nfs/dbraw/zinc/39/11/83/572391183.db2.gz ITYFJIBLTHVWBK-GFCCVEGCSA-N 1 1 190.290 1.770 10 30 ADEEMO C=CC[NH2+][C@H](CN)c1ccc(C)s1 83759174 572391235 /nfs/dbraw/zinc/39/12/35/572391235.db2.gz PHVOZDWYWUNGLA-SECBINFHSA-N 1 1 196.319 1.832 10 30 ADEEMO C=C[C@H](C)C[N@H+](C)C[C@@H](C)OC 308007411 572391454 /nfs/dbraw/zinc/39/14/54/572391454.db2.gz IGRLOXVTSTWNEO-VHSXEESVSA-N 1 1 171.284 1.775 10 30 ADEEMO C=CC[NH2+][C@@](C)(CN)CC(C)C 83759352 572391560 /nfs/dbraw/zinc/39/15/60/572391560.db2.gz LJBWARNRYCEHIJ-SNVBAGLBSA-N 1 1 170.300 1.526 10 30 ADEEMO C=CC[NH2+][C@@]1(CN)CC[C@H](C)C1 83759553 572391895 /nfs/dbraw/zinc/39/18/95/572391895.db2.gz BAJPXOHFFBVTTE-UWVGGRQHSA-N 1 1 168.284 1.280 10 30 ADEEMO C=CCN[C@@H](C[NH3+])CCCCC 83759594 572392065 /nfs/dbraw/zinc/39/20/65/572392065.db2.gz UZQABJYYVYDJOM-SNVBAGLBSA-N 1 1 170.300 1.670 10 30 ADEEMO C=C[C@@H](C)C[N@H+](C)C[C@@H](C)OC 308007409 572392183 /nfs/dbraw/zinc/39/21/83/572392183.db2.gz IGRLOXVTSTWNEO-NXEZZACHSA-N 1 1 171.284 1.775 10 30 ADEEMO C=CC[N@@H+](CC)CCC1OCCO1 307203719 572392302 /nfs/dbraw/zinc/39/23/02/572392302.db2.gz HHIDFWFOBXFKQP-UHFFFAOYSA-N 1 1 185.267 1.257 10 30 ADEEMO C=CCN[C@@H](C[NH3+])CC(C)C 83759580 572392379 /nfs/dbraw/zinc/39/23/79/572392379.db2.gz XTTPRDVGNQWQLK-SECBINFHSA-N 1 1 156.273 1.135 10 30 ADEEMO C=CC[NH2+][C@]1(CN)CC[C@@H](CC)C1 83759206 572392500 /nfs/dbraw/zinc/39/25/00/572392500.db2.gz XIOGAIIMBZZCAS-GHMZBOCLSA-N 1 1 182.311 1.670 10 30 ADEEMO C=CC[NH2+][C@]1(CN)CC[C@@H](C)C1 83759544 572392571 /nfs/dbraw/zinc/39/25/71/572392571.db2.gz BAJPXOHFFBVTTE-NXEZZACHSA-N 1 1 168.284 1.280 10 30 ADEEMO C=CC[NH2+][C@H](CN)c1ccccc1 83759270 572392778 /nfs/dbraw/zinc/39/27/78/572392778.db2.gz NYCXGYOXYZKHQM-LLVKDONJSA-N 1 1 176.263 1.462 10 30 ADEEMO C=C[C@@H](C)C[N@H+](C)C[C@H](C)OC 308007412 572393152 /nfs/dbraw/zinc/39/31/52/572393152.db2.gz IGRLOXVTSTWNEO-ZJUUUORDSA-N 1 1 171.284 1.775 10 30 ADEEMO C=C(CC)C[N@H+]1CCC[C@@H]([NH3+])[C@H]1C 307286660 572394520 /nfs/dbraw/zinc/39/45/20/572394520.db2.gz RTDQKWBOCSGFKT-GHMZBOCLSA-N 1 1 182.311 1.764 10 30 ADEEMO C#CC[NH2+][C@](CC)(CN)C[C@@H](C)CC 83758714 572393450 /nfs/dbraw/zinc/39/34/50/572393450.db2.gz VZXYSJAWMSNILR-RYUDHWBXSA-N 1 1 196.338 1.753 10 30 ADEEMO C=CC[NH2+][C@@](C)(CN)CCC(C)C 83759867 572393595 /nfs/dbraw/zinc/39/35/95/572393595.db2.gz SGVWOWSQLVBAIA-LLVKDONJSA-N 1 1 184.327 1.916 10 30 ADEEMO C#CC[NH2+][C@@H](CN)C1CCCCC1 83758809 572393611 /nfs/dbraw/zinc/39/36/11/572393611.db2.gz NQYLDYQAHCZTKH-NSHDSACASA-N 1 1 180.295 1.117 10 30 ADEEMO C#CC[NH2+][C@]1(CN)CC[C@@H](CC)C1 83758786 572393755 /nfs/dbraw/zinc/39/37/55/572393755.db2.gz JQRLVJKFFZWJPG-GHMZBOCLSA-N 1 1 180.295 1.117 10 30 ADEEMO C=CC[NH2+][C@]1(CN)CCO[C@H](CC)C1 83759637 572393845 /nfs/dbraw/zinc/39/38/45/572393845.db2.gz QASAZJNQQLJIMN-GHMZBOCLSA-N 1 1 198.310 1.049 10 30 ADEEMO C=CCN[C@]1(C[NH3+])CCO[C@H](CC)C1 83759637 572393850 /nfs/dbraw/zinc/39/38/50/572393850.db2.gz QASAZJNQQLJIMN-GHMZBOCLSA-N 1 1 198.310 1.049 10 30 ADEEMO C=CCC[N@H+](C)C[C@@H](C)C[NH2+]C 308007312 572394118 /nfs/dbraw/zinc/39/41/18/572394118.db2.gz MZVXWHPJIFOOOC-JTQLQIEISA-N 1 1 170.300 1.350 10 30 ADEEMO C#CC[NH2+][C@@](CC)(CN)C[C@H](C)CC 83758715 572394247 /nfs/dbraw/zinc/39/42/47/572394247.db2.gz VZXYSJAWMSNILR-VXGBXAGGSA-N 1 1 196.338 1.753 10 30 ADEEMO C=CCN[C@@H](C[NH3+])CCCC 83759800 572394361 /nfs/dbraw/zinc/39/43/61/572394361.db2.gz OCVAMCHKXUEGLX-SECBINFHSA-N 1 1 156.273 1.280 10 30 ADEEMO C=C[C@H](C)C[N@H+](C)C[C@H](C)OC 308007410 572394433 /nfs/dbraw/zinc/39/44/33/572394433.db2.gz IGRLOXVTSTWNEO-UWVGGRQHSA-N 1 1 171.284 1.775 10 30 ADEEMO C=CC[NH2+][C@@]1(CN)CCC[C@H](C)C1 83759740 572394832 /nfs/dbraw/zinc/39/48/32/572394832.db2.gz GURXOBQIHINZJA-QWRGUYRKSA-N 1 1 182.311 1.670 10 30 ADEEMO C#CC[NH2+][C@@]1(CN)CC[C@@H](CC)C1 83758788 572394968 /nfs/dbraw/zinc/39/49/68/572394968.db2.gz JQRLVJKFFZWJPG-MNOVXSKESA-N 1 1 180.295 1.117 10 30 ADEEMO C=CC[NH2+][C@]1(CN)CCC[C@@H](C)C1 83759732 572395125 /nfs/dbraw/zinc/39/51/25/572395125.db2.gz GURXOBQIHINZJA-GHMZBOCLSA-N 1 1 182.311 1.670 10 30 ADEEMO C=CC[NH2+][C@]1(CN)CCC[C@H](C)C1 83759733 572395180 /nfs/dbraw/zinc/39/51/80/572395180.db2.gz GURXOBQIHINZJA-WDEREUQCSA-N 1 1 182.311 1.670 10 30 ADEEMO C#CC[NH2+][C@H](CN)C1CCCCC1 83758810 572395480 /nfs/dbraw/zinc/39/54/80/572395480.db2.gz NQYLDYQAHCZTKH-LLVKDONJSA-N 1 1 180.295 1.117 10 30 ADEEMO C#CC[NH2+][C@@]1(CN)CC[C@H](CC)C1 83758789 572395553 /nfs/dbraw/zinc/39/55/53/572395553.db2.gz JQRLVJKFFZWJPG-QWRGUYRKSA-N 1 1 180.295 1.117 10 30 ADEEMO C=CC[NH2+][C@@]1(CN)CCO[C@H](CC)C1 83759633 572395566 /nfs/dbraw/zinc/39/55/66/572395566.db2.gz QASAZJNQQLJIMN-MNOVXSKESA-N 1 1 198.310 1.049 10 30 ADEEMO C=CCN[C@@]1(C[NH3+])CCO[C@H](CC)C1 83759633 572395568 /nfs/dbraw/zinc/39/55/68/572395568.db2.gz QASAZJNQQLJIMN-MNOVXSKESA-N 1 1 198.310 1.049 10 30 ADEEMO C#CC[N@H+]1CCC[C@H]2COCC[C@H]21 307191947 572395895 /nfs/dbraw/zinc/39/58/95/572395895.db2.gz LDWIZHDTQXLXPX-WDEREUQCSA-N 1 1 179.263 1.121 10 30 ADEEMO C=CCN[C@H](C[NH3+])CCCC 83759798 572396659 /nfs/dbraw/zinc/39/66/59/572396659.db2.gz OCVAMCHKXUEGLX-VIFPVBQESA-N 1 1 156.273 1.280 10 30 ADEEMO C=C(C)[C@@H]1CC[N@H+]2CCC[C@H]2[C@@H]1O 307185742 572396763 /nfs/dbraw/zinc/39/67/63/572396763.db2.gz SMYLAFFSRQDQMC-GARJFASQSA-N 1 1 181.279 1.408 10 30 ADEEMO C=CCC[N@H+](C)C[C@@H]([NH3+])C(C)C 308008755 572396874 /nfs/dbraw/zinc/39/68/74/572396874.db2.gz NZKNAJLHVMFKTP-SNVBAGLBSA-N 1 1 170.300 1.478 10 30 ADEEMO C=CCCN(C)C[C@@H]([NH3+])C(C)C 308008755 572396885 /nfs/dbraw/zinc/39/68/85/572396885.db2.gz NZKNAJLHVMFKTP-SNVBAGLBSA-N 1 1 170.300 1.478 10 30 ADEEMO C=CC[NH2+][C@](C)(CN)CCC(C)C 83759864 572396916 /nfs/dbraw/zinc/39/69/16/572396916.db2.gz SGVWOWSQLVBAIA-NSHDSACASA-N 1 1 184.327 1.916 10 30 ADEEMO C#CC[NH2+][C@](CC)(CN)C[C@H](C)CC 83758713 572397606 /nfs/dbraw/zinc/39/76/06/572397606.db2.gz VZXYSJAWMSNILR-NEPJUHHUSA-N 1 1 196.338 1.753 10 30 ADEEMO C=CC[NH2+][C@@]1(CN)CCO[C@@H](CC)C1 83759634 572397964 /nfs/dbraw/zinc/39/79/64/572397964.db2.gz QASAZJNQQLJIMN-QWRGUYRKSA-N 1 1 198.310 1.049 10 30 ADEEMO C=CCN[C@@]1(C[NH3+])CCO[C@@H](CC)C1 83759634 572397968 /nfs/dbraw/zinc/39/79/68/572397968.db2.gz QASAZJNQQLJIMN-QWRGUYRKSA-N 1 1 198.310 1.049 10 30 ADEEMO C#CC[N@@H+]1C[C@H]2C3CCC(CC3)[C@H]2C1 307154236 572398069 /nfs/dbraw/zinc/39/80/69/572398069.db2.gz KPQZTGNYZIMDOA-BPNZPQAUSA-N 1 1 189.302 1.988 10 30 ADEEMO C#CC[NH2+]C(CN)(CCC)CCC 83758815 572398097 /nfs/dbraw/zinc/39/80/97/572398097.db2.gz OOTNYSDMQBVBDP-UHFFFAOYSA-N 1 1 182.311 1.507 10 30 ADEEMO C=C1CCC[N@H+]([C@@H](C)[C@H](C)C[NH3+])C1 688694254 572398316 /nfs/dbraw/zinc/39/83/16/572398316.db2.gz QDSUUPZIWBMICA-MNOVXSKESA-N 1 1 182.311 1.622 10 30 ADEEMO C=C1C[N@H+](C2CC2)[C@H]2CCCN1C2 307157937 572398363 /nfs/dbraw/zinc/39/83/63/572398363.db2.gz ROSCUUIQCUNEBV-NSHDSACASA-N 1 1 178.279 1.443 10 30 ADEEMO C=C1C[N@@H+](C2CC2)[C@H]2CCCN1C2 307157937 572398366 /nfs/dbraw/zinc/39/83/66/572398366.db2.gz ROSCUUIQCUNEBV-NSHDSACASA-N 1 1 178.279 1.443 10 30 ADEEMO C=C(C)C[N@H+]1CCC[C@@]12CCOC2 307156707 572398568 /nfs/dbraw/zinc/39/85/68/572398568.db2.gz GJAUXZZJYKXBCB-NSHDSACASA-N 1 1 181.279 1.817 10 30 ADEEMO C=C(C)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C 307172635 572398602 /nfs/dbraw/zinc/39/86/02/572398602.db2.gz QAFPJQYRTXHIGB-TUAOUCFPSA-N 1 1 196.338 1.868 10 30 ADEEMO C=C(Cl)C[N@H+]1C[C@@H](C)C[C@H](O)C1 307185214 572398799 /nfs/dbraw/zinc/39/87/99/572398799.db2.gz RVJIVCGQYGMNFC-CBAPKCEASA-N 1 1 189.686 1.442 10 30 ADEEMO C=C1CCC[N@H+]([C@H](C)[C@@H](C)C[NH3+])C1 688694257 572399242 /nfs/dbraw/zinc/39/92/42/572399242.db2.gz QDSUUPZIWBMICA-WDEREUQCSA-N 1 1 182.311 1.622 10 30 ADEEMO C=C1CCC[N@H+]([C@@H](C)[C@@H](C)C[NH3+])C1 688694255 572399381 /nfs/dbraw/zinc/39/93/81/572399381.db2.gz QDSUUPZIWBMICA-QWRGUYRKSA-N 1 1 182.311 1.622 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCC[C@H]1CCO 308014885 572399700 /nfs/dbraw/zinc/39/97/00/572399700.db2.gz RBFCJAJOAUYPPZ-ZJUUUORDSA-N 1 1 169.268 1.408 10 30 ADEEMO C=C1CCC[N@H+]([C@H](C)[C@H](C)C[NH3+])C1 688694252 572400226 /nfs/dbraw/zinc/40/02/26/572400226.db2.gz QDSUUPZIWBMICA-GHMZBOCLSA-N 1 1 182.311 1.622 10 30 ADEEMO N#Cc1cc(NCc2cnc[nH]2)ccn1 84081340 572400323 /nfs/dbraw/zinc/40/03/23/572400323.db2.gz TXYNXGBYJSGDEW-UHFFFAOYSA-N 1 1 199.217 1.288 10 30 ADEEMO C=C[C@H](C)[N@H+]1C[C@@H](O)C[C@@H]1C 307260004 572400326 /nfs/dbraw/zinc/40/03/26/572400326.db2.gz RVMQUKUQHZVUBX-CIUDSAMLSA-N 1 1 155.241 1.016 10 30 ADEEMO C=C[C@H](C)[NH+]1C[C@@H]2CN(C)C[C@H]2C1 307257434 572400889 /nfs/dbraw/zinc/40/08/89/572400889.db2.gz BBDKFTGFZAVMMD-DCAQKATOSA-N 1 1 180.295 1.054 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCC[C@@H]1CCO 308014878 572401053 /nfs/dbraw/zinc/40/10/53/572401053.db2.gz RBFCJAJOAUYPPZ-VHSXEESVSA-N 1 1 169.268 1.408 10 30 ADEEMO N#Cc1cccnc1NCc1cnc[nH]1 84081257 572401062 /nfs/dbraw/zinc/40/10/62/572401062.db2.gz NFWRYDYNPQHUJQ-UHFFFAOYSA-N 1 1 199.217 1.288 10 30 ADEEMO N#Cc1cccc(NCc2cnc[nH]2)n1 84081264 572401590 /nfs/dbraw/zinc/40/15/90/572401590.db2.gz ACQRRQVMFQLAHH-UHFFFAOYSA-N 1 1 199.217 1.288 10 30 ADEEMO N#Cc1ccc(NCc2cnc[nH]2)nc1 84081352 572401808 /nfs/dbraw/zinc/40/18/08/572401808.db2.gz CCZATXPPGFBKGA-UHFFFAOYSA-N 1 1 199.217 1.288 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCC[C@H]1CCO 308014872 572401813 /nfs/dbraw/zinc/40/18/13/572401813.db2.gz RBFCJAJOAUYPPZ-UWVGGRQHSA-N 1 1 169.268 1.408 10 30 ADEEMO C[C@H](N/C(N)=[NH+]/O)c1ccccc1F 52834166 572402250 /nfs/dbraw/zinc/40/22/50/572402250.db2.gz RXJPDAFVNWGJHC-LURJTMIESA-N 1 1 197.213 1.180 10 30 ADEEMO Cc1cc([C@@H](C)N/C(N)=[NH+]/O)c(C)o1 52834494 572402283 /nfs/dbraw/zinc/40/22/83/572402283.db2.gz YVLABACSDJCUQW-ZCFIWIBFSA-N 1 1 197.238 1.251 10 30 ADEEMO C#CCn1c[nH+]c2c1C[C@@H](C)[C@H](C)C2 307257105 572402327 /nfs/dbraw/zinc/40/23/27/572402327.db2.gz BDLCBOCKHIXGBU-NXEZZACHSA-N 1 1 188.274 1.887 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCC[C@@H]1CCO 308014866 572402410 /nfs/dbraw/zinc/40/24/10/572402410.db2.gz RBFCJAJOAUYPPZ-NXEZZACHSA-N 1 1 169.268 1.408 10 30 ADEEMO C[C@@H](N/C(N)=[NH+]/O)c1ccccc1F 52834168 572402478 /nfs/dbraw/zinc/40/24/78/572402478.db2.gz RXJPDAFVNWGJHC-ZCFIWIBFSA-N 1 1 197.213 1.180 10 30 ADEEMO Cc1cc([C@H](C)N/C(N)=[NH+]/O)c(C)o1 52834496 572402491 /nfs/dbraw/zinc/40/24/91/572402491.db2.gz YVLABACSDJCUQW-LURJTMIESA-N 1 1 197.238 1.251 10 30 ADEEMO C[C@H](N/C(N)=[NH+]/O)c1ccc(F)cc1 52834205 572402627 /nfs/dbraw/zinc/40/26/27/572402627.db2.gz QXJKSKLNTSTQQU-LURJTMIESA-N 1 1 197.213 1.180 10 30 ADEEMO C[C@@H](N/C(N)=[NH+]/O)c1ccc(F)cc1 52834208 572402794 /nfs/dbraw/zinc/40/27/94/572402794.db2.gz QXJKSKLNTSTQQU-ZCFIWIBFSA-N 1 1 197.213 1.180 10 30 ADEEMO C#CC[N@H+](C)[C@@H](C)c1cccc(N)c1 307281279 572403893 /nfs/dbraw/zinc/40/38/93/572403893.db2.gz CCRASCGKCDFPMQ-JTQLQIEISA-N 1 1 188.274 1.895 10 30 ADEEMO CCC(C)(C)[N@@H+](C)CC[C@H]1CO1 308015821 572404146 /nfs/dbraw/zinc/40/41/46/572404146.db2.gz HHLHNYVHWLIRRN-VIFPVBQESA-N 1 1 171.284 1.896 10 30 ADEEMO C=CC[N@@H+](CC)CCC1(O)CC1 308015818 572404238 /nfs/dbraw/zinc/40/42/38/572404238.db2.gz HHHBYQQUFHCYIW-UHFFFAOYSA-N 1 1 169.268 1.409 10 30 ADEEMO CCC(C)(C)[N@@H+](C)CC[C@@H]1CO1 308015820 572404269 /nfs/dbraw/zinc/40/42/69/572404269.db2.gz HHLHNYVHWLIRRN-SECBINFHSA-N 1 1 171.284 1.896 10 30 ADEEMO C=CC[N@@H+]1C[C@@H](C)[C@@](C)(C[NH3+])C1 307268369 572405089 /nfs/dbraw/zinc/40/50/89/572405089.db2.gz KIWTVKQAMGYSDC-ZJUUUORDSA-N 1 1 168.284 1.089 10 30 ADEEMO C=C[C@H](C)[N@H+]1C[C@H](O)C[C@H]1C 307260005 572406159 /nfs/dbraw/zinc/40/61/59/572406159.db2.gz RVMQUKUQHZVUBX-DJLDLDEBSA-N 1 1 155.241 1.016 10 30 ADEEMO C#CCC[N@@H+]1CC[C@H](CO)C[C@@H]1C 307279016 572406196 /nfs/dbraw/zinc/40/61/96/572406196.db2.gz VXPSGVZKHCGENA-QWRGUYRKSA-N 1 1 181.279 1.103 10 30 ADEEMO CCC1(CC)CC[N@@H+](C[C@@H]2CO2)C1 87252542 572410052 /nfs/dbraw/zinc/41/00/52/572410052.db2.gz NDJRDQBFIHHZPQ-SNVBAGLBSA-N 1 1 183.295 1.897 10 30 ADEEMO COCC#CC[N@@H+]1CCC[C@H]1CF 307258738 572406903 /nfs/dbraw/zinc/40/69/03/572406903.db2.gz CXIQKOMRZSRFKE-JTQLQIEISA-N 1 1 185.242 1.070 10 30 ADEEMO COCC#CC[N@H+]1CCC[C@H]1CF 307258738 572406907 /nfs/dbraw/zinc/40/69/07/572406907.db2.gz CXIQKOMRZSRFKE-JTQLQIEISA-N 1 1 185.242 1.070 10 30 ADEEMO C=CCCc1nnc([C@H]([NH3+])C(C)C)o1 238791972 572407493 /nfs/dbraw/zinc/40/74/93/572407493.db2.gz DQVXULMSVVCCJE-SECBINFHSA-N 1 1 195.266 1.844 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)Cc1cccc(N)n1 307265189 572407934 /nfs/dbraw/zinc/40/79/34/572407934.db2.gz YFHRBEUOMIEUOT-VIFPVBQESA-N 1 1 189.262 1.117 10 30 ADEEMO CCC1(CC)CC[N@@H+](CC=O)C1 87256909 572408120 /nfs/dbraw/zinc/40/81/20/572408120.db2.gz BPLIIKDRCUCWCZ-UHFFFAOYSA-N 1 1 169.268 1.697 10 30 ADEEMO CN[C@@H](C#N)CC[N@H+]1CCC(C)(C)C1 87258022 572408473 /nfs/dbraw/zinc/40/84/73/572408473.db2.gz HNRRRDJEQJZFQB-SNVBAGLBSA-N 1 1 195.310 1.220 10 30 ADEEMO CC1(C)CC[N@@H+](CCC/C(N)=N/O)C1 87254695 572408988 /nfs/dbraw/zinc/40/89/88/572408988.db2.gz GTKXDYGPLJCPMR-UHFFFAOYSA-N 1 1 199.298 1.245 10 30 ADEEMO C#CCn1c[nH+]c2c1C[C@H](C)[C@H](C)C2 307257109 572409107 /nfs/dbraw/zinc/40/91/07/572409107.db2.gz BDLCBOCKHIXGBU-ZJUUUORDSA-N 1 1 188.274 1.887 10 30 ADEEMO C=CCNCC[N@H+]1CCC(C)(C)C1 87255146 572410527 /nfs/dbraw/zinc/41/05/27/572410527.db2.gz CFMSGYSXTUYNCN-UHFFFAOYSA-N 1 1 182.311 1.494 10 30 ADEEMO C=CCNCC[N@@H+]1CCC(C)(C)C1 87255146 572410530 /nfs/dbraw/zinc/41/05/30/572410530.db2.gz CFMSGYSXTUYNCN-UHFFFAOYSA-N 1 1 182.311 1.494 10 30 ADEEMO CCC1(CC)CC[N@H+](C[C@@H](N)C#N)C1 87258143 572410822 /nfs/dbraw/zinc/41/08/22/572410822.db2.gz YMOFJZMASPXHGJ-JTQLQIEISA-N 1 1 195.310 1.349 10 30 ADEEMO CCC1(CC)CC[N@@H+](C[C@@H](N)C#N)C1 87258143 572410826 /nfs/dbraw/zinc/41/08/26/572410826.db2.gz YMOFJZMASPXHGJ-JTQLQIEISA-N 1 1 195.310 1.349 10 30 ADEEMO C#CCN(CC)[C@@H]1C[C@H](C)[N@@H+](C)C1 307207900 572410878 /nfs/dbraw/zinc/41/08/78/572410878.db2.gz NNJMOEGBZZYRPZ-WDEREUQCSA-N 1 1 180.295 1.034 10 30 ADEEMO CCC1(CC)CC[N@@H+](C[C@H]2CO2)C1 87252544 572410889 /nfs/dbraw/zinc/41/08/89/572410889.db2.gz NDJRDQBFIHHZPQ-JTQLQIEISA-N 1 1 183.295 1.897 10 30 ADEEMO C=CC[C@@H]([NH2+]CCC)C(=O)OC 238795226 572410901 /nfs/dbraw/zinc/41/09/01/572410901.db2.gz JRLAPAIYTNYPNA-MRVPVSSYSA-N 1 1 171.240 1.104 10 30 ADEEMO C=C[C@H](C)Nc1cc(N)nc(CC)[nH+]1 307262134 572411437 /nfs/dbraw/zinc/41/14/37/572411437.db2.gz RIMIJMUCXVSBOY-ZETCQYMHSA-N 1 1 192.266 1.608 10 30 ADEEMO CN[C@H](C#N)CC[N@H+]1CCC(C)(C)C1 87258020 572411688 /nfs/dbraw/zinc/41/16/88/572411688.db2.gz HNRRRDJEQJZFQB-JTQLQIEISA-N 1 1 195.310 1.220 10 30 ADEEMO CCC1(CC)CC[N@@H+](C/C(N)=N/O)C1 87254711 572411867 /nfs/dbraw/zinc/41/18/67/572411867.db2.gz PPJNTILLZVXZNO-UHFFFAOYSA-N 1 1 199.298 1.245 10 30 ADEEMO CCC1(CC)CC[N@H+](C[C@H](N)C#N)C1 87258140 572411988 /nfs/dbraw/zinc/41/19/88/572411988.db2.gz YMOFJZMASPXHGJ-SNVBAGLBSA-N 1 1 195.310 1.349 10 30 ADEEMO CCC1(CC)CC[N@@H+](C[C@H](N)C#N)C1 87258140 572411992 /nfs/dbraw/zinc/41/19/92/572411992.db2.gz YMOFJZMASPXHGJ-SNVBAGLBSA-N 1 1 195.310 1.349 10 30 ADEEMO C#CC(C)(C)[N@@H+](CC)C[C@H](C)O 238232821 572412138 /nfs/dbraw/zinc/41/21/38/572412138.db2.gz XOIKPNPDHJQYCL-VIFPVBQESA-N 1 1 169.268 1.101 10 30 ADEEMO C=CCNC[C@H](C)[N@@H+]1CCC(C)(C)C1 87259209 572412754 /nfs/dbraw/zinc/41/27/54/572412754.db2.gz IECHKVSZRJSBQI-NSHDSACASA-N 1 1 196.338 1.882 10 30 ADEEMO C=CCNC[C@H](C)[N@H+]1CCC(C)(C)C1 87259209 572412756 /nfs/dbraw/zinc/41/27/56/572412756.db2.gz IECHKVSZRJSBQI-NSHDSACASA-N 1 1 196.338 1.882 10 30 ADEEMO C=C[C@H](C)[N@H+]1C[C@@H](O)C[C@H]1C 307260007 572412922 /nfs/dbraw/zinc/41/29/22/572412922.db2.gz RVMQUKUQHZVUBX-YIZRAAEISA-N 1 1 155.241 1.016 10 30 ADEEMO C=CCC[C@]1(O)CC[N@H+]2CCC[C@H]21 307295333 572413498 /nfs/dbraw/zinc/41/34/98/572413498.db2.gz PLAXFSMNEUVGBR-QWRGUYRKSA-N 1 1 181.279 1.552 10 30 ADEEMO C=C1C[N@H+]2CCCC[C@@H]2CN1C(C)=O 307273823 572414079 /nfs/dbraw/zinc/41/40/79/572414079.db2.gz XHBWEMPXAUOPEQ-LLVKDONJSA-N 1 1 194.278 1.217 10 30 ADEEMO C=C1C[N@@H+]2CCCC[C@@H]2CN1C(C)=O 307273823 572414080 /nfs/dbraw/zinc/41/40/80/572414080.db2.gz XHBWEMPXAUOPEQ-LLVKDONJSA-N 1 1 194.278 1.217 10 30 ADEEMO C=CC(C)(C)C[N@H+]1CCCN[C@H](C)C1 307244110 572414369 /nfs/dbraw/zinc/41/43/69/572414369.db2.gz KWYDHMNWNYCNCA-LLVKDONJSA-N 1 1 196.338 1.882 10 30 ADEEMO C=CC(C)(C)CN1CCC[NH2+][C@H](C)C1 307244110 572414371 /nfs/dbraw/zinc/41/43/71/572414371.db2.gz KWYDHMNWNYCNCA-LLVKDONJSA-N 1 1 196.338 1.882 10 30 ADEEMO C=C(C)CO[NH+]=C1CCCCN1 307224983 572414658 /nfs/dbraw/zinc/41/46/58/572414658.db2.gz TYJROBKZJDNEII-UHFFFAOYSA-N 1 1 168.240 1.666 10 30 ADEEMO CCCC[C@H](C#N)N1CC[NH+](C)CC1 83804598 572414903 /nfs/dbraw/zinc/41/49/03/572414903.db2.gz WBBOIOVBBLQNLR-LLVKDONJSA-N 1 1 195.310 1.316 10 30 ADEEMO C=C[C@H](C)[N@H+]1C[C@H](C)C[C@@H](CO)C1 307219975 572415156 /nfs/dbraw/zinc/41/51/56/572415156.db2.gz WVSCBHKJANAQHR-OUAUKWLOSA-N 1 1 183.295 1.511 10 30 ADEEMO CCN(C)N=C1CC[N@H+]2CCC[C@H]12 379409975 572415217 /nfs/dbraw/zinc/41/52/17/572415217.db2.gz FCBMJNREZKBCSR-SNVBAGLBSA-N 1 1 181.283 1.162 10 30 ADEEMO C#CCNC[C@@H](C)[N@H+](C)C(C)(C)CC 69012643 572415250 /nfs/dbraw/zinc/41/52/50/572415250.db2.gz KLKPXLRBQMHFJE-LLVKDONJSA-N 1 1 196.338 1.718 10 30 ADEEMO C=CCC[N@@H+]1CCC[C@H](N)[C@H]1C 307225300 572415257 /nfs/dbraw/zinc/41/52/57/572415257.db2.gz UJLKJODLHORIRP-ZJUUUORDSA-N 1 1 168.284 1.374 10 30 ADEEMO C=CCCN1CCC[C@H]([NH3+])[C@H]1C 307225300 572415260 /nfs/dbraw/zinc/41/52/60/572415260.db2.gz UJLKJODLHORIRP-ZJUUUORDSA-N 1 1 168.284 1.374 10 30 ADEEMO CCCC[C@@H](C#N)N1CC[NH+](C)CC1 83804596 572415523 /nfs/dbraw/zinc/41/55/23/572415523.db2.gz WBBOIOVBBLQNLR-NSHDSACASA-N 1 1 195.310 1.316 10 30 ADEEMO CCCC[NH+]=C(C)NOC(=O)NC 238236938 572415625 /nfs/dbraw/zinc/41/56/25/572415625.db2.gz CODOGHSYGVUAMN-UHFFFAOYSA-N 1 1 187.243 1.066 10 30 ADEEMO CCN(C)N=C1CC[N@H+]2CCC[C@@H]12 379409974 572415632 /nfs/dbraw/zinc/41/56/32/572415632.db2.gz FCBMJNREZKBCSR-JTQLQIEISA-N 1 1 181.283 1.162 10 30 ADEEMO C#CCn1c[nH+]c2c1C[C@@H](C)[C@@H](C)C2 307257108 572415896 /nfs/dbraw/zinc/41/58/96/572415896.db2.gz BDLCBOCKHIXGBU-VHSXEESVSA-N 1 1 188.274 1.887 10 30 ADEEMO C#CCC[N@@H+]1CCC[C@H](SC)C1 307254603 572415944 /nfs/dbraw/zinc/41/59/44/572415944.db2.gz YCPXOBHRQOUENZ-JTQLQIEISA-N 1 1 183.320 1.837 10 30 ADEEMO C=CCC[C@]1(O)CC[N@H+]2CCC[C@@H]21 307295332 572416198 /nfs/dbraw/zinc/41/61/98/572416198.db2.gz PLAXFSMNEUVGBR-MNOVXSKESA-N 1 1 181.279 1.552 10 30 ADEEMO C=CCC[N@@H+]1CCC[C@H](N)[C@@H]1C 307225298 572416556 /nfs/dbraw/zinc/41/65/56/572416556.db2.gz UJLKJODLHORIRP-UWVGGRQHSA-N 1 1 168.284 1.374 10 30 ADEEMO C=CCCN1CCC[C@H]([NH3+])[C@@H]1C 307225298 572416559 /nfs/dbraw/zinc/41/65/59/572416559.db2.gz UJLKJODLHORIRP-UWVGGRQHSA-N 1 1 168.284 1.374 10 30 ADEEMO C#CC[N@H+]1CCS[C@H]2CCC[C@@H]21 307201971 572416977 /nfs/dbraw/zinc/41/69/77/572416977.db2.gz CWXYADFTYPZGKQ-UWVGGRQHSA-N 1 1 181.304 1.590 10 30 ADEEMO C#CCN(CC)[C@H]1C[C@@H](C)[N@@H+](C)C1 307207898 572417237 /nfs/dbraw/zinc/41/72/37/572417237.db2.gz NNJMOEGBZZYRPZ-MNOVXSKESA-N 1 1 180.295 1.034 10 30 ADEEMO C=C1CN(C2CC2)C[C@@H]2CCC[N@@H+]12 307276133 572417284 /nfs/dbraw/zinc/41/72/84/572417284.db2.gz USIGFSUPIKENRN-NSHDSACASA-N 1 1 178.279 1.443 10 30 ADEEMO C#CCNCC[N@H+](C)C(C)(C)CC 69012598 572417345 /nfs/dbraw/zinc/41/73/45/572417345.db2.gz YGHIDHJWAKHGOE-UHFFFAOYSA-N 1 1 182.311 1.330 10 30 ADEEMO C#CC[NH2+]CCN(C)C(C)(C)CC 69012598 572417347 /nfs/dbraw/zinc/41/73/47/572417347.db2.gz YGHIDHJWAKHGOE-UHFFFAOYSA-N 1 1 182.311 1.330 10 30 ADEEMO C#C[C@@H](C)[NH2+][C@@H](C)c1cnc(C)cn1 307297170 572417379 /nfs/dbraw/zinc/41/73/79/572417379.db2.gz RZBQOSKYUATTIB-SCZZXKLOSA-N 1 1 189.262 1.457 10 30 ADEEMO C=CCN(c1[nH+]cccc1N)C1CC1 236359045 572417523 /nfs/dbraw/zinc/41/75/23/572417523.db2.gz CGQOVKAJOXZDEX-UHFFFAOYSA-N 1 1 189.262 1.819 10 30 ADEEMO C=CCCO[C@H](C)C[C@](C)([NH3+])C#N 402404388 572417995 /nfs/dbraw/zinc/41/79/95/572417995.db2.gz JSEHTZQYOPSZOA-ZJUUUORDSA-N 1 1 182.267 1.599 10 30 ADEEMO C=C(C)CC[N@@H+]1CCN[C@H](C)[C@H]1C 307239049 572418219 /nfs/dbraw/zinc/41/82/19/572418219.db2.gz PDEPMTVFXPVCAX-GHMZBOCLSA-N 1 1 182.311 1.635 10 30 ADEEMO C=C(C)CCN1CC[NH2+][C@H](C)[C@H]1C 307239049 572418222 /nfs/dbraw/zinc/41/82/22/572418222.db2.gz PDEPMTVFXPVCAX-GHMZBOCLSA-N 1 1 182.311 1.635 10 30 ADEEMO CC1(C)CNCC[N@@H+]1CCCCC#N 83842754 572418240 /nfs/dbraw/zinc/41/82/40/572418240.db2.gz KLXKADYNNQZRHC-UHFFFAOYSA-N 1 1 195.310 1.364 10 30 ADEEMO CC1(C)CNCC[N@H+]1CCCCC#N 83842754 572418242 /nfs/dbraw/zinc/41/82/42/572418242.db2.gz KLXKADYNNQZRHC-UHFFFAOYSA-N 1 1 195.310 1.364 10 30 ADEEMO C#CC[N@@H+](CC)CCC=C 307261268 572418349 /nfs/dbraw/zinc/41/83/49/572418349.db2.gz PCPUIWAWOJCGHK-UHFFFAOYSA-N 1 1 137.226 1.518 10 30 ADEEMO C=CCCO[C@@H](C)C[C@@](C)([NH3+])C#N 402404387 572418745 /nfs/dbraw/zinc/41/87/45/572418745.db2.gz JSEHTZQYOPSZOA-VHSXEESVSA-N 1 1 182.267 1.599 10 30 ADEEMO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2C(F)(F)F 307255141 572418664 /nfs/dbraw/zinc/41/86/64/572418664.db2.gz AJEVNBKHFMZRDE-JIGDXULJSA-N 1 1 189.180 1.360 10 30 ADEEMO Cc1cccc(C[N@H+](C)C[C@H]2CO2)n1 87331321 572418962 /nfs/dbraw/zinc/41/89/62/572418962.db2.gz LDRNWQHPOOFBSG-NSHDSACASA-N 1 1 192.262 1.221 10 30 ADEEMO Cc1cccc(C[N@@H+](C)C[C@H]2CO2)n1 87331321 572418965 /nfs/dbraw/zinc/41/89/65/572418965.db2.gz LDRNWQHPOOFBSG-NSHDSACASA-N 1 1 192.262 1.221 10 30 ADEEMO CCN(C)N=C1CC[N@@H+](C)[C@H](C)C1 379411369 572418968 /nfs/dbraw/zinc/41/89/68/572418968.db2.gz HZOGXFQOYKSMRY-SECBINFHSA-N 1 1 183.299 1.408 10 30 ADEEMO CC[C@@H](C)[C@H]([NH3+])c1nnc(CC#N)o1 238797985 572419197 /nfs/dbraw/zinc/41/91/97/572419197.db2.gz FLMABSXFOZNYJL-SVRRBLITSA-N 1 1 194.238 1.182 10 30 ADEEMO CC[N@H+](Cc1ccccn1)C[C@@H]1CO1 87331316 572420247 /nfs/dbraw/zinc/42/02/47/572420247.db2.gz ZOQBPRPJWNVAIF-LLVKDONJSA-N 1 1 192.262 1.302 10 30 ADEEMO C=CCCO[C@@H](C)C[C@](C)([NH3+])C#N 402404386 572419465 /nfs/dbraw/zinc/41/94/65/572419465.db2.gz JSEHTZQYOPSZOA-UWVGGRQHSA-N 1 1 182.267 1.599 10 30 ADEEMO C=CCC[C@@]1(O)CC[N@H+]2CCC[C@H]21 307295334 572419825 /nfs/dbraw/zinc/41/98/25/572419825.db2.gz PLAXFSMNEUVGBR-WDEREUQCSA-N 1 1 181.279 1.552 10 30 ADEEMO CC[C@H](C)O[C@H]1CCC[C@]([NH3+])(C#N)C1 687827131 572421499 /nfs/dbraw/zinc/42/14/99/572421499.db2.gz NZBVWGJZYVEGQS-GARJFASQSA-N 1 1 196.294 1.965 10 30 ADEEMO CC[N@@H+](CCS)Cc1ccccn1 87333491 572419888 /nfs/dbraw/zinc/41/98/88/572419888.db2.gz ILWXOJAYYSCVLW-UHFFFAOYSA-N 1 1 196.319 1.833 10 30 ADEEMO C=CC[C@H]([NH2+]C)C(F)F 234439959 572419921 /nfs/dbraw/zinc/41/99/21/572419921.db2.gz DNBCDKJVIMUHNH-YFKPBYRVSA-N 1 1 135.157 1.416 10 30 ADEEMO C=CCCO[C@H](C)C[C@@](C)([NH3+])C#N 402404385 572419956 /nfs/dbraw/zinc/41/99/56/572419956.db2.gz JSEHTZQYOPSZOA-NXEZZACHSA-N 1 1 182.267 1.599 10 30 ADEEMO Cc1cccc(C[N@H+](C)C[C@@H]2CO2)n1 87331319 572420297 /nfs/dbraw/zinc/42/02/97/572420297.db2.gz LDRNWQHPOOFBSG-LLVKDONJSA-N 1 1 192.262 1.221 10 30 ADEEMO Cc1cccc(C[N@@H+](C)C[C@@H]2CO2)n1 87331319 572420307 /nfs/dbraw/zinc/42/03/07/572420307.db2.gz LDRNWQHPOOFBSG-LLVKDONJSA-N 1 1 192.262 1.221 10 30 ADEEMO CCN(C)N=C1CC[N@@H+](C)[C@@H](C)C1 379411370 572420522 /nfs/dbraw/zinc/42/05/22/572420522.db2.gz HZOGXFQOYKSMRY-VIFPVBQESA-N 1 1 183.299 1.408 10 30 ADEEMO C=C[C@H](C)[N@@H+]1C[C@@H](CO)C[C@@H](C)C1 307219976 572420981 /nfs/dbraw/zinc/42/09/81/572420981.db2.gz WVSCBHKJANAQHR-VWYCJHECSA-N 1 1 183.295 1.511 10 30 ADEEMO CC[C@H](C)O[C@@H]1CCC[C@@]([NH3+])(C#N)C1 687827129 572421046 /nfs/dbraw/zinc/42/10/46/572421046.db2.gz NZBVWGJZYVEGQS-AXFHLTTASA-N 1 1 196.294 1.965 10 30 ADEEMO Cc1ccnc(-n2cc[nH+]c2C)c1C#N 135087571 572421242 /nfs/dbraw/zinc/42/12/42/572421242.db2.gz LHDYPYMANKVVAK-UHFFFAOYSA-N 1 1 198.229 1.756 10 30 ADEEMO C#CC(C)(C)[N@@H+](C)CC1(C)COC1 307281225 572421286 /nfs/dbraw/zinc/42/12/86/572421286.db2.gz GYOQWXYTNKQHII-UHFFFAOYSA-N 1 1 181.279 1.367 10 30 ADEEMO C#C[C@@H]([NH2+]CCC)c1ncc[nH]1 87342262 572421448 /nfs/dbraw/zinc/42/14/48/572421448.db2.gz RQVTZXKMDPARSJ-MRVPVSSYSA-N 1 1 163.224 1.084 10 30 ADEEMO CC[C@H](C)O[C@H]1CCC[C@@]([NH3+])(C#N)C1 687827130 572421671 /nfs/dbraw/zinc/42/16/71/572421671.db2.gz NZBVWGJZYVEGQS-DCAQKATOSA-N 1 1 196.294 1.965 10 30 ADEEMO Cc1cccc(C[N@@H+](C)CCS)n1 87333512 572421780 /nfs/dbraw/zinc/42/17/80/572421780.db2.gz ZABAFDXDMFQTIC-UHFFFAOYSA-N 1 1 196.319 1.752 10 30 ADEEMO CC[N@H+](Cc1ccccn1)C[C@H]1CO1 87331317 572421792 /nfs/dbraw/zinc/42/17/92/572421792.db2.gz ZOQBPRPJWNVAIF-NSHDSACASA-N 1 1 192.262 1.302 10 30 ADEEMO CC[C@H](C)O[C@@H]1CCC[C@]([NH3+])(C#N)C1 687827132 572422072 /nfs/dbraw/zinc/42/20/72/572422072.db2.gz NZBVWGJZYVEGQS-HBNTYKKESA-N 1 1 196.294 1.965 10 30 ADEEMO Cc1cccc(C[N@H+](C)CCC=O)n1 87332415 572422179 /nfs/dbraw/zinc/42/21/79/572422179.db2.gz JZGHDIWJDOERGF-UHFFFAOYSA-N 1 1 192.262 1.411 10 30 ADEEMO Cc1cccc(C[N@@H+](C)CCC=O)n1 87332415 572422180 /nfs/dbraw/zinc/42/21/80/572422180.db2.gz JZGHDIWJDOERGF-UHFFFAOYSA-N 1 1 192.262 1.411 10 30 ADEEMO C[N@@H+](CCc1ccccc1)C[C@H]1CO1 83852720 572423935 /nfs/dbraw/zinc/42/39/35/572423935.db2.gz USVCCSARKZAJJG-LBPRGKRZSA-N 1 1 191.274 1.560 10 30 ADEEMO C[N@@H+](CCc1ccccc1)C[C@@H]1CO1 83852719 572422667 /nfs/dbraw/zinc/42/26/67/572422667.db2.gz USVCCSARKZAJJG-GFCCVEGCSA-N 1 1 191.274 1.560 10 30 ADEEMO C[N@@H+](CCC=O)CCc1ccccc1 83852746 572422689 /nfs/dbraw/zinc/42/26/89/572422689.db2.gz SNLQTCAIKDMMCS-UHFFFAOYSA-N 1 1 191.274 1.750 10 30 ADEEMO CC[N@@H+](CCC=O)Cc1ccccn1 87332342 572422908 /nfs/dbraw/zinc/42/29/08/572422908.db2.gz RHLYHOZUEVXDFK-UHFFFAOYSA-N 1 1 192.262 1.493 10 30 ADEEMO C=CCN(c1ccc(N)c[nH+]1)C1CC1 236366619 572423956 /nfs/dbraw/zinc/42/39/56/572423956.db2.gz OGRWWJBKPMRVEA-UHFFFAOYSA-N 1 1 189.262 1.819 10 30 ADEEMO C=C(Cl)C[N@H+]1CCOCC[C@@H]1C 307263602 572423926 /nfs/dbraw/zinc/42/39/26/572423926.db2.gz VUPFRRXBDZOUAR-VIFPVBQESA-N 1 1 189.686 1.850 10 30 ADEEMO C[NH+](C)CCCNCC1(CC#N)CC1 83853668 572423739 /nfs/dbraw/zinc/42/37/39/572423739.db2.gz DGZIGMZNZDVGLO-UHFFFAOYSA-N 1 1 195.310 1.222 10 30 ADEEMO CN(C)CCC[NH2+]CC1(CC#N)CC1 83853668 572423743 /nfs/dbraw/zinc/42/37/43/572423743.db2.gz DGZIGMZNZDVGLO-UHFFFAOYSA-N 1 1 195.310 1.222 10 30 ADEEMO C=C(Cl)C[N@@H+]1CCOCC[C@@H]1C 307263602 572423928 /nfs/dbraw/zinc/42/39/28/572423928.db2.gz VUPFRRXBDZOUAR-VIFPVBQESA-N 1 1 189.686 1.850 10 30 ADEEMO C=CCC[N@H+](C)C1CC1 307298362 572424558 /nfs/dbraw/zinc/42/45/58/572424558.db2.gz UDGKTNMATJVANU-UHFFFAOYSA-N 1 1 125.215 1.657 10 30 ADEEMO C=C[C@@H]1CCCC[N@@H+]1CCF 307204501 572424691 /nfs/dbraw/zinc/42/46/91/572424691.db2.gz FXHGEMAZLVJDOK-SECBINFHSA-N 1 1 157.232 1.996 10 30 ADEEMO CC#CCC[N@H+]1C[C@@H](O)CC[C@H]1C 307240306 572424711 /nfs/dbraw/zinc/42/47/11/572424711.db2.gz GYUNGOLKMYDGRZ-MNOVXSKESA-N 1 1 181.279 1.245 10 30 ADEEMO C=CCOC(=O)[C@@H]([NH2+]C)[C@H](C)CC 238798165 572424739 /nfs/dbraw/zinc/42/47/39/572424739.db2.gz AYPMWYGVZNVKOF-BDAKNGLRSA-N 1 1 185.267 1.350 10 30 ADEEMO C=C(C)[C@H](O)[C@@H]1C[N@@H+](C(C)C)CCO1 307219330 572424852 /nfs/dbraw/zinc/42/48/52/572424852.db2.gz HBIKFETTWQRFFK-QWRGUYRKSA-N 1 1 199.294 1.033 10 30 ADEEMO C=CCN(CC=C)c1cc[nH+]c(N)n1 236366087 572425226 /nfs/dbraw/zinc/42/52/26/572425226.db2.gz ASQDHPRXWOSKEO-UHFFFAOYSA-N 1 1 190.250 1.237 10 30 ADEEMO C=C[C@H](C)[N@H+]1C[C@H](O)C[C@@H]1C 307260006 572425493 /nfs/dbraw/zinc/42/54/93/572425493.db2.gz RVMQUKUQHZVUBX-XHNCKOQMSA-N 1 1 155.241 1.016 10 30 ADEEMO C=C[C@H](C)[N@H+]1C[C@@H](C)C[C@@H](CO)C1 307219974 572428141 /nfs/dbraw/zinc/42/81/41/572428141.db2.gz WVSCBHKJANAQHR-GARJFASQSA-N 1 1 183.295 1.511 10 30 ADEEMO C#CC[N@@H+]1CC[C@@H]1CC 307209919 572426165 /nfs/dbraw/zinc/42/61/65/572426165.db2.gz PXIATZMDQSQSFZ-QMMMGPOBSA-N 1 1 123.199 1.104 10 30 ADEEMO C=C[C@H](C)[N@H+]1CC[C@H](C)C1 307272828 572426185 /nfs/dbraw/zinc/42/61/85/572426185.db2.gz JJCUXELLMJUKMT-IUCAKERBSA-N 1 1 139.242 1.903 10 30 ADEEMO CCC#C[C@H](C)[N@@H+](C)C[C@H](C)O 307202988 572426486 /nfs/dbraw/zinc/42/64/86/572426486.db2.gz DPUVNTPEEQSFOE-UWVGGRQHSA-N 1 1 169.268 1.101 10 30 ADEEMO CCC#C[C@@H](C)[N@@H+](C)C[C@H](C)O 307202999 572426616 /nfs/dbraw/zinc/42/66/16/572426616.db2.gz DPUVNTPEEQSFOE-ZJUUUORDSA-N 1 1 169.268 1.101 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)Cc1cccc(N)n1 307265187 572426973 /nfs/dbraw/zinc/42/69/73/572426973.db2.gz YFHRBEUOMIEUOT-SECBINFHSA-N 1 1 189.262 1.117 10 30 ADEEMO C#CC[N@H+]1CCS[C@H]2CCC[C@H]21 307201975 572427011 /nfs/dbraw/zinc/42/70/11/572427011.db2.gz CWXYADFTYPZGKQ-ZJUUUORDSA-N 1 1 181.304 1.590 10 30 ADEEMO C=C1C[N@@H+](CC)C2CCN1CC2 307275649 572427095 /nfs/dbraw/zinc/42/70/95/572427095.db2.gz RUVNCNUEJDEOLP-UHFFFAOYSA-N 1 1 166.268 1.300 10 30 ADEEMO C=C1C[N@H+](CC)C2CCN1CC2 307275649 572427102 /nfs/dbraw/zinc/42/71/02/572427102.db2.gz RUVNCNUEJDEOLP-UHFFFAOYSA-N 1 1 166.268 1.300 10 30 ADEEMO C#CCC[N@H+]1CCO[C@H](C2CC2)C1 307283773 572427183 /nfs/dbraw/zinc/42/71/83/572427183.db2.gz IPJDGFLHHMDWQS-NSHDSACASA-N 1 1 179.263 1.121 10 30 ADEEMO COCC#CC[N@@H+]1CCC[C@@H]1CF 307258739 572427549 /nfs/dbraw/zinc/42/75/49/572427549.db2.gz CXIQKOMRZSRFKE-SNVBAGLBSA-N 1 1 185.242 1.070 10 30 ADEEMO COCC#CC[N@H+]1CCC[C@@H]1CF 307258739 572427552 /nfs/dbraw/zinc/42/75/52/572427552.db2.gz CXIQKOMRZSRFKE-SNVBAGLBSA-N 1 1 185.242 1.070 10 30 ADEEMO C=CCC[C@@]1(O)CC[N@H+]2CCC[C@@H]21 307295331 572428166 /nfs/dbraw/zinc/42/81/66/572428166.db2.gz PLAXFSMNEUVGBR-GHMZBOCLSA-N 1 1 181.279 1.552 10 30 ADEEMO C#CC[N@@H+](C)Cc1ccc(Cl)nc1 307201985 572428178 /nfs/dbraw/zinc/42/81/78/572428178.db2.gz CXECYBRUMNROAH-UHFFFAOYSA-N 1 1 194.665 1.800 10 30 ADEEMO C#CC[N@H+](C)Cc1ccc(Cl)nc1 307201985 572428179 /nfs/dbraw/zinc/42/81/79/572428179.db2.gz CXECYBRUMNROAH-UHFFFAOYSA-N 1 1 194.665 1.800 10 30 ADEEMO C=CC[N@@H+]1CCn2c(C)cnc2C1 307288068 572428460 /nfs/dbraw/zinc/42/84/60/572428460.db2.gz WKILTEJZTBVUEP-UHFFFAOYSA-N 1 1 177.251 1.193 10 30 ADEEMO C=CC[N@H+]1CCn2c(C)cnc2C1 307288068 572428463 /nfs/dbraw/zinc/42/84/63/572428463.db2.gz WKILTEJZTBVUEP-UHFFFAOYSA-N 1 1 177.251 1.193 10 30 ADEEMO CC#CCC[N@H+]1C[C@H](O)CC[C@H]1C 307240299 572428874 /nfs/dbraw/zinc/42/88/74/572428874.db2.gz GYUNGOLKMYDGRZ-GHMZBOCLSA-N 1 1 181.279 1.245 10 30 ADEEMO C#CC[N@H+]1CCS[C@@H]2CCC[C@H]21 307201969 572429034 /nfs/dbraw/zinc/42/90/34/572429034.db2.gz CWXYADFTYPZGKQ-NXEZZACHSA-N 1 1 181.304 1.590 10 30 ADEEMO C=CC(C)(C)C[N@H+]1CCCN[C@@H](C)C1 307244111 572429225 /nfs/dbraw/zinc/42/92/25/572429225.db2.gz KWYDHMNWNYCNCA-NSHDSACASA-N 1 1 196.338 1.882 10 30 ADEEMO C=CC(C)(C)CN1CCC[NH2+][C@@H](C)C1 307244111 572429231 /nfs/dbraw/zinc/42/92/31/572429231.db2.gz KWYDHMNWNYCNCA-NSHDSACASA-N 1 1 196.338 1.882 10 30 ADEEMO C#CCC[N@H+]1CCC2(CC2)C1 307273139 572429518 /nfs/dbraw/zinc/42/95/18/572429518.db2.gz OHKMUJLGBYMOOW-UHFFFAOYSA-N 1 1 149.237 1.496 10 30 ADEEMO C=C(C)[C@@H](O)[C@H]1C[N@@H+](C(C)C)CCO1 307219328 572429898 /nfs/dbraw/zinc/42/98/98/572429898.db2.gz HBIKFETTWQRFFK-GHMZBOCLSA-N 1 1 199.294 1.033 10 30 ADEEMO C=C(Cl)C[N@H+](C)C[C@H]1CCCO1 308021028 572432673 /nfs/dbraw/zinc/43/26/73/572432673.db2.gz VHAIDTGLKGXIOP-SECBINFHSA-N 1 1 189.686 1.850 10 30 ADEEMO C#C[C@H](C)[NH2+][C@@H](C)c1cnc(C)cn1 307297172 572431827 /nfs/dbraw/zinc/43/18/27/572431827.db2.gz RZBQOSKYUATTIB-WPRPVWTQSA-N 1 1 189.262 1.457 10 30 ADEEMO C#CC[N@H+](C)Cc1cc(N)cc(F)c1 307230570 572431863 /nfs/dbraw/zinc/43/18/63/572431863.db2.gz KWCXZWIFQQWNTB-UHFFFAOYSA-N 1 1 192.237 1.473 10 30 ADEEMO C#C[C@H](C)[NH2+]Cc1conc1C 307397379 572432398 /nfs/dbraw/zinc/43/23/98/572432398.db2.gz VMFPSRCPTWAMTC-ZETCQYMHSA-N 1 1 164.208 1.094 10 30 ADEEMO C[C@H](C#N)CN(C)[C@@H]1CCC[N@@H+](C)C1 53245255 572432517 /nfs/dbraw/zinc/43/25/17/572432517.db2.gz BDLZCBBZUFLESD-GHMZBOCLSA-N 1 1 195.310 1.172 10 30 ADEEMO C=C(Cl)C[N@@H+](C)C[C@H]1CCCO1 308021028 572432676 /nfs/dbraw/zinc/43/26/76/572432676.db2.gz VHAIDTGLKGXIOP-SECBINFHSA-N 1 1 189.686 1.850 10 30 ADEEMO C=CCC[N@H+](C)CC[C@@H]([NH3+])CC 308020884 572433137 /nfs/dbraw/zinc/43/31/37/572433137.db2.gz UMQLVTGKRWDIHV-JTQLQIEISA-N 1 1 170.300 1.622 10 30 ADEEMO C#CC[N@H+](C)[C@H](C)c1cccc(N)c1 307281280 572433760 /nfs/dbraw/zinc/43/37/60/572433760.db2.gz CCRASCGKCDFPMQ-SNVBAGLBSA-N 1 1 188.274 1.895 10 30 ADEEMO C[C@@H](C#N)CN(C)[C@@H]1CCC[N@@H+](C)C1 53245256 572433784 /nfs/dbraw/zinc/43/37/84/572433784.db2.gz BDLZCBBZUFLESD-WDEREUQCSA-N 1 1 195.310 1.172 10 30 ADEEMO C=CC[C@@]([NH3+])(C(=O)OC)C1=CCCC1 238799793 572434011 /nfs/dbraw/zinc/43/40/11/572434011.db2.gz HMELCSFKIDSCRK-NSHDSACASA-N 1 1 195.262 1.543 10 30 ADEEMO C=C(C)C[N@@H+](CC)CC1(N)CC1 83836663 572434091 /nfs/dbraw/zinc/43/40/91/572434091.db2.gz PIGRPDGHQGOENN-UHFFFAOYSA-N 1 1 168.284 1.376 10 30 ADEEMO C=C(C)C[N@H+](CC)CC1(N)CC1 83836663 572434094 /nfs/dbraw/zinc/43/40/94/572434094.db2.gz PIGRPDGHQGOENN-UHFFFAOYSA-N 1 1 168.284 1.376 10 30 ADEEMO C[N@@H+](C[C@@H](O)C1CC1)CC(C)(C)C#N 687828203 572434723 /nfs/dbraw/zinc/43/47/23/572434723.db2.gz IPXHROPMKZINKF-SNVBAGLBSA-N 1 1 196.294 1.239 10 30 ADEEMO COC[C@H]1CCC[N@H+]1CC(C)(C)C#N 687828208 572434757 /nfs/dbraw/zinc/43/47/57/572434757.db2.gz NMUYAWBHNAAIEG-SNVBAGLBSA-N 1 1 196.294 1.647 10 30 ADEEMO CC(C)[N@H+](C/C(N)=N/O)CC1CCC1 83839232 572434775 /nfs/dbraw/zinc/43/47/75/572434775.db2.gz WUZOBPXVMBWTLY-UHFFFAOYSA-N 1 1 199.298 1.243 10 30 ADEEMO CC(C)[N@@H+](C[C@@H](C)O)CC(C)(C)C#N 687828240 572434922 /nfs/dbraw/zinc/43/49/22/572434922.db2.gz QFLKWUMTZCQNMO-SNVBAGLBSA-N 1 1 198.310 1.627 10 30 ADEEMO CC(C)(C#N)C[N@@H+](CCO)CC1CC1 687828206 572434976 /nfs/dbraw/zinc/43/49/76/572434976.db2.gz NLHLCNUHBMCHEG-UHFFFAOYSA-N 1 1 196.294 1.240 10 30 ADEEMO COCC1([N@@H+](C)CC(C)(C)C#N)CC1 687828210 572435196 /nfs/dbraw/zinc/43/51/96/572435196.db2.gz QIIVBMNBJXJUKH-UHFFFAOYSA-N 1 1 196.294 1.647 10 30 ADEEMO COCC1([N@H+](C)CC(C)(C)C#N)CC1 687828210 572435192 /nfs/dbraw/zinc/43/51/92/572435192.db2.gz QIIVBMNBJXJUKH-UHFFFAOYSA-N 1 1 196.294 1.647 10 30 ADEEMO C[N@@H+](CC(C)(C)C#N)C(C)(C)CCO 687828233 572435382 /nfs/dbraw/zinc/43/53/82/572435382.db2.gz IROMYCIGNJXWJA-UHFFFAOYSA-N 1 1 198.310 1.629 10 30 ADEEMO CC[N@@H+](CC/C(N)=N/O)CC1CCC1 83839199 572435436 /nfs/dbraw/zinc/43/54/36/572435436.db2.gz QHCNPTTZPZRXCK-UHFFFAOYSA-N 1 1 199.298 1.245 10 30 ADEEMO CC(C)[N@@H+](C[C@H](C)O)CC(C)(C)C#N 687828239 572435490 /nfs/dbraw/zinc/43/54/90/572435490.db2.gz QFLKWUMTZCQNMO-JTQLQIEISA-N 1 1 198.310 1.627 10 30 ADEEMO COC[C@@H]1CCC[N@H+]1CC(C)(C)C#N 687828207 572435740 /nfs/dbraw/zinc/43/57/40/572435740.db2.gz NMUYAWBHNAAIEG-JTQLQIEISA-N 1 1 196.294 1.647 10 30 ADEEMO C[N@@H+](C[C@H](O)C1CC1)CC(C)(C)C#N 687828202 572435832 /nfs/dbraw/zinc/43/58/32/572435832.db2.gz IPXHROPMKZINKF-JTQLQIEISA-N 1 1 196.294 1.239 10 30 ADEEMO CC[N@@H+](CC(C)(C)C#N)C(C)(C)CO 687828230 572436063 /nfs/dbraw/zinc/43/60/63/572436063.db2.gz ASTZSCFHZWCOGR-UHFFFAOYSA-N 1 1 198.310 1.629 10 30 ADEEMO C=C[C@H](C)[NH2+][C@H]1CC[C@@H](C)NC1 307394427 572436112 /nfs/dbraw/zinc/43/61/12/572436112.db2.gz NNSMACGJKUSGNC-AEJSXWLSSA-N 1 1 168.284 1.291 10 30 ADEEMO CCC[N@H+](C/C(N)=N/O)CC1CCC1 83839211 572436176 /nfs/dbraw/zinc/43/61/76/572436176.db2.gz ISETXUUOKNTLCS-UHFFFAOYSA-N 1 1 199.298 1.245 10 30 ADEEMO C=C(C[N@H+]1CCS[C@H](C)C1)OC 307337859 572436241 /nfs/dbraw/zinc/43/62/41/572436241.db2.gz UBJNJIJEMNPVLW-SECBINFHSA-N 1 1 187.308 1.584 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCC[C@H]1CF 307346400 572436467 /nfs/dbraw/zinc/43/64/67/572436467.db2.gz LURISJGRRAZDID-IUCAKERBSA-N 1 1 157.232 1.995 10 30 ADEEMO C#C[C@@H]([NH2+][C@H](C)C#C)c1ccccc1 307310555 572436600 /nfs/dbraw/zinc/43/66/00/572436600.db2.gz YFZSIHPQSPTPHA-DGCLKSJQSA-N 1 1 183.254 1.972 10 30 ADEEMO C#C[C@@H](C(C)C)[N@@H+]1CCC(=O)C[C@H]1C 300938188 572436669 /nfs/dbraw/zinc/43/66/69/572436669.db2.gz OKXXUYPAWTXDMD-PWSUYJOCSA-N 1 1 193.290 1.698 10 30 ADEEMO C#C[C@@H](C(C)C)[N@H+]1CCC(=O)C[C@H]1C 300938188 572436671 /nfs/dbraw/zinc/43/66/71/572436671.db2.gz OKXXUYPAWTXDMD-PWSUYJOCSA-N 1 1 193.290 1.698 10 30 ADEEMO C#CC[N@H+]1[C@@H](C)CC1(C)C 307319443 572436695 /nfs/dbraw/zinc/43/66/95/572436695.db2.gz NNSOGKTVBIBRGH-QMMMGPOBSA-N 1 1 137.226 1.492 10 30 ADEEMO CCCC[NH2+]CC[NH2+]CCCS 238239107 572436735 /nfs/dbraw/zinc/43/67/35/572436735.db2.gz KCEWHCVVFQPCPN-UHFFFAOYSA-N 1 1 190.356 1.286 10 30 ADEEMO CCCCNCC[NH2+]CCCS 238239107 572436739 /nfs/dbraw/zinc/43/67/39/572436739.db2.gz KCEWHCVVFQPCPN-UHFFFAOYSA-N 1 1 190.356 1.286 10 30 ADEEMO C=C(C)C[N@@H+](C)[C@H]1C[C@H](C)OC1=O 307317346 572437115 /nfs/dbraw/zinc/43/71/15/572437115.db2.gz KMZQJXLZAWJWFK-IUCAKERBSA-N 1 1 183.251 1.198 10 30 ADEEMO C=C(C)C[N@H+](C)[C@H]1C[C@H](C)OC1=O 307317346 572437120 /nfs/dbraw/zinc/43/71/20/572437120.db2.gz KMZQJXLZAWJWFK-IUCAKERBSA-N 1 1 183.251 1.198 10 30 ADEEMO C=C(C)C(=C)C[C@@H]([NH3+])C(=O)OC 238800035 572437222 /nfs/dbraw/zinc/43/72/22/572437222.db2.gz LKIXSKGUPFSVHE-MRVPVSSYSA-N 1 1 169.224 1.009 10 30 ADEEMO C=C(CC)C[N@@H+]1CCNC(C)(C)C1 307338466 572437559 /nfs/dbraw/zinc/43/75/59/572437559.db2.gz QLSOTTKWIIPNCX-UHFFFAOYSA-N 1 1 182.311 1.636 10 30 ADEEMO C=C(CC)C[N@H+]1CCNC(C)(C)C1 307338466 572437590 /nfs/dbraw/zinc/43/75/90/572437590.db2.gz QLSOTTKWIIPNCX-UHFFFAOYSA-N 1 1 182.311 1.636 10 30 ADEEMO C#CCC[C@H]([NH2+]C)C(F)F 234444119 572437779 /nfs/dbraw/zinc/43/77/79/572437779.db2.gz HPJRYQVLIJESEK-LURJTMIESA-N 1 1 147.168 1.253 10 30 ADEEMO C=C(C[N@H+]1CCS[C@@H](C)C1)OC 307337861 572437855 /nfs/dbraw/zinc/43/78/55/572437855.db2.gz UBJNJIJEMNPVLW-VIFPVBQESA-N 1 1 187.308 1.584 10 30 ADEEMO C=CCC[N@H+]1[C@H]2CC[C@@H]1CCNC2 307311352 572438158 /nfs/dbraw/zinc/43/81/58/572438158.db2.gz GBIBEKVVPFSGTL-MNOVXSKESA-N 1 1 180.295 1.389 10 30 ADEEMO C=CCC[N@@H+]1[C@H]2CC[C@@H]1CCNC2 307311352 572438162 /nfs/dbraw/zinc/43/81/62/572438162.db2.gz GBIBEKVVPFSGTL-MNOVXSKESA-N 1 1 180.295 1.389 10 30 ADEEMO C=C1CC[NH+]([C@H](CC)CN)CC1 307392757 572438178 /nfs/dbraw/zinc/43/81/78/572438178.db2.gz ZRAVFUKHAWURDA-SNVBAGLBSA-N 1 1 168.284 1.376 10 30 ADEEMO C[N@@H+](CCC(F)(F)F)C[C@@H]1CO1 83879580 572438741 /nfs/dbraw/zinc/43/87/41/572438741.db2.gz IOFXUAQVLGOBEH-ZCFIWIBFSA-N 1 1 183.173 1.269 10 30 ADEEMO C#CCC[N@H+]1CCC[C@H]2COC[C@H]21 307319051 572439091 /nfs/dbraw/zinc/43/90/91/572439091.db2.gz MZNJIJVSTXOGFA-WDEREUQCSA-N 1 1 179.263 1.121 10 30 ADEEMO C=CC[N@H+](CCC)C(C)(C)CO 238239616 572440069 /nfs/dbraw/zinc/44/00/69/572440069.db2.gz UELSYTGXSMFJHY-UHFFFAOYSA-N 1 1 171.284 1.655 10 30 ADEEMO C=C[C@@H](C)[C@@H]([NH2+]C(C)(C)C)C(=O)OC 238801620 572440178 /nfs/dbraw/zinc/44/01/78/572440178.db2.gz QADVFVXTGXQMOW-RKDXNWHRSA-N 1 1 199.294 1.738 10 30 ADEEMO C=C[C@H](C)[C@@H]([NH2+]C(C)(C)C)C(=O)OC 238801614 572440212 /nfs/dbraw/zinc/44/02/12/572440212.db2.gz QADVFVXTGXQMOW-DTWKUNHWSA-N 1 1 199.294 1.738 10 30 ADEEMO C=CC[N@H+](C)C[C@@H]1C[C@H]1C 307335654 572440278 /nfs/dbraw/zinc/44/02/78/572440278.db2.gz GUZNWQRKXRPPKQ-BDAKNGLRSA-N 1 1 139.242 1.760 10 30 ADEEMO C=C(C)C[C@@H]([NH2+]C)C(F)F 234443035 572440356 /nfs/dbraw/zinc/44/03/56/572440356.db2.gz GNTNSVJUJLWQQE-ZCFIWIBFSA-N 1 1 149.184 1.806 10 30 ADEEMO C=CC[N@@H+](CCC)CCC(C)=O 238240036 572440888 /nfs/dbraw/zinc/44/08/88/572440888.db2.gz DECNQCIZADDNCY-UHFFFAOYSA-N 1 1 169.268 1.864 10 30 ADEEMO C=C1CCC[N@@H+](Cc2cn[nH]c2)C1 307390621 572441358 /nfs/dbraw/zinc/44/13/58/572441358.db2.gz SZISNUHLLWYCCS-UHFFFAOYSA-N 1 1 177.251 1.562 10 30 ADEEMO C[N@@H+](CCC=O)CCC(F)(F)F 83889975 572441717 /nfs/dbraw/zinc/44/17/17/572441717.db2.gz KIYFRZGMISBJST-UHFFFAOYSA-N 1 1 183.173 1.460 10 30 ADEEMO C=C(C)C[C@H]([NH2+]C)C(F)F 234442523 572441881 /nfs/dbraw/zinc/44/18/81/572441881.db2.gz GNTNSVJUJLWQQE-LURJTMIESA-N 1 1 149.184 1.806 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CC[C@H](C(=O)OC)C1 88430147 572441948 /nfs/dbraw/zinc/44/19/48/572441948.db2.gz OBRQLTHZNLLEGX-BDAKNGLRSA-N 1 1 183.251 1.056 10 30 ADEEMO Cc1c[nH+]cn1-c1ccc(N)c(C#N)c1 117221188 572442178 /nfs/dbraw/zinc/44/21/78/572442178.db2.gz OGYJQQGHDGSNKO-UHFFFAOYSA-N 1 1 198.229 1.635 10 30 ADEEMO C=C[C@H](C)[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C 307377986 572442220 /nfs/dbraw/zinc/44/22/20/572442220.db2.gz WLLYHDDJHJZCAC-YFKTTZPYSA-N 1 1 196.338 1.866 10 30 ADEEMO C=CC[N@H+](C)[C@@H](C)C(OC)OC 714441132 572442267 /nfs/dbraw/zinc/44/22/67/572442267.db2.gz DWHUPQWMQHIBJZ-QMMMGPOBSA-N 1 1 173.256 1.112 10 30 ADEEMO CCC[N@@H+](C)CC1(C/C(N)=N/O)CC1 83855724 572442820 /nfs/dbraw/zinc/44/28/20/572442820.db2.gz VMRCXUCULUYXIR-UHFFFAOYSA-N 1 1 199.298 1.245 10 30 ADEEMO C#CCCNc1cc(C)[nH+]c(CC)n1 307306918 572442706 /nfs/dbraw/zinc/44/27/06/572442706.db2.gz KWTVWMSLMMLYNG-UHFFFAOYSA-N 1 1 189.262 1.783 10 30 ADEEMO C=CC[N@H+](C)[C@H](C)C(OC)OC 714441131 572442839 /nfs/dbraw/zinc/44/28/39/572442839.db2.gz DWHUPQWMQHIBJZ-MRVPVSSYSA-N 1 1 173.256 1.112 10 30 ADEEMO C=C[C@H](C)[N@H+]1CC[C@H](C(=O)OC)C1 88430146 572442844 /nfs/dbraw/zinc/44/28/44/572442844.db2.gz OBRQLTHZNLLEGX-IUCAKERBSA-N 1 1 183.251 1.056 10 30 ADEEMO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CO)C1 307345808 572443001 /nfs/dbraw/zinc/44/30/01/572443001.db2.gz OJHJFTITNIXEPP-APPZFPTMSA-N 1 1 189.686 1.299 10 30 ADEEMO C=CCC[N@@H+]1C[C@@H](C)[C@@H]1C 307318520 572443173 /nfs/dbraw/zinc/44/31/73/572443173.db2.gz MIUBNAVSKLQUHV-BDAKNGLRSA-N 1 1 139.242 1.903 10 30 ADEEMO CC(C)[N@@H+](C)CC1(C/C(N)=N/O)CC1 83855704 572443316 /nfs/dbraw/zinc/44/33/16/572443316.db2.gz LAWWALBCXPMPKC-UHFFFAOYSA-N 1 1 199.298 1.243 10 30 ADEEMO C#CCCC[N@H+]1CCC[C@@]12CCOC2 307324832 572443938 /nfs/dbraw/zinc/44/39/38/572443938.db2.gz KYHOVNHULOEHQQ-LBPRGKRZSA-N 1 1 193.290 1.655 10 30 ADEEMO C#CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 307300282 572444111 /nfs/dbraw/zinc/44/41/11/572444111.db2.gz WAWOUPBPDPJQHN-TUAOUCFPSA-N 1 1 192.306 1.082 10 30 ADEEMO C#C[C@H]([NH2+]CC)c1cc(C)n(C)n1 300963551 572444168 /nfs/dbraw/zinc/44/41/68/572444168.db2.gz VVLVCQAOHNIMFP-VIFPVBQESA-N 1 1 177.251 1.012 10 30 ADEEMO C=CCN[C@H](C[NH3+])CC1=CCCCC1 238805492 572444804 /nfs/dbraw/zinc/44/48/04/572444804.db2.gz IBWKDCCZVFJPQQ-LBPRGKRZSA-N 1 1 194.322 1.980 10 30 ADEEMO C=CC[NH2+][C@H](C[NH3+])CC1=CCCCC1 238805492 572444802 /nfs/dbraw/zinc/44/48/02/572444802.db2.gz IBWKDCCZVFJPQQ-LBPRGKRZSA-N 1 1 194.322 1.980 10 30 ADEEMO C=C(C[NH+]1C[C@H](C)O[C@@H](C)C1)OC 307311572 572445532 /nfs/dbraw/zinc/44/55/32/572445532.db2.gz CAIRXZNSEBKEFP-UWVGGRQHSA-N 1 1 185.267 1.256 10 30 ADEEMO COC[C@@H](C)[N@@H+](C)CC1(CC#N)CC1 83862344 572445590 /nfs/dbraw/zinc/44/55/90/572445590.db2.gz LGCIBQNKUVZOJB-SNVBAGLBSA-N 1 1 196.294 1.647 10 30 ADEEMO C#CCC[C@@H]([NH2+]C)C(F)F 234449515 572445644 /nfs/dbraw/zinc/44/56/44/572445644.db2.gz HPJRYQVLIJESEK-ZCFIWIBFSA-N 1 1 147.168 1.253 10 30 ADEEMO CC[N@@H+](C[C@@H](C)O)CC(C)(C)C#N 687828445 572446004 /nfs/dbraw/zinc/44/60/04/572446004.db2.gz PIHVAJIRHOOIBK-SECBINFHSA-N 1 1 184.283 1.239 10 30 ADEEMO COC[C@H](C)[N@@H+](C)CC1(CC#N)CC1 83862341 572446040 /nfs/dbraw/zinc/44/60/40/572446040.db2.gz LGCIBQNKUVZOJB-JTQLQIEISA-N 1 1 196.294 1.647 10 30 ADEEMO C[C@H]1CC(=O)[C@@H](CCC#N)C[N@@H+]1C 32218398 572446205 /nfs/dbraw/zinc/44/62/05/572446205.db2.gz UIXIFIZJUAPGNB-IUCAKERBSA-N 1 1 180.251 1.199 10 30 ADEEMO C[C@H]1CC(=O)[C@@H](CCC#N)C[N@H+]1C 32218398 572446215 /nfs/dbraw/zinc/44/62/15/572446215.db2.gz UIXIFIZJUAPGNB-IUCAKERBSA-N 1 1 180.251 1.199 10 30 ADEEMO C#C[C@H](CCC)[N@@H+](CCO)C(C)C 238241921 572446353 /nfs/dbraw/zinc/44/63/53/572446353.db2.gz MEUHRBVPUPQXNY-LLVKDONJSA-N 1 1 183.295 1.491 10 30 ADEEMO CC(C)c1[nH+]cc2n1C[C@H](C=O)CC2 107179666 572446685 /nfs/dbraw/zinc/44/66/85/572446685.db2.gz OOCGJTVHVSWQIU-SECBINFHSA-N 1 1 192.262 1.768 10 30 ADEEMO CC(C)c1[nH+]cc2n1C[C@@H](C=O)CC2 107179668 572446736 /nfs/dbraw/zinc/44/67/36/572446736.db2.gz OOCGJTVHVSWQIU-VIFPVBQESA-N 1 1 192.262 1.768 10 30 ADEEMO CCc1[nH+]c(C)c2n1[C@H](C=O)CCC2 107179663 572447055 /nfs/dbraw/zinc/44/70/55/572447055.db2.gz BYHMNUKUULCVMR-VIFPVBQESA-N 1 1 192.262 1.830 10 30 ADEEMO CC[N@@H+](C[C@H](C)O)CC(C)(C)C#N 687828446 572447072 /nfs/dbraw/zinc/44/70/72/572447072.db2.gz PIHVAJIRHOOIBK-VIFPVBQESA-N 1 1 184.283 1.239 10 30 ADEEMO C=CC[C@@H]([NH2+]C)C(F)F 234446531 572447713 /nfs/dbraw/zinc/44/77/13/572447713.db2.gz DNBCDKJVIMUHNH-RXMQYKEDSA-N 1 1 135.157 1.416 10 30 ADEEMO C[C@@H]1CC(=O)[C@@H](CCC#N)C[N@@H+]1C 32218397 572447902 /nfs/dbraw/zinc/44/79/02/572447902.db2.gz UIXIFIZJUAPGNB-BDAKNGLRSA-N 1 1 180.251 1.199 10 30 ADEEMO C[C@@H]1CC(=O)[C@@H](CCC#N)C[N@H+]1C 32218397 572447904 /nfs/dbraw/zinc/44/79/04/572447904.db2.gz UIXIFIZJUAPGNB-BDAKNGLRSA-N 1 1 180.251 1.199 10 30 ADEEMO CCC/C=[NH+]/C[C@H](O)COCCC 238242169 572449159 /nfs/dbraw/zinc/44/91/59/572449159.db2.gz HPXHXVWPVHOKLJ-OTXQMUPVSA-N 1 1 187.283 1.645 10 30 ADEEMO C=CC(C)(C)C[N@H+]1CC[C@H](N)C1 307325102 572449497 /nfs/dbraw/zinc/44/94/97/572449497.db2.gz SMXLDHNAUPCNKN-VIFPVBQESA-N 1 1 168.284 1.232 10 30 ADEEMO C=CC(C)(C)CN1CC[C@H]([NH3+])C1 307325102 572449503 /nfs/dbraw/zinc/44/95/03/572449503.db2.gz SMXLDHNAUPCNKN-VIFPVBQESA-N 1 1 168.284 1.232 10 30 ADEEMO C#C[C@H](CCC)[N@@H+](CCCO)C(C)C 238241849 572449517 /nfs/dbraw/zinc/44/95/17/572449517.db2.gz LNLRSIXCLMFUGF-GFCCVEGCSA-N 1 1 197.322 1.881 10 30 ADEEMO C=C(C[NH+]1C[C@@H](C)O[C@H](C)C1)OC 307311571 572449853 /nfs/dbraw/zinc/44/98/53/572449853.db2.gz CAIRXZNSEBKEFP-NXEZZACHSA-N 1 1 185.267 1.256 10 30 ADEEMO C=C[C@H](C)[N@@H+]1C[C@@H](O)C[C@@H](C)C1 307377008 572449922 /nfs/dbraw/zinc/44/99/22/572449922.db2.gz VQXVZWGHBKAONM-UTLUCORTSA-N 1 1 169.268 1.264 10 30 ADEEMO C[C@@H]1CC(=O)[C@H](CCC#N)C[N@@H+]1C 32218399 572450082 /nfs/dbraw/zinc/45/00/82/572450082.db2.gz UIXIFIZJUAPGNB-RKDXNWHRSA-N 1 1 180.251 1.199 10 30 ADEEMO C[C@@H]1CC(=O)[C@H](CCC#N)C[N@H+]1C 32218399 572450089 /nfs/dbraw/zinc/45/00/89/572450089.db2.gz UIXIFIZJUAPGNB-RKDXNWHRSA-N 1 1 180.251 1.199 10 30 ADEEMO O=C[C@H]1CCC[N@@H+](CCC2CC2)C1 83940006 572450459 /nfs/dbraw/zinc/45/04/59/572450459.db2.gz JXGJZPBYMFJKED-NSHDSACASA-N 1 1 181.279 1.697 10 30 ADEEMO O=C[C@@H]1CCCC[N@H+]1CCC1CC1 83940010 572451091 /nfs/dbraw/zinc/45/10/91/572451091.db2.gz KBJVYEVXNPVGPD-NSHDSACASA-N 1 1 181.279 1.840 10 30 ADEEMO C#C[C@H]1CNCC[N@@H+]1CCCCC 238243875 572451009 /nfs/dbraw/zinc/45/10/09/572451009.db2.gz RHQCZIHMYKQSJE-NSHDSACASA-N 1 1 180.295 1.084 10 30 ADEEMO C=C(C)C[N@@H+](C)[C@H]1C[C@@H](C)OC1=O 307317344 572454032 /nfs/dbraw/zinc/45/40/32/572454032.db2.gz KMZQJXLZAWJWFK-BDAKNGLRSA-N 1 1 183.251 1.198 10 30 ADEEMO O=C[C@@H]1CCC[N@@H+](CCC2CC2)C1 83940007 572452382 /nfs/dbraw/zinc/45/23/82/572452382.db2.gz JXGJZPBYMFJKED-LLVKDONJSA-N 1 1 181.279 1.697 10 30 ADEEMO C#CCC[N@H+]1CC[C@H]2CCC[C@@H]21 307303963 572452457 /nfs/dbraw/zinc/45/24/57/572452457.db2.gz WELOTKSZKOCQHN-MNOVXSKESA-N 1 1 163.264 1.884 10 30 ADEEMO C#CCCC[N@H+]1CCC[C@]12CCOC2 307324831 572452588 /nfs/dbraw/zinc/45/25/88/572452588.db2.gz KYHOVNHULOEHQQ-GFCCVEGCSA-N 1 1 193.290 1.655 10 30 ADEEMO CC#CCC[C@H]([NH2+]C)C(F)F 234447229 572455499 /nfs/dbraw/zinc/45/54/99/572455499.db2.gz XIUMNRDPTRRIHW-ZETCQYMHSA-N 1 1 161.195 1.643 10 30 ADEEMO C#CC[N@H+]1[C@H](C)CC1(C)C 307319442 572453728 /nfs/dbraw/zinc/45/37/28/572453728.db2.gz NNSOGKTVBIBRGH-MRVPVSSYSA-N 1 1 137.226 1.492 10 30 ADEEMO C=CC[N@H+](C)C[C@H]1C[C@H]1C 307335660 572453848 /nfs/dbraw/zinc/45/38/48/572453848.db2.gz GUZNWQRKXRPPKQ-RKDXNWHRSA-N 1 1 139.242 1.760 10 30 ADEEMO C=C(C)C[N@H+](C)[C@H]1C[C@@H](C)OC1=O 307317344 572454034 /nfs/dbraw/zinc/45/40/34/572454034.db2.gz KMZQJXLZAWJWFK-BDAKNGLRSA-N 1 1 183.251 1.198 10 30 ADEEMO C[C@@H]1CNC[C@@H](C)[NH+]1CCCCC#N 68914142 572454517 /nfs/dbraw/zinc/45/45/17/572454517.db2.gz BOGITMQYRRIYAI-GHMZBOCLSA-N 1 1 195.310 1.362 10 30 ADEEMO C#C[C@@H](C(C)C)N1CCC[NH2+][C@@H](C)C1 300915184 572454769 /nfs/dbraw/zinc/45/47/69/572454769.db2.gz MIBLVJFKOXLARB-RYUDHWBXSA-N 1 1 194.322 1.328 10 30 ADEEMO C=C(C)C[N@@H+](C)[C@@H]1C[C@H](C)OC1=O 307317345 572454835 /nfs/dbraw/zinc/45/48/35/572454835.db2.gz KMZQJXLZAWJWFK-DTWKUNHWSA-N 1 1 183.251 1.198 10 30 ADEEMO C=C(C)C[N@H+](C)[C@@H]1C[C@H](C)OC1=O 307317345 572454840 /nfs/dbraw/zinc/45/48/40/572454840.db2.gz KMZQJXLZAWJWFK-DTWKUNHWSA-N 1 1 183.251 1.198 10 30 ADEEMO C[C@H]1CNC[C@@H](C)[N@@H+]1CCCCC#N 68914130 572454892 /nfs/dbraw/zinc/45/48/92/572454892.db2.gz BOGITMQYRRIYAI-PHIMTYICSA-N 1 1 195.310 1.362 10 30 ADEEMO C[C@H]1CNC[C@@H](C)[N@H+]1CCCCC#N 68914130 572454898 /nfs/dbraw/zinc/45/48/98/572454898.db2.gz BOGITMQYRRIYAI-PHIMTYICSA-N 1 1 195.310 1.362 10 30 ADEEMO O=C[C@@H]1CCC[N@H+](C2CCOCC2)C1 68958563 572455540 /nfs/dbraw/zinc/45/55/40/572455540.db2.gz ZZNBOMWLTQICME-SNVBAGLBSA-N 1 1 197.278 1.076 10 30 ADEEMO C#CC[N@H+](CC=C)C(C)C 307327532 572456200 /nfs/dbraw/zinc/45/62/00/572456200.db2.gz IZEITNOPKLJEAD-UHFFFAOYSA-N 1 1 137.226 1.516 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCC[C@H]1CF 307346398 572456494 /nfs/dbraw/zinc/45/64/94/572456494.db2.gz LURISJGRRAZDID-BDAKNGLRSA-N 1 1 157.232 1.995 10 30 ADEEMO C=CCC[N@@H+]1C[C@H](C)[C@H]1C 307318521 572456589 /nfs/dbraw/zinc/45/65/89/572456589.db2.gz MIUBNAVSKLQUHV-DTWKUNHWSA-N 1 1 139.242 1.903 10 30 ADEEMO O=C[C@H]1CCC[N@H+](C2CCOCC2)C1 68958558 572456804 /nfs/dbraw/zinc/45/68/04/572456804.db2.gz ZZNBOMWLTQICME-JTQLQIEISA-N 1 1 197.278 1.076 10 30 ADEEMO CCC[N@@H+](CC[C@H]1CO1)C(C)C 308032644 572457192 /nfs/dbraw/zinc/45/71/92/572457192.db2.gz JKXLSAOVUGITKY-JTQLQIEISA-N 1 1 171.284 1.896 10 30 ADEEMO CCC[N@@H+](CC[C@@H]1CO1)C(C)C 308032646 572457612 /nfs/dbraw/zinc/45/76/12/572457612.db2.gz JKXLSAOVUGITKY-SNVBAGLBSA-N 1 1 171.284 1.896 10 30 ADEEMO C=CCOCCC[C@]([NH3+])(C#N)CC 402417937 572457634 /nfs/dbraw/zinc/45/76/34/572457634.db2.gz ANDRFQCAOAXLNF-JTQLQIEISA-N 1 1 182.267 1.600 10 30 ADEEMO C#C[C@H](C)[NH2+][C@@H](C#C)c1ccccc1 307310554 572458056 /nfs/dbraw/zinc/45/80/56/572458056.db2.gz YFZSIHPQSPTPHA-AAEUAGOBSA-N 1 1 183.254 1.972 10 30 ADEEMO C=C1CCN([C@H](C)CC[NH3+])CC1 307348610 572458148 /nfs/dbraw/zinc/45/81/48/572458148.db2.gz YHZYRCBYHVEOGS-SNVBAGLBSA-N 1 1 168.284 1.376 10 30 ADEEMO CC[N@@H+](CCC=O)CC1CC1 68947475 572458240 /nfs/dbraw/zinc/45/82/40/572458240.db2.gz BRTBCDXCNYRWJF-UHFFFAOYSA-N 1 1 155.241 1.307 10 30 ADEEMO CCCC[N@@H+](CC)CC[C@@H]1CO1 308032642 572458325 /nfs/dbraw/zinc/45/83/25/572458325.db2.gz JKXJLWRYYBAWNA-SNVBAGLBSA-N 1 1 171.284 1.897 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCC[C@@H]1CF 307346401 572458458 /nfs/dbraw/zinc/45/84/58/572458458.db2.gz LURISJGRRAZDID-RKDXNWHRSA-N 1 1 157.232 1.995 10 30 ADEEMO C=C(CC)CNc1nc(N)cc[nH+]1 307394569 572458718 /nfs/dbraw/zinc/45/87/18/572458718.db2.gz DLLCBXUIMIJBOA-UHFFFAOYSA-N 1 1 178.239 1.437 10 30 ADEEMO C#CC(C)(C)[N@@H+](CC)[C@@H](C)CO 238255230 572458735 /nfs/dbraw/zinc/45/87/35/572458735.db2.gz PMQWJCGHGNVXRD-VIFPVBQESA-N 1 1 169.268 1.101 10 30 ADEEMO CCC[N@@H+](CCC1CC1)C/C(N)=N/O 83926840 572458765 /nfs/dbraw/zinc/45/87/65/572458765.db2.gz BYASZODCPPNAFW-UHFFFAOYSA-N 1 1 199.298 1.245 10 30 ADEEMO C[C@H](C/C(N)=N/O)[N@@H+](C)CCC1CC1 83926844 572458775 /nfs/dbraw/zinc/45/87/75/572458775.db2.gz TZJGQQFUWHBDBH-MRVPVSSYSA-N 1 1 199.298 1.243 10 30 ADEEMO C#CCC[N@H+]1CC[C@@H]2CCC[C@H]21 307303993 572459121 /nfs/dbraw/zinc/45/91/21/572459121.db2.gz WELOTKSZKOCQHN-WDEREUQCSA-N 1 1 163.264 1.884 10 30 ADEEMO CC[N@H+](CC/C(N)=N/O)CCC1CC1 83926832 572459516 /nfs/dbraw/zinc/45/95/16/572459516.db2.gz PYYUYFWKYIOGRD-UHFFFAOYSA-N 1 1 199.298 1.245 10 30 ADEEMO CCCC[C@@]([NH3+])(C#N)CC 68988434 572460837 /nfs/dbraw/zinc/46/08/37/572460837.db2.gz MSVRGJUYHVLBGN-MRVPVSSYSA-N 1 1 140.230 1.808 10 30 ADEEMO CC(C)[N@@H+](CCC1CC1)C/C(N)=N/O 83926855 572459797 /nfs/dbraw/zinc/45/97/97/572459797.db2.gz NCHRYSLWQNPDDR-UHFFFAOYSA-N 1 1 199.298 1.243 10 30 ADEEMO C#CC(C)(C)[N@@H+](C)[C@@H]1CCC[C@H]1O 307337440 572459928 /nfs/dbraw/zinc/45/99/28/572459928.db2.gz SYVUQDBQJZMPGA-NXEZZACHSA-N 1 1 181.279 1.243 10 30 ADEEMO C#C[C@@H]([NH2+]CCC)c1cnccn1 83945969 572459988 /nfs/dbraw/zinc/45/99/88/572459988.db2.gz FFSKVYOLGQBTFQ-SECBINFHSA-N 1 1 175.235 1.151 10 30 ADEEMO C[C@@H](C[N@@H+](C)CCC1CC1)/C(N)=N/O 83926833 572460255 /nfs/dbraw/zinc/46/02/55/572460255.db2.gz FMRDBSNARYRAKN-QMMMGPOBSA-N 1 1 199.298 1.101 10 30 ADEEMO C=C[C@H]([NH2+]CCC)c1ncccn1 83946004 572460311 /nfs/dbraw/zinc/46/03/11/572460311.db2.gz NJNYRGFIBVFWCR-VIFPVBQESA-N 1 1 177.251 1.703 10 30 ADEEMO C#C[C@@H](Nc1cc[nH+]c(N)n1)C(C)C 300955960 572460691 /nfs/dbraw/zinc/46/06/91/572460691.db2.gz QIMKXBSTQLDDQG-MRVPVSSYSA-N 1 1 190.250 1.129 10 30 ADEEMO C[C@@H](C/C(N)=N/O)[N@@H+](C)CCC1CC1 83926843 572461158 /nfs/dbraw/zinc/46/11/58/572461158.db2.gz TZJGQQFUWHBDBH-QMMMGPOBSA-N 1 1 199.298 1.243 10 30 ADEEMO C[C@H](C[N@@H+](C)CCC1CC1)/C(N)=N/O 83926834 572461794 /nfs/dbraw/zinc/46/17/94/572461794.db2.gz FMRDBSNARYRAKN-MRVPVSSYSA-N 1 1 199.298 1.101 10 30 ADEEMO C=C[C@@H]([NH2+]CCC)c1ncccn1 83946005 572461979 /nfs/dbraw/zinc/46/19/79/572461979.db2.gz NJNYRGFIBVFWCR-SECBINFHSA-N 1 1 177.251 1.703 10 30 ADEEMO C=C[C@H]([NH2+]CC)c1ncccn1 83945988 572462074 /nfs/dbraw/zinc/46/20/74/572462074.db2.gz LISBHCHNDNPBSX-QMMMGPOBSA-N 1 1 163.224 1.313 10 30 ADEEMO C=C[C@@H]([NH2+]CC)c1ncccn1 83945993 572462273 /nfs/dbraw/zinc/46/22/73/572462273.db2.gz LISBHCHNDNPBSX-MRVPVSSYSA-N 1 1 163.224 1.313 10 30 ADEEMO C=C(C)C[N@@H+](C)[C@@H]1C[C@@H](C)OC1=O 307317347 572462520 /nfs/dbraw/zinc/46/25/20/572462520.db2.gz KMZQJXLZAWJWFK-RKDXNWHRSA-N 1 1 183.251 1.198 10 30 ADEEMO C=C(C)C[N@H+](C)[C@@H]1C[C@@H](C)OC1=O 307317347 572462523 /nfs/dbraw/zinc/46/25/23/572462523.db2.gz KMZQJXLZAWJWFK-RKDXNWHRSA-N 1 1 183.251 1.198 10 30 ADEEMO N#C[C@@H]1CCC[C@@H]1[N@@H+]1CCCOCC1 61918452 572465465 /nfs/dbraw/zinc/46/54/65/572465465.db2.gz ZMSQASNAGXDBAV-QWRGUYRKSA-N 1 1 194.278 1.401 10 30 ADEEMO C=C(C)C[N@H+]1CC[C@H]2OCC[C@H]2C1 307349863 572463279 /nfs/dbraw/zinc/46/32/79/572463279.db2.gz OZOVPUVTQVATBS-WDEREUQCSA-N 1 1 181.279 1.673 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCC[C@@H]1CF 307346399 572463549 /nfs/dbraw/zinc/46/35/49/572463549.db2.gz LURISJGRRAZDID-DTWKUNHWSA-N 1 1 157.232 1.995 10 30 ADEEMO C=C[C@H](C)[NH2+][C@@H]1CC[C@H](C)NC1 307394431 572463572 /nfs/dbraw/zinc/46/35/72/572463572.db2.gz NNSMACGJKUSGNC-LPEHRKFASA-N 1 1 168.284 1.291 10 30 ADEEMO C=CCC[N@H+](CC)C(C)(C)CO 308035936 572464747 /nfs/dbraw/zinc/46/47/47/572464747.db2.gz KLBZGPVSJOESGK-UHFFFAOYSA-N 1 1 171.284 1.655 10 30 ADEEMO C#C[C@@H](C)[NH2+][C@@H](C#C)c1ccccc1 307310557 572464731 /nfs/dbraw/zinc/46/47/31/572464731.db2.gz YFZSIHPQSPTPHA-YPMHNXCESA-N 1 1 183.254 1.972 10 30 ADEEMO C=CC[C@@H]1[NH2+]C[C@@H]2C[C@H]1CN(C)C2 307375623 572464791 /nfs/dbraw/zinc/46/47/91/572464791.db2.gz USEYLFYVTQYTHT-DCAQKATOSA-N 1 1 180.295 1.102 10 30 ADEEMO C=C[C@H](C)[N@H+]1C[C@H](C)C[C@@H](O)C1 307377007 572464928 /nfs/dbraw/zinc/46/49/28/572464928.db2.gz VQXVZWGHBKAONM-KXUCPTDWSA-N 1 1 169.268 1.264 10 30 ADEEMO C#C[C@H]([NH2+]CCC)c1ccn(C)n1 83947712 572464929 /nfs/dbraw/zinc/46/49/29/572464929.db2.gz CLAJPWODIZQNST-VIFPVBQESA-N 1 1 177.251 1.094 10 30 ADEEMO C#C[C@@H](C)[NH2+][C@]1(CN)CCC1(C)C 307365431 572465305 /nfs/dbraw/zinc/46/53/05/572465305.db2.gz JOGXFBNDLRQZFM-KOLCDFICSA-N 1 1 180.295 1.115 10 30 ADEEMO N#C[C@@H]1CCC[C@@H]1[N@H+]1CCCOCC1 61918452 572465470 /nfs/dbraw/zinc/46/54/70/572465470.db2.gz ZMSQASNAGXDBAV-QWRGUYRKSA-N 1 1 194.278 1.401 10 30 ADEEMO C#C[C@@H]([NH2+]CCC)c1ccncn1 83947284 572465518 /nfs/dbraw/zinc/46/55/18/572465518.db2.gz LISJNGUWMQIGBL-SECBINFHSA-N 1 1 175.235 1.151 10 30 ADEEMO N#C[C@H]1CCC[C@H]1[N@@H+]1CCCOCC1 61918449 572465608 /nfs/dbraw/zinc/46/56/08/572465608.db2.gz ZMSQASNAGXDBAV-GHMZBOCLSA-N 1 1 194.278 1.401 10 30 ADEEMO N#C[C@H]1CCC[C@H]1[N@H+]1CCCOCC1 61918449 572465615 /nfs/dbraw/zinc/46/56/15/572465615.db2.gz ZMSQASNAGXDBAV-GHMZBOCLSA-N 1 1 194.278 1.401 10 30 ADEEMO N#C[C@H]1CCC[C@@H]1[N@@H+]1CCCOCC1 61918451 572465624 /nfs/dbraw/zinc/46/56/24/572465624.db2.gz ZMSQASNAGXDBAV-MNOVXSKESA-N 1 1 194.278 1.401 10 30 ADEEMO N#C[C@H]1CCC[C@@H]1[N@H+]1CCCOCC1 61918451 572465629 /nfs/dbraw/zinc/46/56/29/572465629.db2.gz ZMSQASNAGXDBAV-MNOVXSKESA-N 1 1 194.278 1.401 10 30 ADEEMO C#C[C@H](C(C)C)N1CCC[NH2+][C@H](C)C1 300915187 572465818 /nfs/dbraw/zinc/46/58/18/572465818.db2.gz MIBLVJFKOXLARB-VXGBXAGGSA-N 1 1 194.322 1.328 10 30 ADEEMO N#C[C@@H]1CCC[C@H]1[N@@H+]1CCCOCC1 61918450 572465852 /nfs/dbraw/zinc/46/58/52/572465852.db2.gz ZMSQASNAGXDBAV-WDEREUQCSA-N 1 1 194.278 1.401 10 30 ADEEMO N#C[C@@H]1CCC[C@H]1[N@H+]1CCCOCC1 61918450 572465855 /nfs/dbraw/zinc/46/58/55/572465855.db2.gz ZMSQASNAGXDBAV-WDEREUQCSA-N 1 1 194.278 1.401 10 30 ADEEMO C#C[C@H]([NH2+]CCC)c1ccncn1 83947282 572465894 /nfs/dbraw/zinc/46/58/94/572465894.db2.gz LISJNGUWMQIGBL-VIFPVBQESA-N 1 1 175.235 1.151 10 30 ADEEMO C#C[C@@H]([NH2+]CCC)c1ccn(C)n1 83947713 572465898 /nfs/dbraw/zinc/46/58/98/572465898.db2.gz CLAJPWODIZQNST-SECBINFHSA-N 1 1 177.251 1.094 10 30 ADEEMO C=C[C@@H](O)Cn1c[nH+]c(C)c1C 307364920 572466730 /nfs/dbraw/zinc/46/67/30/572466730.db2.gz KUBMUMWCFYUMKI-SECBINFHSA-N 1 1 166.224 1.047 10 30 ADEEMO C[N@@H+](CCS)CCOCC1CC1 87400404 572467389 /nfs/dbraw/zinc/46/73/89/572467389.db2.gz LKTWMMJILRPYBY-UHFFFAOYSA-N 1 1 189.324 1.275 10 30 ADEEMO C=CCC[N@H+]1C[C@@H](C)[C@@H](C(=O)OC)C1 87400414 572467536 /nfs/dbraw/zinc/46/75/36/572467536.db2.gz SRCCGQODNSPRNJ-ZJUUUORDSA-N 1 1 197.278 1.303 10 30 ADEEMO C=C1CN2CCCC[C@@H]2C[N@@H+]1C 307327932 572468251 /nfs/dbraw/zinc/46/82/51/572468251.db2.gz JUHIRNOQDNRITK-SNVBAGLBSA-N 1 1 166.268 1.300 10 30 ADEEMO C=C1C[N@H+]2CCCC[C@@H]2CN1C 307327932 572468252 /nfs/dbraw/zinc/46/82/52/572468252.db2.gz JUHIRNOQDNRITK-SNVBAGLBSA-N 1 1 166.268 1.300 10 30 ADEEMO C=C1C[N@@H+]2CCCC[C@@H]2CN1C 307327932 572468256 /nfs/dbraw/zinc/46/82/56/572468256.db2.gz JUHIRNOQDNRITK-SNVBAGLBSA-N 1 1 166.268 1.300 10 30 ADEEMO CCC[N@@H+](CC[C@@H]1CO1)C1CC1 308035991 572468776 /nfs/dbraw/zinc/46/87/76/572468776.db2.gz KQEMKBNUOBDPRO-SNVBAGLBSA-N 1 1 169.268 1.650 10 30 ADEEMO C=C1CN2CCCC[C@H]2C[N@@H+]1C 307327931 572468975 /nfs/dbraw/zinc/46/89/75/572468975.db2.gz JUHIRNOQDNRITK-JTQLQIEISA-N 1 1 166.268 1.300 10 30 ADEEMO C=C1C[N@H+]2CCCC[C@H]2CN1C 307327931 572468979 /nfs/dbraw/zinc/46/89/79/572468979.db2.gz JUHIRNOQDNRITK-JTQLQIEISA-N 1 1 166.268 1.300 10 30 ADEEMO C=C1C[N@@H+]2CCCC[C@H]2CN1C 307327931 572468981 /nfs/dbraw/zinc/46/89/81/572468981.db2.gz JUHIRNOQDNRITK-JTQLQIEISA-N 1 1 166.268 1.300 10 30 ADEEMO C=C[C@H](C)[N@@H+]1C[C@H](C)[C@@H](C(=O)OC)C1 87400411 572469071 /nfs/dbraw/zinc/46/90/71/572469071.db2.gz LGDPJGFMKCGJHH-GUBZILKMSA-N 1 1 197.278 1.302 10 30 ADEEMO C=C[C@H](C)[N@@H+]1C[C@@H](C)[C@@H](C(=O)OC)C1 87400410 572469205 /nfs/dbraw/zinc/46/92/05/572469205.db2.gz LGDPJGFMKCGJHH-UTLUCORTSA-N 1 1 197.278 1.302 10 30 ADEEMO C=C(C)C[N@H+]1C[C@@H](C)[C@@H](C(=O)OC)C1 87400424 572469406 /nfs/dbraw/zinc/46/94/06/572469406.db2.gz OPZFQARLXQRZQP-ZJUUUORDSA-N 1 1 197.278 1.303 10 30 ADEEMO C=C(C)C[N@H+]1C[C@H](C)[C@@H](C(=O)OC)C1 87400425 572469796 /nfs/dbraw/zinc/46/97/96/572469796.db2.gz OPZFQARLXQRZQP-UWVGGRQHSA-N 1 1 197.278 1.303 10 30 ADEEMO C=CCC[N@H+]1C[C@H](C)[C@@H](C(=O)OC)C1 87400415 572469913 /nfs/dbraw/zinc/46/99/13/572469913.db2.gz SRCCGQODNSPRNJ-UWVGGRQHSA-N 1 1 197.278 1.303 10 30 ADEEMO C[N@H+]1CCC[C@@H]([C@H](C#N)C2CC2)C1 250554842 572470179 /nfs/dbraw/zinc/47/01/79/572470179.db2.gz AWPFXUTYGJOWJB-GHMZBOCLSA-N 1 1 178.279 1.878 10 30 ADEEMO C#CCC[N@H+](CC)[C@@H]1CCOC1 308038868 572470470 /nfs/dbraw/zinc/47/04/70/572470470.db2.gz MEZCSNGZNUAIJB-SNVBAGLBSA-N 1 1 167.252 1.121 10 30 ADEEMO COCC#CC[N@H+]1CCC[C@H]2C[C@H]21 307351588 572470706 /nfs/dbraw/zinc/47/07/06/572470706.db2.gz BNMSXGGPWLMTJC-WDEREUQCSA-N 1 1 179.263 1.121 10 30 ADEEMO C=CC[N@H+](C)C[C@@H]1C[C@@H]1C 307335658 572470971 /nfs/dbraw/zinc/47/09/71/572470971.db2.gz GUZNWQRKXRPPKQ-IUCAKERBSA-N 1 1 139.242 1.760 10 30 ADEEMO C#CCC[N@H+](CC)[C@H]1CCOC1 308038867 572471436 /nfs/dbraw/zinc/47/14/36/572471436.db2.gz MEZCSNGZNUAIJB-JTQLQIEISA-N 1 1 167.252 1.121 10 30 ADEEMO C[C@@H](CC#N)N1CCC[N@@H+](C)C[C@@H]1C 235070218 572471648 /nfs/dbraw/zinc/47/16/48/572471648.db2.gz WTHWMVJQJBLZTM-QWRGUYRKSA-N 1 1 195.310 1.315 10 30 ADEEMO C[N@H+]1CCC[C@H]([C@H](C#N)C2CC2)C1 250554845 572471893 /nfs/dbraw/zinc/47/18/93/572471893.db2.gz AWPFXUTYGJOWJB-WDEREUQCSA-N 1 1 178.279 1.878 10 30 ADEEMO C=C[C@H](C)[NH2+][C@H]1CC[C@H](C)NC1 307394428 572471985 /nfs/dbraw/zinc/47/19/85/572471985.db2.gz NNSMACGJKUSGNC-GUBZILKMSA-N 1 1 168.284 1.291 10 30 ADEEMO C#CC[N@@H+](C)Cc1ccc(F)cn1 307350933 572475089 /nfs/dbraw/zinc/47/50/89/572475089.db2.gz AWFUFUZWRHSYHM-UHFFFAOYSA-N 1 1 178.210 1.286 10 30 ADEEMO C#CC[N@H+](C)Cc1ccc(F)cn1 307350933 572475091 /nfs/dbraw/zinc/47/50/91/572475091.db2.gz AWFUFUZWRHSYHM-UHFFFAOYSA-N 1 1 178.210 1.286 10 30 ADEEMO C#C[C@H](NC[C@@H]1CCC[NH2+]C1)C(C)C 300904586 572473459 /nfs/dbraw/zinc/47/34/59/572473459.db2.gz LGINQBALWYCNAP-NEPJUHHUSA-N 1 1 194.322 1.233 10 30 ADEEMO CC[C@H](C=O)[NH2+][C@H]1CCCCC1=O 238260571 572474040 /nfs/dbraw/zinc/47/40/40/572474040.db2.gz CEIRCANRMAZTKS-BDAKNGLRSA-N 1 1 183.251 1.065 10 30 ADEEMO C=CC[NH2+]Cc1ncnn1CC(C)C 83977226 572474920 /nfs/dbraw/zinc/47/49/20/572474920.db2.gz RXNQRMPDKBSAHV-UHFFFAOYSA-N 1 1 194.282 1.210 10 30 ADEEMO CC#CCC[C@@H]([NH2+]C)C(F)F 234452021 572475489 /nfs/dbraw/zinc/47/54/89/572475489.db2.gz XIUMNRDPTRRIHW-SSDOTTSWSA-N 1 1 161.195 1.643 10 30 ADEEMO C=C[C@H](C)[NH2+][C@@H]1CC[C@@H](C)NC1 307394429 572475560 /nfs/dbraw/zinc/47/55/60/572475560.db2.gz NNSMACGJKUSGNC-IVZWLZJFSA-N 1 1 168.284 1.291 10 30 ADEEMO C=C(C)[C@H]([NH3+])CN1CCCCC1 307348338 572475600 /nfs/dbraw/zinc/47/56/00/572475600.db2.gz CSDWWKRLYAIAKE-SNVBAGLBSA-N 1 1 168.284 1.376 10 30 ADEEMO C#CC(C)(C)[N@@H+](CC)[C@H](C)CO 238261389 572475743 /nfs/dbraw/zinc/47/57/43/572475743.db2.gz PMQWJCGHGNVXRD-SECBINFHSA-N 1 1 169.268 1.101 10 30 ADEEMO CC/C(=[NH+]\C)SC 34245594 572476326 /nfs/dbraw/zinc/47/63/26/572476326.db2.gz ABIVSBBDLQQKGU-AATRIKPKSA-N 1 1 117.217 1.788 10 30 ADEEMO C=C(C)[C@@H]([NH3+])CN1CCCCC1 307348337 572477775 /nfs/dbraw/zinc/47/77/75/572477775.db2.gz CSDWWKRLYAIAKE-JTQLQIEISA-N 1 1 168.284 1.376 10 30 ADEEMO CCN1[C@H](C)CC[N@@H+](C)C[C@H]1CC#N 250352104 572479921 /nfs/dbraw/zinc/47/99/21/572479921.db2.gz RMPPBOBLJNYRAD-GHMZBOCLSA-N 1 1 195.310 1.315 10 30 ADEEMO C=CC[N@H+](C)[C@H](C)CC 141443209 572480123 /nfs/dbraw/zinc/48/01/23/572480123.db2.gz GVGOUIWXTYDWMP-MRVPVSSYSA-N 1 1 127.231 1.903 10 30 ADEEMO C=CC[N@H+](C)[C@@H](C)CC 141443393 572480297 /nfs/dbraw/zinc/48/02/97/572480297.db2.gz GVGOUIWXTYDWMP-QMMMGPOBSA-N 1 1 127.231 1.903 10 30 ADEEMO Cc1cc(C)nc([NH+]=CN(C)C)n1 379418815 572480738 /nfs/dbraw/zinc/48/07/38/572480738.db2.gz WUKGPGSOFVJVNR-UHFFFAOYSA-N 1 1 178.239 1.315 10 30 ADEEMO C[N@H+]1CCC[C@]2(CC1)C[C@H]2CC=O 250579392 572481231 /nfs/dbraw/zinc/48/12/31/572481231.db2.gz FVDBFBFVXVFMFM-MNOVXSKESA-N 1 1 181.279 1.697 10 30 ADEEMO C#CC(C)(C)[N@@H+](C)[C@H]1CCC[C@H]1O 307337441 572481546 /nfs/dbraw/zinc/48/15/46/572481546.db2.gz SYVUQDBQJZMPGA-VHSXEESVSA-N 1 1 181.279 1.243 10 30 ADEEMO C[N@H+]1CCC[C@@]2(CC1)C[C@H]2CC=O 250579389 572482110 /nfs/dbraw/zinc/48/21/10/572482110.db2.gz FVDBFBFVXVFMFM-GHMZBOCLSA-N 1 1 181.279 1.697 10 30 ADEEMO C[N@H+]1CCCN(C2CC2)[C@@H](CC#N)C1 250563079 572482137 /nfs/dbraw/zinc/48/21/37/572482137.db2.gz CVBJOJUVWOPXPD-NSHDSACASA-N 1 1 193.294 1.069 10 30 ADEEMO CC[C@@H](CCCCO)[N@@H+](C)CCC#N 238261704 572482707 /nfs/dbraw/zinc/48/27/07/572482707.db2.gz DEIYUKLYJOIOEN-NSHDSACASA-N 1 1 198.310 1.773 10 30 ADEEMO C#CCOc1c(C)c[nH+]cc1C 307346841 572482918 /nfs/dbraw/zinc/48/29/18/572482918.db2.gz PKCRYZILAWISKU-UHFFFAOYSA-N 1 1 161.204 1.710 10 30 ADEEMO C=C1CCC[N@H+](C2CCOCC2)C1 307322481 572483672 /nfs/dbraw/zinc/48/36/72/572483672.db2.gz ZGSPSMIQJGDYAJ-UHFFFAOYSA-N 1 1 181.279 1.817 10 30 ADEEMO C#C[C@@H](CC)N1CC[C@@H]([NH3+])C(C)(C)C1 307465967 572488151 /nfs/dbraw/zinc/48/81/51/572488151.db2.gz JIEQQEURVKWOSC-WDEREUQCSA-N 1 1 194.322 1.457 10 30 ADEEMO C=CCNCC[N@@H+]1C[C@@H](C)CC[C@H]1C 84054423 572485909 /nfs/dbraw/zinc/48/59/09/572485909.db2.gz DHRRFSHIXYSEOD-NWDGAFQWSA-N 1 1 196.338 1.882 10 30 ADEEMO C=CCNCC[N@H+]1C[C@@H](C)CC[C@H]1C 84054423 572485918 /nfs/dbraw/zinc/48/59/18/572485918.db2.gz DHRRFSHIXYSEOD-NWDGAFQWSA-N 1 1 196.338 1.882 10 30 ADEEMO C#CCNCC[N@H+]1C[C@@H](C)CC[C@@H]1C 84054429 572486025 /nfs/dbraw/zinc/48/60/25/572486025.db2.gz JOAHFDRTEKLUOB-RYUDHWBXSA-N 1 1 194.322 1.330 10 30 ADEEMO C#CC[NH2+]CCN1C[C@@H](C)CC[C@@H]1C 84054429 572486035 /nfs/dbraw/zinc/48/60/35/572486035.db2.gz JOAHFDRTEKLUOB-RYUDHWBXSA-N 1 1 194.322 1.330 10 30 ADEEMO C#CC[NH2+]CCN1C[C@H](C)CC[C@@H]1C 84054426 572486219 /nfs/dbraw/zinc/48/62/19/572486219.db2.gz JOAHFDRTEKLUOB-NEPJUHHUSA-N 1 1 194.322 1.330 10 30 ADEEMO C#CCNCC[N@H+]1C[C@H](C)CC[C@@H]1C 84054426 572486209 /nfs/dbraw/zinc/48/62/09/572486209.db2.gz JOAHFDRTEKLUOB-NEPJUHHUSA-N 1 1 194.322 1.330 10 30 ADEEMO C#CCNCC[N@H+]1C[C@H](C)CC[C@H]1C 84054432 572486689 /nfs/dbraw/zinc/48/66/89/572486689.db2.gz JOAHFDRTEKLUOB-VXGBXAGGSA-N 1 1 194.322 1.330 10 30 ADEEMO C#CC[NH2+]CCN1C[C@H](C)CC[C@H]1C 84054432 572486694 /nfs/dbraw/zinc/48/66/94/572486694.db2.gz JOAHFDRTEKLUOB-VXGBXAGGSA-N 1 1 194.322 1.330 10 30 ADEEMO CC#CCN[C@H]1C[N@H+](C(C)C)C[C@@H]1C 307404514 572486761 /nfs/dbraw/zinc/48/67/61/572486761.db2.gz CQBGPAYLKLQYIS-RYUDHWBXSA-N 1 1 194.322 1.328 10 30 ADEEMO CC#CC[NH2+][C@H]1CN(C(C)C)C[C@@H]1C 307404514 572486763 /nfs/dbraw/zinc/48/67/63/572486763.db2.gz CQBGPAYLKLQYIS-RYUDHWBXSA-N 1 1 194.322 1.328 10 30 ADEEMO C#C[C@H](C(C)C)[N@@H+]1CCC(=O)C[C@H]1C 300938190 572486812 /nfs/dbraw/zinc/48/68/12/572486812.db2.gz OKXXUYPAWTXDMD-ZYHUDNBSSA-N 1 1 193.290 1.698 10 30 ADEEMO C#C[C@H](C(C)C)[N@H+]1CCC(=O)C[C@H]1C 300938190 572486816 /nfs/dbraw/zinc/48/68/16/572486816.db2.gz OKXXUYPAWTXDMD-ZYHUDNBSSA-N 1 1 193.290 1.698 10 30 ADEEMO C#C[C@H](C(C)C)[N@@H+]1CCC(=O)C[C@@H]1C 300938183 572488392 /nfs/dbraw/zinc/48/83/92/572488392.db2.gz OKXXUYPAWTXDMD-CMPLNLGQSA-N 1 1 193.290 1.698 10 30 ADEEMO C#C[C@H](C(C)C)[N@H+]1CCC(=O)C[C@@H]1C 300938183 572488397 /nfs/dbraw/zinc/48/83/97/572488397.db2.gz OKXXUYPAWTXDMD-CMPLNLGQSA-N 1 1 193.290 1.698 10 30 ADEEMO C=CCN1CCC[N@H+](C)C[C@@H]1CC#N 250631477 572490385 /nfs/dbraw/zinc/49/03/85/572490385.db2.gz RGSQZFBMOWJOOT-NSHDSACASA-N 1 1 193.294 1.092 10 30 ADEEMO C[N@H+](CC=O)C[C@@]1(C)CC1(F)F 689649233 572491753 /nfs/dbraw/zinc/49/17/53/572491753.db2.gz ZGRXCPBIKGPZTI-SSDOTTSWSA-N 1 1 177.194 1.162 10 30 ADEEMO C[N@@H+](CC=O)C[C@@]1(C)CC1(F)F 689649233 572491756 /nfs/dbraw/zinc/49/17/56/572491756.db2.gz ZGRXCPBIKGPZTI-SSDOTTSWSA-N 1 1 177.194 1.162 10 30 ADEEMO C[N@H+](CC=O)C[C@]1(C)CC1(F)F 689649241 572492554 /nfs/dbraw/zinc/49/25/54/572492554.db2.gz ZGRXCPBIKGPZTI-ZETCQYMHSA-N 1 1 177.194 1.162 10 30 ADEEMO C[N@@H+](CC=O)C[C@]1(C)CC1(F)F 689649241 572492559 /nfs/dbraw/zinc/49/25/59/572492559.db2.gz ZGRXCPBIKGPZTI-ZETCQYMHSA-N 1 1 177.194 1.162 10 30 ADEEMO CCC[N@@H+](CC)CCC=O 62538599 572499974 /nfs/dbraw/zinc/49/99/74/572499974.db2.gz DXSZUMHRMFNHDP-UHFFFAOYSA-N 1 1 143.230 1.307 10 30 ADEEMO C=C(CN)C[N@H+]1C[C@@H](C)CC1(C)C 307459596 572492743 /nfs/dbraw/zinc/49/27/43/572492743.db2.gz CIHGDJVABHTFAC-VIFPVBQESA-N 1 1 182.311 1.622 10 30 ADEEMO C=C(CN)C[N@@H+]1C[C@@H](C)CC1(C)C 307459596 572492745 /nfs/dbraw/zinc/49/27/45/572492745.db2.gz CIHGDJVABHTFAC-VIFPVBQESA-N 1 1 182.311 1.622 10 30 ADEEMO C#CC(C)(C)[N@@H+](CC)C[C@@H](C)O 238268778 572493121 /nfs/dbraw/zinc/49/31/21/572493121.db2.gz XOIKPNPDHJQYCL-SECBINFHSA-N 1 1 169.268 1.101 10 30 ADEEMO C[N@@H+]1CCc2c(C#N)csc2C1 156712196 572493624 /nfs/dbraw/zinc/49/36/24/572493624.db2.gz FUWHIRPSFQZSRN-UHFFFAOYSA-N 1 1 178.260 1.608 10 30 ADEEMO C[N@H+]1CCc2c(C#N)csc2C1 156712196 572493630 /nfs/dbraw/zinc/49/36/30/572493630.db2.gz FUWHIRPSFQZSRN-UHFFFAOYSA-N 1 1 178.260 1.608 10 30 ADEEMO CC(C)CN1CC[N@H+](C)C[C@H]1CC#N 250605221 572493636 /nfs/dbraw/zinc/49/36/36/572493636.db2.gz VQHFEPVRDMOZEY-LLVKDONJSA-N 1 1 195.310 1.172 10 30 ADEEMO CC(C)CN1CC[N@@H+](C)C[C@H]1CC#N 250605221 572493639 /nfs/dbraw/zinc/49/36/39/572493639.db2.gz VQHFEPVRDMOZEY-LLVKDONJSA-N 1 1 195.310 1.172 10 30 ADEEMO C#CC[C@@H]([NH3+])c1nnc(CCCC)o1 238268960 572493836 /nfs/dbraw/zinc/49/38/36/572493836.db2.gz CRXPJNSBSHDRNP-MRVPVSSYSA-N 1 1 193.250 1.435 10 30 ADEEMO C=CC[C@@H]([NH3+])c1nnc(CCCC)o1 238268978 572493905 /nfs/dbraw/zinc/49/39/05/572493905.db2.gz DJGDIOOSOWYMGE-MRVPVSSYSA-N 1 1 195.266 1.988 10 30 ADEEMO CCC[N@@H+](CC)CC[C@H](C#N)NC 62434451 572496071 /nfs/dbraw/zinc/49/60/71/572496071.db2.gz PZSHCQHZPDXKKR-SNVBAGLBSA-N 1 1 183.299 1.220 10 30 ADEEMO CC[C@@H](C)[C@@H]([NH3+])c1nnc(CC#N)o1 238268993 572494349 /nfs/dbraw/zinc/49/43/49/572494349.db2.gz FLMABSXFOZNYJL-HTRCEHHLSA-N 1 1 194.238 1.182 10 30 ADEEMO C[N@@H+](CC[C@H](N)C#N)C1CCCC1 62434268 572495504 /nfs/dbraw/zinc/49/55/04/572495504.db2.gz ZVEKNYLWZDRFNU-VIFPVBQESA-N 1 1 181.283 1.102 10 30 ADEEMO CC[C@@H]1CCC[N@@H+](CC[C@H](N)C#N)C1 62435016 572496161 /nfs/dbraw/zinc/49/61/61/572496161.db2.gz RFAMNGORXZNNBY-MNOVXSKESA-N 1 1 195.310 1.349 10 30 ADEEMO C#CCNCC[N@@H+]1CCC[C@H]1C(C)C 84127948 572496884 /nfs/dbraw/zinc/49/68/84/572496884.db2.gz RTRLVUKESJFMFO-LBPRGKRZSA-N 1 1 194.322 1.330 10 30 ADEEMO C=CCNCC[N@@H+]1CCC[C@@H]1C(C)C 84127907 572497034 /nfs/dbraw/zinc/49/70/34/572497034.db2.gz CWSYJSPCWXCBMO-GFCCVEGCSA-N 1 1 196.338 1.882 10 30 ADEEMO C=CC[NH2+]CCN1CCC[C@@H]1C(C)C 84127907 572497036 /nfs/dbraw/zinc/49/70/36/572497036.db2.gz CWSYJSPCWXCBMO-GFCCVEGCSA-N 1 1 196.338 1.882 10 30 ADEEMO CC[N@@H+](CC[C@@H](C#N)NC)C(C)C 62434179 572497062 /nfs/dbraw/zinc/49/70/62/572497062.db2.gz XFVSNDOCDCKONT-JTQLQIEISA-N 1 1 183.299 1.218 10 30 ADEEMO F[C@@H]1CCC[N@@H+](CCC[C@@H]2CO2)C1 689457260 572497083 /nfs/dbraw/zinc/49/70/83/572497083.db2.gz WKPFQNVOCRLBJL-NXEZZACHSA-N 1 1 187.258 1.599 10 30 ADEEMO C#CCNCC[N@@H+]1CCC[C@@H]1C(C)C 84127950 572497171 /nfs/dbraw/zinc/49/71/71/572497171.db2.gz RTRLVUKESJFMFO-GFCCVEGCSA-N 1 1 194.322 1.330 10 30 ADEEMO CC(C)[C@@H](C)[N@@H+](C)CC[C@H](N)C#N 62434862 572497365 /nfs/dbraw/zinc/49/73/65/572497365.db2.gz DQVUJHOIKNJFBA-ZJUUUORDSA-N 1 1 183.299 1.204 10 30 ADEEMO C=CC[C@H]1C[N@H+](C)C[C@H](C)C1=O 307377342 572498135 /nfs/dbraw/zinc/49/81/35/572498135.db2.gz WWDBFGVFWUXBEJ-IUCAKERBSA-N 1 1 167.252 1.329 10 30 ADEEMO F[C@@H]1CCC[N@@H+](CCC[C@H]2CO2)C1 689457266 572497756 /nfs/dbraw/zinc/49/77/56/572497756.db2.gz WKPFQNVOCRLBJL-ZJUUUORDSA-N 1 1 187.258 1.599 10 30 ADEEMO C[N@@H+](CC[C@H](N)C#N)CC(C)(C)C 62437420 572497791 /nfs/dbraw/zinc/49/77/91/572497791.db2.gz RWYFCCLWJFGGQD-VIFPVBQESA-N 1 1 183.299 1.205 10 30 ADEEMO CCN1C[C@H](C)C[N@@H+](C)C[C@H]1CC#N 250356493 572498238 /nfs/dbraw/zinc/49/82/38/572498238.db2.gz SIIFNMARAOWZDA-GHMZBOCLSA-N 1 1 195.310 1.172 10 30 ADEEMO F[C@H]1CCC[N@@H+](CCC[C@@H]2CO2)C1 689457264 572498359 /nfs/dbraw/zinc/49/83/59/572498359.db2.gz WKPFQNVOCRLBJL-VHSXEESVSA-N 1 1 187.258 1.599 10 30 ADEEMO CC(C)CC[N@@H+](C)CC[C@@H](N)C#N 62437797 572498711 /nfs/dbraw/zinc/49/87/11/572498711.db2.gz PARHLRDFURCFPJ-SNVBAGLBSA-N 1 1 183.299 1.205 10 30 ADEEMO CC(C)[C@@H]1CCC[N@H+]1CC[C@H](N)C#N 84127346 572498749 /nfs/dbraw/zinc/49/87/49/572498749.db2.gz ZAGDDYPLDBKTRC-QWRGUYRKSA-N 1 1 195.310 1.348 10 30 ADEEMO C=CCNCC[N@@H+]1CCC[C@H]1C(C)C 84127905 572498757 /nfs/dbraw/zinc/49/87/57/572498757.db2.gz CWSYJSPCWXCBMO-LBPRGKRZSA-N 1 1 196.338 1.882 10 30 ADEEMO C=CC[NH2+]CCN1CCC[C@H]1C(C)C 84127905 572498762 /nfs/dbraw/zinc/49/87/62/572498762.db2.gz CWSYJSPCWXCBMO-LBPRGKRZSA-N 1 1 196.338 1.882 10 30 ADEEMO C=CCOC(=O)[C@H]([NH2+]C)[C@H](C)CC 238271338 572498793 /nfs/dbraw/zinc/49/87/93/572498793.db2.gz AYPMWYGVZNVKOF-RKDXNWHRSA-N 1 1 185.267 1.350 10 30 ADEEMO C=CCOC(=O)[C@@H]([NH2+]C)[C@@H](C)CC 238271201 572498943 /nfs/dbraw/zinc/49/89/43/572498943.db2.gz AYPMWYGVZNVKOF-IUCAKERBSA-N 1 1 185.267 1.350 10 30 ADEEMO CCC[N@@H+](CC[C@@H](N)C#N)C(C)C 62434359 572499034 /nfs/dbraw/zinc/49/90/34/572499034.db2.gz JIFJRRVQDKSNMY-SNVBAGLBSA-N 1 1 183.299 1.348 10 30 ADEEMO C=C(C)C[N@H+]1[C@H]2CC[C@@H]1CCNC2 307433542 572499340 /nfs/dbraw/zinc/49/93/40/572499340.db2.gz ZZCCJDIIVBQIMF-MNOVXSKESA-N 1 1 180.295 1.389 10 30 ADEEMO C=C(C)C[N@@H+]1[C@H]2CC[C@@H]1CCNC2 307433542 572499346 /nfs/dbraw/zinc/49/93/46/572499346.db2.gz ZZCCJDIIVBQIMF-MNOVXSKESA-N 1 1 180.295 1.389 10 30 ADEEMO C=C(C)CN1[C@H]2CC[C@@H]1CC[NH2+]C2 307433542 572499348 /nfs/dbraw/zinc/49/93/48/572499348.db2.gz ZZCCJDIIVBQIMF-MNOVXSKESA-N 1 1 180.295 1.389 10 30 ADEEMO C[N@@H+](CCC=O)[C@@H]1CCSC1 62540530 572501514 /nfs/dbraw/zinc/50/15/14/572501514.db2.gz UTAQNCFYVYSKCB-MRVPVSSYSA-N 1 1 173.281 1.013 10 30 ADEEMO CN[C@H](C#N)C[N@@H+]1CCC[C@H]1C(C)C 84127334 572499639 /nfs/dbraw/zinc/49/96/39/572499639.db2.gz YJLLHTZTNBODPR-MNOVXSKESA-N 1 1 195.310 1.218 10 30 ADEEMO CN[C@H](C#N)C[N@H+]1CCC[C@H]1C(C)C 84127334 572499643 /nfs/dbraw/zinc/49/96/43/572499643.db2.gz YJLLHTZTNBODPR-MNOVXSKESA-N 1 1 195.310 1.218 10 30 ADEEMO C=C[C@H](O)Cn1c[nH+]c(C)c1C 307364926 572499734 /nfs/dbraw/zinc/49/97/34/572499734.db2.gz KUBMUMWCFYUMKI-VIFPVBQESA-N 1 1 166.224 1.047 10 30 ADEEMO CC[C@@H](C)[N@@H+](C)CCC=O 62538706 572500449 /nfs/dbraw/zinc/50/04/49/572500449.db2.gz VGUOANJOCKTPGR-MRVPVSSYSA-N 1 1 143.230 1.306 10 30 ADEEMO CCN1C[C@@H](C)C[N@@H+](C)C[C@H]1CC#N 250356494 572499861 /nfs/dbraw/zinc/49/98/61/572499861.db2.gz SIIFNMARAOWZDA-WDEREUQCSA-N 1 1 195.310 1.172 10 30 ADEEMO CCc1[nH+]ccn1CCC=O 62542226 572501630 /nfs/dbraw/zinc/50/16/30/572501630.db2.gz FKPGNITUWPXFMR-UHFFFAOYSA-N 1 1 152.197 1.035 10 30 ADEEMO CC[C@@H]1CCC[N@H+]1CCC=O 62539053 572499923 /nfs/dbraw/zinc/49/99/23/572499923.db2.gz MQYRVHMZMQUKFA-SECBINFHSA-N 1 1 155.241 1.450 10 30 ADEEMO CC[N@@H+](CCC=O)C(C)C 62538552 572502329 /nfs/dbraw/zinc/50/23/29/572502329.db2.gz KERNUAFMALRTCK-UHFFFAOYSA-N 1 1 143.230 1.306 10 30 ADEEMO CC[C@H](C)C[N@@H+](C)CCC=O 62538745 572500148 /nfs/dbraw/zinc/50/01/48/572500148.db2.gz RWYAGINCAZJDOW-VIFPVBQESA-N 1 1 157.257 1.553 10 30 ADEEMO F[C@H]1CCC[N@@H+](CCC[C@H]2CO2)C1 689457262 572500256 /nfs/dbraw/zinc/50/02/56/572500256.db2.gz WKPFQNVOCRLBJL-UWVGGRQHSA-N 1 1 187.258 1.599 10 30 ADEEMO C[C@@H]1CCC[N@@H+](CCC=O)[C@@H]1C 62541879 572500513 /nfs/dbraw/zinc/50/05/13/572500513.db2.gz NAEKRUIQFDIRSG-NXEZZACHSA-N 1 1 169.268 1.696 10 30 ADEEMO CCCC[N@@H+](C)CCC=O 62537516 572500525 /nfs/dbraw/zinc/50/05/25/572500525.db2.gz KOBCMPOHXVKEFV-UHFFFAOYSA-N 1 1 143.230 1.307 10 30 ADEEMO O=CCC[N@H+]1CCO[C@H]2CCCC[C@@H]21 62539981 572500597 /nfs/dbraw/zinc/50/05/97/572500597.db2.gz HDTVKFIMGYJVKF-QWRGUYRKSA-N 1 1 197.278 1.219 10 30 ADEEMO C[N@H+](CCC=O)Cc1ccoc1 62541279 572500622 /nfs/dbraw/zinc/50/06/22/572500622.db2.gz LSEBUCOWOJEYPV-UHFFFAOYSA-N 1 1 167.208 1.300 10 30 ADEEMO C[N@@H+](CCC=O)Cc1ccoc1 62541279 572500624 /nfs/dbraw/zinc/50/06/24/572500624.db2.gz LSEBUCOWOJEYPV-UHFFFAOYSA-N 1 1 167.208 1.300 10 30 ADEEMO C[C@H]1CCC[N@@H+](CCC=O)[C@@H]1C 62541880 572500673 /nfs/dbraw/zinc/50/06/73/572500673.db2.gz NAEKRUIQFDIRSG-VHSXEESVSA-N 1 1 169.268 1.696 10 30 ADEEMO CC(C)[C@H]1CCC[N@H+]1CC[C@H](N)C#N 84127348 572500683 /nfs/dbraw/zinc/50/06/83/572500683.db2.gz ZAGDDYPLDBKTRC-WDEREUQCSA-N 1 1 195.310 1.348 10 30 ADEEMO CC/N=C/C(C)(C)C[NH2+]CC 238272752 572500750 /nfs/dbraw/zinc/50/07/50/572500750.db2.gz QPVPPKUEHYJJFU-JXMROGBWSA-N 1 1 156.273 1.713 10 30 ADEEMO C[C@H]1CCC[C@@H](C)[N@H+]1CCC=O 62538342 572502985 /nfs/dbraw/zinc/50/29/85/572502985.db2.gz XTAJGDQFVXWYIN-AOOOYVTPSA-N 1 1 169.268 1.838 10 30 ADEEMO O=CCC[N@H+]1CCO[C@@H]2CCCC[C@@H]21 62539979 572501058 /nfs/dbraw/zinc/50/10/58/572501058.db2.gz HDTVKFIMGYJVKF-WDEREUQCSA-N 1 1 197.278 1.219 10 30 ADEEMO C#CC[N@@H+]1CC[C@@H](C(F)F)C1 307412344 572501218 /nfs/dbraw/zinc/50/12/18/572501218.db2.gz QVYDGIOJHMIQDJ-SSDOTTSWSA-N 1 1 159.179 1.207 10 30 ADEEMO C=CC[C@@H](C)[C@H](C)[N@@H+](C)CCO 308044556 572501363 /nfs/dbraw/zinc/50/13/63/572501363.db2.gz OTAJYADZRAIYDT-ZJUUUORDSA-N 1 1 171.284 1.511 10 30 ADEEMO CC[C@H](C)[N@@H+](C)CCC=O 62538707 572501382 /nfs/dbraw/zinc/50/13/82/572501382.db2.gz VGUOANJOCKTPGR-QMMMGPOBSA-N 1 1 143.230 1.306 10 30 ADEEMO CCC[C@@H](C)[N@@H+](C)[C@@H](C)C=NO 714464787 572501386 /nfs/dbraw/zinc/50/13/86/572501386.db2.gz BBGOMHXWURNDNE-BDAKNGLRSA-N 1 1 172.272 1.955 10 30 ADEEMO CCC[N@@H+](CCC=O)CC1CC1 62539373 572501410 /nfs/dbraw/zinc/50/14/10/572501410.db2.gz CPILJBOCSQRSOS-UHFFFAOYSA-N 1 1 169.268 1.697 10 30 ADEEMO CC(C)[C@H]1CCC[N@H+]1CC/C(N)=N/O 84126741 572501516 /nfs/dbraw/zinc/50/15/16/572501516.db2.gz VPWDMNBYVUBVJX-SECBINFHSA-N 1 1 199.298 1.243 10 30 ADEEMO C[C@H]1C[C@@H](C)C[N@@H+](CCC=O)C1 62537928 572501530 /nfs/dbraw/zinc/50/15/30/572501530.db2.gz ALLJVMMACNITOM-AOOOYVTPSA-N 1 1 169.268 1.553 10 30 ADEEMO C=C[C@@H](C)[N@@H+](C)[C@@H]1CCC[C@H]1O 307497166 572501553 /nfs/dbraw/zinc/50/15/53/572501553.db2.gz GEHXWLKOGNFTFG-OPRDCNLKSA-N 1 1 169.268 1.406 10 30 ADEEMO CC[C@H]1CCC[N@H+]1CCC=O 62539056 572501567 /nfs/dbraw/zinc/50/15/67/572501567.db2.gz MQYRVHMZMQUKFA-VIFPVBQESA-N 1 1 155.241 1.450 10 30 ADEEMO CCC[C@H](C)[N@@H+](C)[C@H](C)C=NO 714464788 572501624 /nfs/dbraw/zinc/50/16/24/572501624.db2.gz BBGOMHXWURNDNE-DTWKUNHWSA-N 1 1 172.272 1.955 10 30 ADEEMO CC(C)C[N@@H+](C)CCC=O 62538685 572501639 /nfs/dbraw/zinc/50/16/39/572501639.db2.gz QTTGPNLFENNLMB-UHFFFAOYSA-N 1 1 143.230 1.163 10 30 ADEEMO C[C@H](CC#N)[N@@H+](C)CC[C@@H]1CO1 308042339 572501648 /nfs/dbraw/zinc/50/16/48/572501648.db2.gz NWHZLWMTGZHTLH-RKDXNWHRSA-N 1 1 168.240 1.009 10 30 ADEEMO C#C[C@@]1(O)CC[N@H+](CCC(C)C)C1 307403850 572501659 /nfs/dbraw/zinc/50/16/59/572501659.db2.gz AWENZRPIKPRHCF-LLVKDONJSA-N 1 1 181.279 1.103 10 30 ADEEMO O=CCC[N@H+]1CCO[C@@H]2CCCC[C@H]21 62539974 572501674 /nfs/dbraw/zinc/50/16/74/572501674.db2.gz HDTVKFIMGYJVKF-GHMZBOCLSA-N 1 1 197.278 1.219 10 30 ADEEMO CC#CCC[NH2+][C@@H]1CCCN[C@H]1C 307487014 572501676 /nfs/dbraw/zinc/50/16/76/572501676.db2.gz BZWPMHWGPPHIDK-WDEREUQCSA-N 1 1 180.295 1.130 10 30 ADEEMO C[N@@H+](CCC=O)CC1CCC1 62541999 572501705 /nfs/dbraw/zinc/50/17/05/572501705.db2.gz QSZQLFABNBEOAL-UHFFFAOYSA-N 1 1 155.241 1.307 10 30 ADEEMO C[C@H](CC#N)[N@@H+](C)CC[C@H]1CO1 308042336 572501730 /nfs/dbraw/zinc/50/17/30/572501730.db2.gz NWHZLWMTGZHTLH-BDAKNGLRSA-N 1 1 168.240 1.009 10 30 ADEEMO CCC(CC)[N@@H+](C)CCC=O 62538889 572501731 /nfs/dbraw/zinc/50/17/31/572501731.db2.gz IBQWRUGKKJIIMC-UHFFFAOYSA-N 1 1 157.257 1.696 10 30 ADEEMO C=CC[C@H](C)[C@H](C)[N@@H+](C)CCO 308044554 572501840 /nfs/dbraw/zinc/50/18/40/572501840.db2.gz OTAJYADZRAIYDT-UWVGGRQHSA-N 1 1 171.284 1.511 10 30 ADEEMO CC[N@@H+](CCC=O)CC(C)C 62538726 572501927 /nfs/dbraw/zinc/50/19/27/572501927.db2.gz YSWHDHAYUOZTJJ-UHFFFAOYSA-N 1 1 157.257 1.553 10 30 ADEEMO O=CCC[N@H+]1CCO[C@H]2CCCC[C@H]21 62539976 572501965 /nfs/dbraw/zinc/50/19/65/572501965.db2.gz HDTVKFIMGYJVKF-MNOVXSKESA-N 1 1 197.278 1.219 10 30 ADEEMO Cc1ccc(C[N@H+](C)CCC=O)o1 62540565 572502037 /nfs/dbraw/zinc/50/20/37/572502037.db2.gz TUMCWRPUBPGKRF-UHFFFAOYSA-N 1 1 181.235 1.609 10 30 ADEEMO Cc1ccc(C[N@@H+](C)CCC=O)o1 62540565 572502042 /nfs/dbraw/zinc/50/20/42/572502042.db2.gz TUMCWRPUBPGKRF-UHFFFAOYSA-N 1 1 181.235 1.609 10 30 ADEEMO C=CC(C)(C)C[N@H+]1CCNC(C)(C)C1 307481871 572502061 /nfs/dbraw/zinc/50/20/61/572502061.db2.gz LLRAOOAPLXQNPU-UHFFFAOYSA-N 1 1 196.338 1.882 10 30 ADEEMO C=CC(C)(C)CN1CC[NH2+]C(C)(C)C1 307481871 572502062 /nfs/dbraw/zinc/50/20/62/572502062.db2.gz LLRAOOAPLXQNPU-UHFFFAOYSA-N 1 1 196.338 1.882 10 30 ADEEMO C=CC[C@@H](C)[C@@H](C)[N@@H+](C)CCO 308044553 572502107 /nfs/dbraw/zinc/50/21/07/572502107.db2.gz OTAJYADZRAIYDT-NXEZZACHSA-N 1 1 171.284 1.511 10 30 ADEEMO CC(C)CC[N@@H+](C)[C@@H](C)C=NO 714466938 572502132 /nfs/dbraw/zinc/50/21/32/572502132.db2.gz KWPSUQZPLXZOCY-VIFPVBQESA-N 1 1 172.272 1.813 10 30 ADEEMO CC(C)[C@H](C)OCC[C@](C)([NH3+])C#N 87469910 572502155 /nfs/dbraw/zinc/50/21/55/572502155.db2.gz XCCKYRNLVMUZLE-UWVGGRQHSA-N 1 1 184.283 1.679 10 30 ADEEMO C[N@@H+](CCC=O)Cc1ccsc1 62540603 572502532 /nfs/dbraw/zinc/50/25/32/572502532.db2.gz PHLOGCFMRRDIGY-UHFFFAOYSA-N 1 1 183.276 1.769 10 30 ADEEMO O=CCC[N@H+](Cc1ccco1)C1CC1 62541606 572502563 /nfs/dbraw/zinc/50/25/63/572502563.db2.gz AVNGBRYUDPESCT-UHFFFAOYSA-N 1 1 193.246 1.833 10 30 ADEEMO O=CCC[N@@H+](Cc1ccco1)C1CC1 62541606 572502567 /nfs/dbraw/zinc/50/25/67/572502567.db2.gz AVNGBRYUDPESCT-UHFFFAOYSA-N 1 1 193.246 1.833 10 30 ADEEMO CC[N@@H+](CCC=O)C1CC1 62538525 572502746 /nfs/dbraw/zinc/50/27/46/572502746.db2.gz HGBXSUZBFSOGJX-UHFFFAOYSA-N 1 1 141.214 1.060 10 30 ADEEMO CC(C)[C@@H](C)OCC[C@](C)([NH3+])C#N 87469909 572502773 /nfs/dbraw/zinc/50/27/73/572502773.db2.gz XCCKYRNLVMUZLE-ZJUUUORDSA-N 1 1 184.283 1.679 10 30 ADEEMO C[N@@H+](CCC=O)[C@H]1CCSC1 62540533 572502868 /nfs/dbraw/zinc/50/28/68/572502868.db2.gz UTAQNCFYVYSKCB-QMMMGPOBSA-N 1 1 173.281 1.013 10 30 ADEEMO CC(C)[C@@H]1CCC[N@H+]1CCC=O 84126613 572502887 /nfs/dbraw/zinc/50/28/87/572502887.db2.gz SBOQSOPPFUAWPV-JTQLQIEISA-N 1 1 169.268 1.696 10 30 ADEEMO C[N@@H+](CCC=O)C1CCCC1 62538583 572502941 /nfs/dbraw/zinc/50/29/41/572502941.db2.gz UYJBMQVQBTZURH-UHFFFAOYSA-N 1 1 155.241 1.450 10 30 ADEEMO CC(C)CC[N@@H+](C)[C@H](C)C=NO 714466935 572503128 /nfs/dbraw/zinc/50/31/28/572503128.db2.gz KWPSUQZPLXZOCY-SECBINFHSA-N 1 1 172.272 1.813 10 30 ADEEMO CC(C)[C@H](C)OCC[C@@](C)([NH3+])C#N 87469912 572503135 /nfs/dbraw/zinc/50/31/35/572503135.db2.gz XCCKYRNLVMUZLE-VHSXEESVSA-N 1 1 184.283 1.679 10 30 ADEEMO C=CC[C@H](C)[C@@H](C)[N@@H+](C)CCO 308044555 572503150 /nfs/dbraw/zinc/50/31/50/572503150.db2.gz OTAJYADZRAIYDT-VHSXEESVSA-N 1 1 171.284 1.511 10 30 ADEEMO CC[N@@H+](CCC=O)Cc1ccco1 62541516 572503168 /nfs/dbraw/zinc/50/31/68/572503168.db2.gz RFXYTEVAFBTXDF-UHFFFAOYSA-N 1 1 181.235 1.691 10 30 ADEEMO C[C@@H](C=NO)[N@@H+](C)CCCC#N 714466869 572503800 /nfs/dbraw/zinc/50/38/00/572503800.db2.gz KOCVNGILXLQYOQ-QMMMGPOBSA-N 1 1 169.228 1.070 10 30 ADEEMO C[N@@H+](CCC=O)CC(C)(C)C 62540003 572503460 /nfs/dbraw/zinc/50/34/60/572503460.db2.gz YXCGXQSHLWNUPS-UHFFFAOYSA-N 1 1 157.257 1.553 10 30 ADEEMO C[C@@H](CC#N)[N@@H+](C)CC[C@H]1CO1 308042338 572503532 /nfs/dbraw/zinc/50/35/32/572503532.db2.gz NWHZLWMTGZHTLH-IUCAKERBSA-N 1 1 168.240 1.009 10 30 ADEEMO C[N@@H+](CCC=O)C[C@@H]1CCCCO1 62539325 572503620 /nfs/dbraw/zinc/50/36/20/572503620.db2.gz GMGMGAWFLAZQIV-JTQLQIEISA-N 1 1 185.267 1.076 10 30 ADEEMO O=CCC[N@H+]1CCc2sccc2C1 62540301 572503629 /nfs/dbraw/zinc/50/36/29/572503629.db2.gz NVLVSCNCJBCUJX-UHFFFAOYSA-N 1 1 195.287 1.695 10 30 ADEEMO C=C(CC)C[N@H+]1CC[C@H](O)C[C@H]1C 307465791 572503688 /nfs/dbraw/zinc/50/36/88/572503688.db2.gz AMYQHVDSLGCVDS-MNOVXSKESA-N 1 1 183.295 1.798 10 30 ADEEMO C[C@@H](C=NO)[N@H+](C)CCCC#N 714466869 572503797 /nfs/dbraw/zinc/50/37/97/572503797.db2.gz KOCVNGILXLQYOQ-QMMMGPOBSA-N 1 1 169.228 1.070 10 30 ADEEMO C[C@H](C=NO)[N@H+](C)CCCC#N 714466866 572503938 /nfs/dbraw/zinc/50/39/38/572503938.db2.gz KOCVNGILXLQYOQ-MRVPVSSYSA-N 1 1 169.228 1.070 10 30 ADEEMO C[C@H](C=NO)[N@@H+](C)CCCC#N 714466866 572503941 /nfs/dbraw/zinc/50/39/41/572503941.db2.gz KOCVNGILXLQYOQ-MRVPVSSYSA-N 1 1 169.228 1.070 10 30 ADEEMO C[C@@H](CC#N)[N@@H+](C)CC[C@@H]1CO1 308042337 572503994 /nfs/dbraw/zinc/50/39/94/572503994.db2.gz NWHZLWMTGZHTLH-DTWKUNHWSA-N 1 1 168.240 1.009 10 30 ADEEMO CC(C)[C@@H](C)OCC[C@@](C)([NH3+])C#N 87469911 572504202 /nfs/dbraw/zinc/50/42/02/572504202.db2.gz XCCKYRNLVMUZLE-NXEZZACHSA-N 1 1 184.283 1.679 10 30 ADEEMO C#CCC[N@H+](C)[C@@H]1C[C@@H](C)O[C@H]1C 307493929 572504395 /nfs/dbraw/zinc/50/43/95/572504395.db2.gz HQWAILBEJNUOGS-OUAUKWLOSA-N 1 1 181.279 1.507 10 30 ADEEMO C=C1CN2CCCC[C@H]2C[N@H+]1C1CC1 307412119 572504507 /nfs/dbraw/zinc/50/45/07/572504507.db2.gz SDPVPFSIVJPBOO-LBPRGKRZSA-N 1 1 192.306 1.833 10 30 ADEEMO C=C1C[N@@H+]2CCCC[C@H]2CN1C1CC1 307412119 572504513 /nfs/dbraw/zinc/50/45/13/572504513.db2.gz SDPVPFSIVJPBOO-LBPRGKRZSA-N 1 1 192.306 1.833 10 30 ADEEMO C=C1C[N@H+]2CCCC[C@H]2CN1C1CC1 307412119 572504517 /nfs/dbraw/zinc/50/45/17/572504517.db2.gz SDPVPFSIVJPBOO-LBPRGKRZSA-N 1 1 192.306 1.833 10 30 ADEEMO C#CCC[N@H+]1CCC[C@@]12CCOC2 307414254 572505829 /nfs/dbraw/zinc/50/58/29/572505829.db2.gz ICDBUYRUWPCHSQ-NSHDSACASA-N 1 1 179.263 1.265 10 30 ADEEMO CCCC[N@@H+](C)[C@@H](C)C=NO 714464804 572506435 /nfs/dbraw/zinc/50/64/35/572506435.db2.gz BHFDWIZVSCNDCB-QMMMGPOBSA-N 1 1 158.245 1.567 10 30 ADEEMO C=C[C@@H](C)N(C)CCC[NH2+]C 87472571 572506189 /nfs/dbraw/zinc/50/61/89/572506189.db2.gz SLMLFBBUZJLABR-SECBINFHSA-N 1 1 156.273 1.102 10 30 ADEEMO C[C@@H](C=NO)[N@@H+](C)CCC1CC1 714465852 572506250 /nfs/dbraw/zinc/50/62/50/572506250.db2.gz GLDIWEWFCKZSBQ-QMMMGPOBSA-N 1 1 170.256 1.567 10 30 ADEEMO C[N@H+]1CCC[C@@]2(C[C@H]2C#N)C1 250633651 572506576 /nfs/dbraw/zinc/50/65/76/572506576.db2.gz RPGPMWRUOGWXIZ-DTWKUNHWSA-N 1 1 150.225 1.242 10 30 ADEEMO C=C(CC)CN(C)CCC[NH2+]C 87472796 572507303 /nfs/dbraw/zinc/50/73/03/572507303.db2.gz LHMOLFZWSHNBDB-UHFFFAOYSA-N 1 1 170.300 1.494 10 30 ADEEMO CC#CC[N@H+]1CCC[C@@]12CCOC2 307418563 572507664 /nfs/dbraw/zinc/50/76/64/572507664.db2.gz LCVGWCCWOAHMHG-NSHDSACASA-N 1 1 179.263 1.265 10 30 ADEEMO C=CC[N@H+]1CC[C@H]2C[C@H]21 307405716 572507680 /nfs/dbraw/zinc/50/76/80/572507680.db2.gz BUIJOMPWFDAAEE-JGVFFNPUSA-N 1 1 123.199 1.267 10 30 ADEEMO CCCC[N@@H+](C)[C@H](C)C=NO 714464802 572507707 /nfs/dbraw/zinc/50/77/07/572507707.db2.gz BHFDWIZVSCNDCB-MRVPVSSYSA-N 1 1 158.245 1.567 10 30 ADEEMO C=C(C)CN(C)CCC[NH2+]C 87472584 572507756 /nfs/dbraw/zinc/50/77/56/572507756.db2.gz JDVIHPJENJOYOW-UHFFFAOYSA-N 1 1 156.273 1.104 10 30 ADEEMO C[N@@H+](C[C@H]1CO1)CC(C)(C)C 45073466 572507869 /nfs/dbraw/zinc/50/78/69/572507869.db2.gz VKBWRLSEJASFMJ-QMMMGPOBSA-N 1 1 157.257 1.363 10 30 ADEEMO C#CC[N@H+](C)[C@H]1CCCSC1 307484326 572507947 /nfs/dbraw/zinc/50/79/47/572507947.db2.gz AYHGVPPDQPMGAN-VIFPVBQESA-N 1 1 169.293 1.447 10 30 ADEEMO C[N@H+]1CCC[C@]2(C[C@H]2C#N)C1 250633652 572508168 /nfs/dbraw/zinc/50/81/68/572508168.db2.gz RPGPMWRUOGWXIZ-IUCAKERBSA-N 1 1 150.225 1.242 10 30 ADEEMO C[N@@H+](C[C@@H]1CO1)CC(C)(C)C 45073465 572508573 /nfs/dbraw/zinc/50/85/73/572508573.db2.gz VKBWRLSEJASFMJ-MRVPVSSYSA-N 1 1 157.257 1.363 10 30 ADEEMO C#CC[N@H+](C)[C@@H]1CCCSC1 307484323 572508737 /nfs/dbraw/zinc/50/87/37/572508737.db2.gz AYHGVPPDQPMGAN-SECBINFHSA-N 1 1 169.293 1.447 10 30 ADEEMO C[C@H](C=NO)[N@@H+](C)CCC1CC1 714465851 572509157 /nfs/dbraw/zinc/50/91/57/572509157.db2.gz GLDIWEWFCKZSBQ-MRVPVSSYSA-N 1 1 170.256 1.567 10 30 ADEEMO C[C@H](C=O)[N@H+](C)C[C@@H]1CC(C)(C)CO1 714466364 572509584 /nfs/dbraw/zinc/50/95/84/572509584.db2.gz IHHGWVCNVDRROU-ZJUUUORDSA-N 1 1 199.294 1.321 10 30 ADEEMO C[C@H](C=O)[N@@H+](C)C[C@@H]1CC(C)(C)CO1 714466364 572509588 /nfs/dbraw/zinc/50/95/88/572509588.db2.gz IHHGWVCNVDRROU-ZJUUUORDSA-N 1 1 199.294 1.321 10 30 ADEEMO CC(C)[N@@H+](C)[C@H](C)C=NO 714466370 572509738 /nfs/dbraw/zinc/50/97/38/572509738.db2.gz IMWRMFWRBRNNHF-SSDOTTSWSA-N 1 1 144.218 1.175 10 30 ADEEMO CC(C)[N@@H+](C)[C@@H](C)C=NO 714466375 572509873 /nfs/dbraw/zinc/50/98/73/572509873.db2.gz IMWRMFWRBRNNHF-ZETCQYMHSA-N 1 1 144.218 1.175 10 30 ADEEMO CC#CC[N@H+]1CCC[C@]12CCOC2 307417679 572510280 /nfs/dbraw/zinc/51/02/80/572510280.db2.gz LCVGWCCWOAHMHG-LLVKDONJSA-N 1 1 179.263 1.265 10 30 ADEEMO C#CCC[N@H+](CC)[C@H]1CCC[C@@H]1C[NH3+] 84214441 572510817 /nfs/dbraw/zinc/51/08/17/572510817.db2.gz LYQLZKUFSVGELZ-NEPJUHHUSA-N 1 1 194.322 1.459 10 30 ADEEMO C#CCC[N@@H+]1CCCC[C@]1(C)CO 307458029 572510827 /nfs/dbraw/zinc/51/08/27/572510827.db2.gz AKECNFJKSRWUJQ-LLVKDONJSA-N 1 1 181.279 1.247 10 30 ADEEMO C[N@@H+](CCCC#N)[C@@H]1CCC[C@@H]1C[NH3+] 84214026 572510870 /nfs/dbraw/zinc/51/08/70/572510870.db2.gz XEDMILJTHRKWMK-GHMZBOCLSA-N 1 1 195.310 1.349 10 30 ADEEMO CN(CCCC#N)[C@@H]1CCC[C@@H]1C[NH3+] 84214026 572510874 /nfs/dbraw/zinc/51/08/74/572510874.db2.gz XEDMILJTHRKWMK-GHMZBOCLSA-N 1 1 195.310 1.349 10 30 ADEEMO C=C(C)C[N@H+](C)[C@@H]1CCC[C@@H]1C[NH3+] 84213986 572510963 /nfs/dbraw/zinc/51/09/63/572510963.db2.gz VVJGQHPGGNXEKZ-GHMZBOCLSA-N 1 1 182.311 1.622 10 30 ADEEMO CCC[N@@H+](C)[C@H](C)C=NO 714467451 572511257 /nfs/dbraw/zinc/51/12/57/572511257.db2.gz NJYMISCUGIDXQN-SSDOTTSWSA-N 1 1 144.218 1.177 10 30 ADEEMO C[C@@H](C=NO)[N@@H+](C)CC1CCC1 714466978 572511449 /nfs/dbraw/zinc/51/14/49/572511449.db2.gz LJSVKCAIEXHMBY-QMMMGPOBSA-N 1 1 170.256 1.567 10 30 ADEEMO C=C[C@H](C)[N@@H+](C)[C@@H]1CCC[C@@H]1C[NH3+] 84214064 572511530 /nfs/dbraw/zinc/51/15/30/572511530.db2.gz NEPOBPMQGAMDPD-HBNTYKKESA-N 1 1 182.311 1.620 10 30 ADEEMO COCC(C)(C)C[N@@H+](C)[C@@H](C)C=O 714467466 572511589 /nfs/dbraw/zinc/51/15/89/572511589.db2.gz NQPJLJIWKFTJEZ-VIFPVBQESA-N 1 1 187.283 1.178 10 30 ADEEMO C[N@@H+](CCCC#N)[C@H]1CCC[C@@H]1C[NH3+] 84214027 572511867 /nfs/dbraw/zinc/51/18/67/572511867.db2.gz XEDMILJTHRKWMK-MNOVXSKESA-N 1 1 195.310 1.349 10 30 ADEEMO CN(CCCC#N)[C@H]1CCC[C@@H]1C[NH3+] 84214027 572511873 /nfs/dbraw/zinc/51/18/73/572511873.db2.gz XEDMILJTHRKWMK-MNOVXSKESA-N 1 1 195.310 1.349 10 30 ADEEMO C=C(C)C[N@H+](C)CC#CC 307416076 572511996 /nfs/dbraw/zinc/51/19/96/572511996.db2.gz JYVNLWODUNJPHV-UHFFFAOYSA-N 1 1 137.226 1.518 10 30 ADEEMO C=C1CCC[N@H+](CCC2(O)CC2)C1 307401478 572512038 /nfs/dbraw/zinc/51/20/38/572512038.db2.gz AVCRTZPLGXBHOS-UHFFFAOYSA-N 1 1 181.279 1.553 10 30 ADEEMO CC#CCC[NH2+][C@@H]1CCCN[C@@H]1C 307487011 572512133 /nfs/dbraw/zinc/51/21/33/572512133.db2.gz BZWPMHWGPPHIDK-GHMZBOCLSA-N 1 1 180.295 1.130 10 30 ADEEMO C#CCC[N@H+](C)[C@H]1CCCC[C@@H]1C[NH3+] 84214779 572512135 /nfs/dbraw/zinc/51/21/35/572512135.db2.gz LPJZZNLWGHRWSJ-NEPJUHHUSA-N 1 1 194.322 1.459 10 30 ADEEMO C#CC[N@H+](CC)[C@H]1CCO[C@@H]1C 307435426 572512337 /nfs/dbraw/zinc/51/23/37/572512337.db2.gz KOQMQYSSGSEURN-ZJUUUORDSA-N 1 1 167.252 1.119 10 30 ADEEMO C=CC[N@H+](C)[C@@H]1CCCC[C@@H]1C[NH3+] 84214822 572512359 /nfs/dbraw/zinc/51/23/59/572512359.db2.gz RXYMUUJMWBRVNL-GHMZBOCLSA-N 1 1 182.311 1.622 10 30 ADEEMO C[C@H](C=NO)[N@@H+](C)CC1CCC1 714466976 572512405 /nfs/dbraw/zinc/51/24/05/572512405.db2.gz LJSVKCAIEXHMBY-MRVPVSSYSA-N 1 1 170.256 1.567 10 30 ADEEMO COCC(C)(C)C[N@@H+](C)[C@H](C)C=O 714467465 572512538 /nfs/dbraw/zinc/51/25/38/572512538.db2.gz NQPJLJIWKFTJEZ-SECBINFHSA-N 1 1 187.283 1.178 10 30 ADEEMO C#C[C@H](CC)N1CC[C@H]([NH3+])C(C)(C)C1 307465965 572512554 /nfs/dbraw/zinc/51/25/54/572512554.db2.gz JIEQQEURVKWOSC-MNOVXSKESA-N 1 1 194.322 1.457 10 30 ADEEMO C=CCC[N@H+](C)[C@@H]1CCC[C@@H]1C[NH3+] 84214114 572512628 /nfs/dbraw/zinc/51/26/28/572512628.db2.gz JDCQFYVRBQLIMX-GHMZBOCLSA-N 1 1 182.311 1.622 10 30 ADEEMO C=CC[N@@H+](CC)CCF 307433607 572512682 /nfs/dbraw/zinc/51/26/82/572512682.db2.gz QGZMMLLQOUZIRP-UHFFFAOYSA-N 1 1 131.194 1.464 10 30 ADEEMO C=CCC[N@H+](C)[C@H]1CCC[C@@H]1C[NH3+] 84214115 572512909 /nfs/dbraw/zinc/51/29/09/572512909.db2.gz JDCQFYVRBQLIMX-MNOVXSKESA-N 1 1 182.311 1.622 10 30 ADEEMO C#CCC[N@H+](C)[C@@H]1CCC[C@@H]1C[NH3+] 84213960 572513136 /nfs/dbraw/zinc/51/31/36/572513136.db2.gz MDNREXSLIROLNB-GHMZBOCLSA-N 1 1 180.295 1.069 10 30 ADEEMO C#CCC[N@H+](C)[C@@H]1CCCC[C@@H]1C[NH3+] 84214778 572513150 /nfs/dbraw/zinc/51/31/50/572513150.db2.gz LPJZZNLWGHRWSJ-VXGBXAGGSA-N 1 1 194.322 1.459 10 30 ADEEMO C=CC[N@H+]1C[C@@H]2C[C@@H]3C=C[C@@]32C1 307419406 572513211 /nfs/dbraw/zinc/51/32/11/572513211.db2.gz HWMWYRWHEOCQSK-GARJFASQSA-N 1 1 161.248 1.680 10 30 ADEEMO C#CCC[N@H+](C)[C@@H]1C[C@H](C)O[C@@H]1C 307493924 572513284 /nfs/dbraw/zinc/51/32/84/572513284.db2.gz HQWAILBEJNUOGS-HBNTYKKESA-N 1 1 181.279 1.507 10 30 ADEEMO C=C(C)C[N@H+](C)[C@H]1CCC[C@@H]1C[NH3+] 84213987 572513413 /nfs/dbraw/zinc/51/34/13/572513413.db2.gz VVJGQHPGGNXEKZ-MNOVXSKESA-N 1 1 182.311 1.622 10 30 ADEEMO CCC[N@@H+](C)[C@@H](C)C=NO 714467452 572513733 /nfs/dbraw/zinc/51/37/33/572513733.db2.gz NJYMISCUGIDXQN-ZETCQYMHSA-N 1 1 144.218 1.177 10 30 ADEEMO C=CC[N@H+](C)[C@H]1CCCC[C@@H]1C[NH3+] 84214823 572513819 /nfs/dbraw/zinc/51/38/19/572513819.db2.gz RXYMUUJMWBRVNL-MNOVXSKESA-N 1 1 182.311 1.622 10 30 ADEEMO C=CC[N@H+](CC)[C@@H]1CCC[C@@H]1C[NH3+] 84214488 572513866 /nfs/dbraw/zinc/51/38/66/572513866.db2.gz MMEBEPPAVAAYNG-GHMZBOCLSA-N 1 1 182.311 1.622 10 30 ADEEMO C#C[C@H](CC)N1CC[C@@H]([NH3+])C(C)(C)C1 307465964 572515630 /nfs/dbraw/zinc/51/56/30/572515630.db2.gz JIEQQEURVKWOSC-GHMZBOCLSA-N 1 1 194.322 1.457 10 30 ADEEMO C=CC[N@H+](CC)[C@H]1CCC[C@@H]1C[NH3+] 84214489 572514160 /nfs/dbraw/zinc/51/41/60/572514160.db2.gz MMEBEPPAVAAYNG-MNOVXSKESA-N 1 1 182.311 1.622 10 30 ADEEMO C=C(CC)C[N@H+]1CC[C@@H](O)[C@@H]1C 307490654 572514195 /nfs/dbraw/zinc/51/41/95/572514195.db2.gz XWDBVDFVTWMIRT-VHSXEESVSA-N 1 1 169.268 1.408 10 30 ADEEMO C#CCC[N@H+](C)[C@H]1CCC[C@@H]1C[NH3+] 84213961 572514202 /nfs/dbraw/zinc/51/42/02/572514202.db2.gz MDNREXSLIROLNB-MNOVXSKESA-N 1 1 180.295 1.069 10 30 ADEEMO C#CCC[N@H+](CC)[C@@H]1CCC[C@@H]1C[NH3+] 84214440 572514225 /nfs/dbraw/zinc/51/42/25/572514225.db2.gz LYQLZKUFSVGELZ-VXGBXAGGSA-N 1 1 194.322 1.459 10 30 ADEEMO C#C[C@H](C)[N@H+](C)CC(C)C 307463016 572514694 /nfs/dbraw/zinc/51/46/94/572514694.db2.gz GKECUJDEHMHWDF-VIFPVBQESA-N 1 1 139.242 1.596 10 30 ADEEMO COCC[C@@H](C)[N@@H+](C)[C@H](C)C=NO 714474386 572515194 /nfs/dbraw/zinc/51/51/94/572515194.db2.gz YBNULQITGAHTAU-RKDXNWHRSA-N 1 1 188.271 1.192 10 30 ADEEMO C=CC(C)(C)C[N@@H+]1CCNC[C@H]1C 307493299 572515304 /nfs/dbraw/zinc/51/53/04/572515304.db2.gz QNEDCGDIZXCBPZ-SNVBAGLBSA-N 1 1 182.311 1.492 10 30 ADEEMO C=CC(C)(C)CN1CC[NH2+]C[C@H]1C 307493299 572515310 /nfs/dbraw/zinc/51/53/10/572515310.db2.gz QNEDCGDIZXCBPZ-SNVBAGLBSA-N 1 1 182.311 1.492 10 30 ADEEMO COCC[C@H](C)[N@@H+](C)[C@@H](C)C=NO 714474382 572515402 /nfs/dbraw/zinc/51/54/02/572515402.db2.gz YBNULQITGAHTAU-IUCAKERBSA-N 1 1 188.271 1.192 10 30 ADEEMO C=C(C)CC[N@H+]1CCNC(C)(C)C1 307478739 572516237 /nfs/dbraw/zinc/51/62/37/572516237.db2.gz FKSNQPYLRAOABO-UHFFFAOYSA-N 1 1 182.311 1.636 10 30 ADEEMO C=C(C)CCN1CC[NH2+]C(C)(C)C1 307478739 572516240 /nfs/dbraw/zinc/51/62/40/572516240.db2.gz FKSNQPYLRAOABO-UHFFFAOYSA-N 1 1 182.311 1.636 10 30 ADEEMO C#CC[N@H+](CC)[C@@H]1CCO[C@@H]1C 307435423 572516253 /nfs/dbraw/zinc/51/62/53/572516253.db2.gz KOQMQYSSGSEURN-NXEZZACHSA-N 1 1 167.252 1.119 10 30 ADEEMO COCC[C@H](C)[N@@H+](C)[C@H](C)C=NO 714474381 572516385 /nfs/dbraw/zinc/51/63/85/572516385.db2.gz YBNULQITGAHTAU-DTWKUNHWSA-N 1 1 188.271 1.192 10 30 ADEEMO CC#CCN[C@@H]1C[N@H+](C(C)C)C[C@H]1C 307404527 572516402 /nfs/dbraw/zinc/51/64/02/572516402.db2.gz CQBGPAYLKLQYIS-VXGBXAGGSA-N 1 1 194.322 1.328 10 30 ADEEMO CC#CC[NH2+][C@@H]1CN(C(C)C)C[C@H]1C 307404527 572516405 /nfs/dbraw/zinc/51/64/05/572516405.db2.gz CQBGPAYLKLQYIS-VXGBXAGGSA-N 1 1 194.322 1.328 10 30 ADEEMO C=C(C)CCNc1nc(N)cc[nH+]1 307428614 572516451 /nfs/dbraw/zinc/51/64/51/572516451.db2.gz UIRJTWPGQQISHM-UHFFFAOYSA-N 1 1 178.239 1.437 10 30 ADEEMO C#CC[N@@H+]1CC[C@H](C(F)F)C1 307412345 572516662 /nfs/dbraw/zinc/51/66/62/572516662.db2.gz QVYDGIOJHMIQDJ-ZETCQYMHSA-N 1 1 159.179 1.207 10 30 ADEEMO COCC[C@@H](C)[N@@H+](C)[C@@H](C)C=NO 714474378 572517002 /nfs/dbraw/zinc/51/70/02/572517002.db2.gz YBNULQITGAHTAU-BDAKNGLRSA-N 1 1 188.271 1.192 10 30 ADEEMO CC(C)SCC[C@](C)([NH3+])C#N 45220203 572518241 /nfs/dbraw/zinc/51/82/41/572518241.db2.gz KRQGRIAKTYCWCL-QMMMGPOBSA-N 1 1 172.297 1.759 10 30 ADEEMO C[C@H](C=NO)[N@@H+](C)C[C@H]1C[C@@H]2C[C@@H]2C1 714473400 572518435 /nfs/dbraw/zinc/51/84/35/572518435.db2.gz QSWNIOWRZXFJDG-CHWFTXMASA-N 1 1 196.294 1.813 10 30 ADEEMO C[N@H+]1CCC[C@]2(C[C@H]2CCC=O)C1 250649362 572518503 /nfs/dbraw/zinc/51/85/03/572518503.db2.gz WGBXLLNIYIMHDG-MNOVXSKESA-N 1 1 181.279 1.697 10 30 ADEEMO C=CCC[C@H](C)[N@@H+](CC)CCO 308050154 572519112 /nfs/dbraw/zinc/51/91/12/572519112.db2.gz RTYTWCLJAGVQGN-JTQLQIEISA-N 1 1 171.284 1.655 10 30 ADEEMO C[N@H+]1CCC[C@@]2(C[C@H]2CCC=O)C1 250649360 572519876 /nfs/dbraw/zinc/51/98/76/572519876.db2.gz WGBXLLNIYIMHDG-GHMZBOCLSA-N 1 1 181.279 1.697 10 30 ADEEMO C=CCC[C@@H](C)[N@@H+](CC)CCO 308050155 572519902 /nfs/dbraw/zinc/51/99/02/572519902.db2.gz RTYTWCLJAGVQGN-SNVBAGLBSA-N 1 1 171.284 1.655 10 30 ADEEMO CC(C)SCC[C@@](C)([NH3+])C#N 45220206 572519998 /nfs/dbraw/zinc/51/99/98/572519998.db2.gz KRQGRIAKTYCWCL-MRVPVSSYSA-N 1 1 172.297 1.759 10 30 ADEEMO CCSCC[C@@](C)([NH3+])C#N 45216817 572520056 /nfs/dbraw/zinc/52/00/56/572520056.db2.gz JZLFXMUSJCHPIM-SSDOTTSWSA-N 1 1 158.270 1.371 10 30 ADEEMO C[C@@H](C=NO)[N@@H+](C)C[C@H]1C[C@@H]2C[C@@H]2C1 714473439 572520242 /nfs/dbraw/zinc/52/02/42/572520242.db2.gz QSWNIOWRZXFJDG-MMWGEVLESA-N 1 1 196.294 1.813 10 30 ADEEMO C[C@H](C#N)c1cnc(CC[NH+](C)C)[nH]1 74268658 572520293 /nfs/dbraw/zinc/52/02/93/572520293.db2.gz GCBIPWMVGNQKTB-MRVPVSSYSA-N 1 1 192.266 1.141 10 30 ADEEMO C[N@@H+]1CCN(C(C)(C)C)[C@H](CC#N)C1 250686557 572520593 /nfs/dbraw/zinc/52/05/93/572520593.db2.gz HBEMPWSQEOUJMF-SNVBAGLBSA-N 1 1 195.310 1.315 10 30 ADEEMO C[N@H+]1CCN(C(C)(C)C)[C@H](CC#N)C1 250686557 572520595 /nfs/dbraw/zinc/52/05/95/572520595.db2.gz HBEMPWSQEOUJMF-SNVBAGLBSA-N 1 1 195.310 1.315 10 30 ADEEMO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](O)C1 221459829 572520789 /nfs/dbraw/zinc/52/07/89/572520789.db2.gz PUMGGCQJCSPMHQ-CBAPKCEASA-N 1 1 189.686 1.442 10 30 ADEEMO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](O)C1 221459829 572520793 /nfs/dbraw/zinc/52/07/93/572520793.db2.gz PUMGGCQJCSPMHQ-CBAPKCEASA-N 1 1 189.686 1.442 10 30 ADEEMO C[N@H+]1CC[C@H]([C@H](C#N)C2CCC2)C1 250656765 572522020 /nfs/dbraw/zinc/52/20/20/572522020.db2.gz XYEVFNVQYPREQL-WDEREUQCSA-N 1 1 178.279 1.878 10 30 ADEEMO C[N@H+]1CC[C@@H]([C@H](C#N)C2CCC2)C1 250656763 572523140 /nfs/dbraw/zinc/52/31/40/572523140.db2.gz XYEVFNVQYPREQL-GHMZBOCLSA-N 1 1 178.279 1.878 10 30 ADEEMO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](O)C1 221459769 572523382 /nfs/dbraw/zinc/52/33/82/572523382.db2.gz PUMGGCQJCSPMHQ-APPZFPTMSA-N 1 1 189.686 1.442 10 30 ADEEMO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](O)C1 221459769 572523384 /nfs/dbraw/zinc/52/33/84/572523384.db2.gz PUMGGCQJCSPMHQ-APPZFPTMSA-N 1 1 189.686 1.442 10 30 ADEEMO CCC(CC)C[N@H+](CC)C[C@H](N)C#N 45316376 572524627 /nfs/dbraw/zinc/52/46/27/572524627.db2.gz GAQWLDMBMWHOIP-LLVKDONJSA-N 1 1 197.326 1.595 10 30 ADEEMO CCC(CC)C[N@@H+](CC)C[C@H](N)C#N 45316376 572524631 /nfs/dbraw/zinc/52/46/31/572524631.db2.gz GAQWLDMBMWHOIP-LLVKDONJSA-N 1 1 197.326 1.595 10 30 ADEEMO C[N@H+](C[C@@H](N)C#N)C1CCCCCC1 45312086 572524644 /nfs/dbraw/zinc/52/46/44/572524644.db2.gz RAWJXRZHCRGKHV-JTQLQIEISA-N 1 1 195.310 1.492 10 30 ADEEMO C[N@@H+](C[C@@H](N)C#N)C1CCCCCC1 45312086 572524648 /nfs/dbraw/zinc/52/46/48/572524648.db2.gz RAWJXRZHCRGKHV-JTQLQIEISA-N 1 1 195.310 1.492 10 30 ADEEMO CC[C@H]1CCCC[N@@H+]1C[C@H](N)C#N 45309288 572524735 /nfs/dbraw/zinc/52/47/35/572524735.db2.gz BERXLDAJECBIGQ-ZJUUUORDSA-N 1 1 181.283 1.102 10 30 ADEEMO CC[C@H]1CCCC[N@H+]1C[C@H](N)C#N 45309288 572524739 /nfs/dbraw/zinc/52/47/39/572524739.db2.gz BERXLDAJECBIGQ-ZJUUUORDSA-N 1 1 181.283 1.102 10 30 ADEEMO C[C@@H]1CCCC[C@H]1[N@@H+](C)C[C@H](N)C#N 45317605 572525055 /nfs/dbraw/zinc/52/50/55/572525055.db2.gz UMXPLBCHPFFLNP-GMTAPVOTSA-N 1 1 195.310 1.348 10 30 ADEEMO C[N@H+](C[C@H](N)C#N)C1CCCCC1 45307715 572525248 /nfs/dbraw/zinc/52/52/48/572525248.db2.gz RIUWCGSOZGVJNZ-SECBINFHSA-N 1 1 181.283 1.102 10 30 ADEEMO C[N@@H+](C[C@H](N)C#N)C1CCCCC1 45307715 572525249 /nfs/dbraw/zinc/52/52/49/572525249.db2.gz RIUWCGSOZGVJNZ-SECBINFHSA-N 1 1 181.283 1.102 10 30 ADEEMO CC1CCC([N@H+](C)C[C@H](N)C#N)CC1 45319183 572525856 /nfs/dbraw/zinc/52/58/56/572525856.db2.gz HFRUAAXBVOZLRL-HSOILSAZSA-N 1 1 195.310 1.348 10 30 ADEEMO CC1CCC([N@@H+](C)C[C@H](N)C#N)CC1 45319183 572525858 /nfs/dbraw/zinc/52/58/58/572525858.db2.gz HFRUAAXBVOZLRL-HSOILSAZSA-N 1 1 195.310 1.348 10 30 ADEEMO C[C@@H]1CCC[C@@H]([N@H+](C)C[C@H](N)C#N)C1 45315347 572526057 /nfs/dbraw/zinc/52/60/57/572526057.db2.gz SVDLCWSERNIMGR-GMTAPVOTSA-N 1 1 195.310 1.348 10 30 ADEEMO C[C@@H]1CCC[C@@H]([N@@H+](C)C[C@H](N)C#N)C1 45315347 572526061 /nfs/dbraw/zinc/52/60/61/572526061.db2.gz SVDLCWSERNIMGR-GMTAPVOTSA-N 1 1 195.310 1.348 10 30 ADEEMO C=C(C)CC[N@@H+]1CC[C@@H](O)[C@@H]1C 307438840 572526075 /nfs/dbraw/zinc/52/60/75/572526075.db2.gz MTULMKUTUFPCSH-VHSXEESVSA-N 1 1 169.268 1.408 10 30 ADEEMO C[C@H]1CCC[C@@H](C)[N@@H+]1C[C@H](N)C#N 45307928 572526481 /nfs/dbraw/zinc/52/64/81/572526481.db2.gz LEYOFPIXFOTQTI-KXUCPTDWSA-N 1 1 181.283 1.100 10 30 ADEEMO C[C@H]1CCC[C@@H](C)[N@H+]1C[C@H](N)C#N 45307928 572526486 /nfs/dbraw/zinc/52/64/86/572526486.db2.gz LEYOFPIXFOTQTI-KXUCPTDWSA-N 1 1 181.283 1.100 10 30 ADEEMO C[N@H+](C[C@@H](N)C#N)C1CCCCC1 45307718 572526595 /nfs/dbraw/zinc/52/65/95/572526595.db2.gz RIUWCGSOZGVJNZ-VIFPVBQESA-N 1 1 181.283 1.102 10 30 ADEEMO C[N@@H+](C[C@@H](N)C#N)C1CCCCC1 45307718 572526598 /nfs/dbraw/zinc/52/65/98/572526598.db2.gz RIUWCGSOZGVJNZ-VIFPVBQESA-N 1 1 181.283 1.102 10 30 ADEEMO C[C@@H]1CCC[C@H]([N@H+](C)C[C@H](N)C#N)C1 45315340 572526784 /nfs/dbraw/zinc/52/67/84/572526784.db2.gz SVDLCWSERNIMGR-MXWKQRLJSA-N 1 1 195.310 1.348 10 30 ADEEMO C[C@@H]1CCC[C@H]([N@@H+](C)C[C@H](N)C#N)C1 45315340 572526787 /nfs/dbraw/zinc/52/67/87/572526787.db2.gz SVDLCWSERNIMGR-MXWKQRLJSA-N 1 1 195.310 1.348 10 30 ADEEMO CC1CCC([N@H+](C)C[C@@H](N)C#N)CC1 45319187 572526965 /nfs/dbraw/zinc/52/69/65/572526965.db2.gz HFRUAAXBVOZLRL-YVNMAJEFSA-N 1 1 195.310 1.348 10 30 ADEEMO CC1CCC([N@@H+](C)C[C@@H](N)C#N)CC1 45319187 572526969 /nfs/dbraw/zinc/52/69/69/572526969.db2.gz HFRUAAXBVOZLRL-YVNMAJEFSA-N 1 1 195.310 1.348 10 30 ADEEMO CC[C@@H]1CCCC[N@@H+]1C[C@H](N)C#N 45309285 572527182 /nfs/dbraw/zinc/52/71/82/572527182.db2.gz BERXLDAJECBIGQ-NXEZZACHSA-N 1 1 181.283 1.102 10 30 ADEEMO CC[C@@H]1CCCC[N@H+]1C[C@H](N)C#N 45309285 572527185 /nfs/dbraw/zinc/52/71/85/572527185.db2.gz BERXLDAJECBIGQ-NXEZZACHSA-N 1 1 181.283 1.102 10 30 ADEEMO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@H](N)C#N 45307934 572527637 /nfs/dbraw/zinc/52/76/37/572527637.db2.gz LEYOFPIXFOTQTI-OPRDCNLKSA-N 1 1 181.283 1.100 10 30 ADEEMO C[N@H+](C[C@H](N)C#N)C1CCCCCC1 45312083 572527701 /nfs/dbraw/zinc/52/77/01/572527701.db2.gz RAWJXRZHCRGKHV-SNVBAGLBSA-N 1 1 195.310 1.492 10 30 ADEEMO C[N@@H+](C[C@H](N)C#N)C1CCCCCC1 45312083 572527704 /nfs/dbraw/zinc/52/77/04/572527704.db2.gz RAWJXRZHCRGKHV-SNVBAGLBSA-N 1 1 195.310 1.492 10 30 ADEEMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)C[C@H](N)C#N 45317598 572527756 /nfs/dbraw/zinc/52/77/56/572527756.db2.gz UMXPLBCHPFFLNP-MXWKQRLJSA-N 1 1 195.310 1.348 10 30 ADEEMO C[C@@H](CC#N)N(C)c1cc[nH+]cc1N 63086817 572528217 /nfs/dbraw/zinc/52/82/17/572528217.db2.gz OTLVFLYGBILEKP-QMMMGPOBSA-N 1 1 190.250 1.402 10 30 ADEEMO CC/N=C\C(C)(C)C[NH2+]C 307789640 572528301 /nfs/dbraw/zinc/52/83/01/572528301.db2.gz CULXQWQCGJSIDH-YFHOEESVSA-N 1 1 142.246 1.323 10 30 ADEEMO C#CCC[N@H+](C)[C@@H]1C[C@@H](C)O[C@@H]1C 307493921 572528508 /nfs/dbraw/zinc/52/85/08/572528508.db2.gz HQWAILBEJNUOGS-GMTAPVOTSA-N 1 1 181.279 1.507 10 30 ADEEMO C=C[C@H](C)[N@@H+](C)[C@@H](C)CC#N 63095360 572528827 /nfs/dbraw/zinc/52/88/27/572528827.db2.gz FVRLMVATTWXALN-IUCAKERBSA-N 1 1 152.241 1.795 10 30 ADEEMO C=C[C@H](C)[N@H+](C)[C@@H](C)CC#N 63095360 572528831 /nfs/dbraw/zinc/52/88/31/572528831.db2.gz FVRLMVATTWXALN-IUCAKERBSA-N 1 1 152.241 1.795 10 30 ADEEMO C=C(CN)C[N@H+]1C[C@H](C)CC1(C)C 307459591 572529071 /nfs/dbraw/zinc/52/90/71/572529071.db2.gz CIHGDJVABHTFAC-SECBINFHSA-N 1 1 182.311 1.622 10 30 ADEEMO C=C(CN)C[N@@H+]1C[C@H](C)CC1(C)C 307459591 572529076 /nfs/dbraw/zinc/52/90/76/572529076.db2.gz CIHGDJVABHTFAC-SECBINFHSA-N 1 1 182.311 1.622 10 30 ADEEMO C/C=C/C[N@H+](C)[C@H](C)CC#N 63095432 572529801 /nfs/dbraw/zinc/52/98/01/572529801.db2.gz IEAVBBIQUIKLIE-XNPJLODASA-N 1 1 152.241 1.796 10 30 ADEEMO C/C=C/C[N@@H+](C)[C@H](C)CC#N 63095432 572529806 /nfs/dbraw/zinc/52/98/06/572529806.db2.gz IEAVBBIQUIKLIE-XNPJLODASA-N 1 1 152.241 1.796 10 30 ADEEMO C=C1CN2CCCC[C@@H]2C[N@H+]1C1CC1 307412115 572529808 /nfs/dbraw/zinc/52/98/08/572529808.db2.gz SDPVPFSIVJPBOO-GFCCVEGCSA-N 1 1 192.306 1.833 10 30 ADEEMO C=C1C[N@@H+]2CCCC[C@@H]2CN1C1CC1 307412115 572529814 /nfs/dbraw/zinc/52/98/14/572529814.db2.gz SDPVPFSIVJPBOO-GFCCVEGCSA-N 1 1 192.306 1.833 10 30 ADEEMO C=C1C[N@H+]2CCCC[C@@H]2CN1C1CC1 307412115 572529820 /nfs/dbraw/zinc/52/98/20/572529820.db2.gz SDPVPFSIVJPBOO-GFCCVEGCSA-N 1 1 192.306 1.833 10 30 ADEEMO C/C=C/C[N@H+](C)[C@@H](C)CC#N 63095430 572529918 /nfs/dbraw/zinc/52/99/18/572529918.db2.gz IEAVBBIQUIKLIE-MOVJSRMASA-N 1 1 152.241 1.796 10 30 ADEEMO C/C=C/C[N@@H+](C)[C@@H](C)CC#N 63095430 572529926 /nfs/dbraw/zinc/52/99/26/572529926.db2.gz IEAVBBIQUIKLIE-MOVJSRMASA-N 1 1 152.241 1.796 10 30 ADEEMO C=C[C@H](C)[N@@H+](C)[C@H](C)CC#N 63095362 572529937 /nfs/dbraw/zinc/52/99/37/572529937.db2.gz FVRLMVATTWXALN-DTWKUNHWSA-N 1 1 152.241 1.795 10 30 ADEEMO C=C[C@H](C)[N@H+](C)[C@H](C)CC#N 63095362 572529939 /nfs/dbraw/zinc/52/99/39/572529939.db2.gz FVRLMVATTWXALN-DTWKUNHWSA-N 1 1 152.241 1.795 10 30 ADEEMO N#C[C@H]1CC[N@H+]2CCCC[C@@H]2C1 250884198 572530259 /nfs/dbraw/zinc/53/02/59/572530259.db2.gz WCMCVYJIALWOCA-VHSXEESVSA-N 1 1 164.252 1.774 10 30 ADEEMO C[C@H](CC#N)N(C)c1cc[nH+]cc1N 63086818 572530337 /nfs/dbraw/zinc/53/03/37/572530337.db2.gz OTLVFLYGBILEKP-MRVPVSSYSA-N 1 1 190.250 1.402 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CC[C@H]2OCC[C@H]2C1 307423328 572530349 /nfs/dbraw/zinc/53/03/49/572530349.db2.gz IJKSJFDRWZKAAU-OUAUKWLOSA-N 1 1 181.279 1.672 10 30 ADEEMO CN1CC[N@H+](C(C)(C)C)C[C@@H]1CC#N 250703426 572530481 /nfs/dbraw/zinc/53/04/81/572530481.db2.gz OUBAVNDEONONHF-JTQLQIEISA-N 1 1 195.310 1.315 10 30 ADEEMO C#C[C@]1(O)CC[N@H+](CCC(C)C)C1 307403860 572530753 /nfs/dbraw/zinc/53/07/53/572530753.db2.gz AWENZRPIKPRHCF-NSHDSACASA-N 1 1 181.279 1.103 10 30 ADEEMO C=CC[N@H+]1CC[C@@H]2C[C@@H]21 307405723 572531037 /nfs/dbraw/zinc/53/10/37/572531037.db2.gz BUIJOMPWFDAAEE-SFYZADRCSA-N 1 1 123.199 1.267 10 30 ADEEMO C[C@@H](CS)C[N@H+]1CC[C@@](C)(O)C1 235126881 572531828 /nfs/dbraw/zinc/53/18/28/572531828.db2.gz DPXQOVWOKHUFFH-RKDXNWHRSA-N 1 1 189.324 1.009 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCC[C@@H](CO)CC1 307478774 572532171 /nfs/dbraw/zinc/53/21/71/572532171.db2.gz FMCOVLLOJZAICF-WDEREUQCSA-N 1 1 183.295 1.655 10 30 ADEEMO CC(C)N1CCC[N@@H+](C)C[C@H]1CC#N 250701278 572532270 /nfs/dbraw/zinc/53/22/70/572532270.db2.gz AOELVSAXNJRFEE-LLVKDONJSA-N 1 1 195.310 1.315 10 30 ADEEMO C=C(CC)C[N@H+]1CC[C@@H](O)C[C@@H]1C 307465792 572532619 /nfs/dbraw/zinc/53/26/19/572532619.db2.gz AMYQHVDSLGCVDS-WDEREUQCSA-N 1 1 183.295 1.798 10 30 ADEEMO N#C[C@@H]1CC[N@H+]2CCCC[C@@H]2C1 250884197 572532887 /nfs/dbraw/zinc/53/28/87/572532887.db2.gz WCMCVYJIALWOCA-NXEZZACHSA-N 1 1 164.252 1.774 10 30 ADEEMO C[C@@H](C#N)c1n[nH]c2c1C[N@H+](C)CC2 74274026 572533188 /nfs/dbraw/zinc/53/31/88/572533188.db2.gz OHPLBJOEEAJNTC-ZETCQYMHSA-N 1 1 190.250 1.025 10 30 ADEEMO CC#CCN[C@@H]1C[N@H+](C(C)C)C[C@@H]1C 307404508 572532968 /nfs/dbraw/zinc/53/29/68/572532968.db2.gz CQBGPAYLKLQYIS-NWDGAFQWSA-N 1 1 194.322 1.328 10 30 ADEEMO CC#CC[NH2+][C@@H]1CN(C(C)C)C[C@@H]1C 307404508 572532972 /nfs/dbraw/zinc/53/29/72/572532972.db2.gz CQBGPAYLKLQYIS-NWDGAFQWSA-N 1 1 194.322 1.328 10 30 ADEEMO C[C@H](C#N)c1n[nH]c2c1CC[N@@H+](C)C2 74274033 572533050 /nfs/dbraw/zinc/53/30/50/572533050.db2.gz CWCMIBKVUQSYJP-SSDOTTSWSA-N 1 1 190.250 1.025 10 30 ADEEMO C[C@H](C#N)c1[nH]nc2c1CC[N@H+](C)C2 74274033 572533055 /nfs/dbraw/zinc/53/30/55/572533055.db2.gz CWCMIBKVUQSYJP-SSDOTTSWSA-N 1 1 190.250 1.025 10 30 ADEEMO C[C@H](C#N)c1[nH]nc2c1CC[N@@H+](C)C2 74274033 572533059 /nfs/dbraw/zinc/53/30/59/572533059.db2.gz CWCMIBKVUQSYJP-SSDOTTSWSA-N 1 1 190.250 1.025 10 30 ADEEMO C[C@@H](C#N)c1[nH]nc2c1C[N@@H+](C)CC2 74274026 572533184 /nfs/dbraw/zinc/53/31/84/572533184.db2.gz OHPLBJOEEAJNTC-ZETCQYMHSA-N 1 1 190.250 1.025 10 30 ADEEMO C[C@@H](C#N)c1n[nH]c2c1C[N@@H+](C)CC2 74274026 572533191 /nfs/dbraw/zinc/53/31/91/572533191.db2.gz OHPLBJOEEAJNTC-ZETCQYMHSA-N 1 1 190.250 1.025 10 30 ADEEMO C#C[C@](CC)(CO)[N@@H+](C)C(C)(C)C 238294818 572533249 /nfs/dbraw/zinc/53/32/49/572533249.db2.gz YTGJIWSMACOIJE-NSHDSACASA-N 1 1 183.295 1.491 10 30 ADEEMO C#C[C@](CC)(CO)[N@@H+](C)C(C)C 238294842 572533306 /nfs/dbraw/zinc/53/33/06/572533306.db2.gz LSFRURWMSPEGCG-JTQLQIEISA-N 1 1 169.268 1.101 10 30 ADEEMO C#CCN(CC)c1ccc(N)[nH+]c1 307438183 572533538 /nfs/dbraw/zinc/53/35/38/572533538.db2.gz RISDEEXFVWDHIB-UHFFFAOYSA-N 1 1 175.235 1.123 10 30 ADEEMO C[C@H](C#N)c1[nH]nc2c1C[N@@H+](C)CC2 74274027 572534009 /nfs/dbraw/zinc/53/40/09/572534009.db2.gz OHPLBJOEEAJNTC-SSDOTTSWSA-N 1 1 190.250 1.025 10 30 ADEEMO C[C@H](C#N)c1n[nH]c2c1C[N@H+](C)CC2 74274027 572534012 /nfs/dbraw/zinc/53/40/12/572534012.db2.gz OHPLBJOEEAJNTC-SSDOTTSWSA-N 1 1 190.250 1.025 10 30 ADEEMO C[C@H](C#N)c1n[nH]c2c1C[N@@H+](C)CC2 74274027 572534016 /nfs/dbraw/zinc/53/40/16/572534016.db2.gz OHPLBJOEEAJNTC-SSDOTTSWSA-N 1 1 190.250 1.025 10 30 ADEEMO N#Cc1c(F)ccc2nc(C[NH3+])oc12 74273675 572534123 /nfs/dbraw/zinc/53/41/23/572534123.db2.gz AIAANOYVOULOEZ-UHFFFAOYSA-N 1 1 191.165 1.297 10 30 ADEEMO C#CCCC[N@H+]1CCC[C@H]2C[C@H]21 307441265 572534540 /nfs/dbraw/zinc/53/45/40/572534540.db2.gz ZVMYVXCHEIPKGK-WDEREUQCSA-N 1 1 163.264 1.884 10 30 ADEEMO C[C@@H](C#N)c1n[nH]c2c1CC[N@@H+](C)C2 74274030 572534597 /nfs/dbraw/zinc/53/45/97/572534597.db2.gz CWCMIBKVUQSYJP-ZETCQYMHSA-N 1 1 190.250 1.025 10 30 ADEEMO C[C@@H](C#N)c1[nH]nc2c1CC[N@H+](C)C2 74274030 572534601 /nfs/dbraw/zinc/53/46/01/572534601.db2.gz CWCMIBKVUQSYJP-ZETCQYMHSA-N 1 1 190.250 1.025 10 30 ADEEMO C[C@@H](C#N)c1[nH]nc2c1CC[N@@H+](C)C2 74274030 572534603 /nfs/dbraw/zinc/53/46/03/572534603.db2.gz CWCMIBKVUQSYJP-ZETCQYMHSA-N 1 1 190.250 1.025 10 30 ADEEMO CC(C)[N@H+]1CCCN(C)[C@@H](CC#N)C1 250787543 572534900 /nfs/dbraw/zinc/53/49/00/572534900.db2.gz YVIMRZAQSVNNGT-NSHDSACASA-N 1 1 195.310 1.315 10 30 ADEEMO C#CC[NH2+][C@H](CN)C1CCCCCC1 84328888 572535129 /nfs/dbraw/zinc/53/51/29/572535129.db2.gz GCVWYVACKOQQII-GFCCVEGCSA-N 1 1 194.322 1.507 10 30 ADEEMO CC[C@H](C)[C@@H]([NH3+])c1nnc(CC#N)o1 238295985 572535966 /nfs/dbraw/zinc/53/59/66/572535966.db2.gz FLMABSXFOZNYJL-POYBYMJQSA-N 1 1 194.238 1.182 10 30 ADEEMO C=CC(C)(C)C[N@@H+]1CCNC[C@@H]1C 307493297 572536312 /nfs/dbraw/zinc/53/63/12/572536312.db2.gz QNEDCGDIZXCBPZ-JTQLQIEISA-N 1 1 182.311 1.492 10 30 ADEEMO C=CC(C)(C)CN1CC[NH2+]C[C@@H]1C 307493297 572536316 /nfs/dbraw/zinc/53/63/16/572536316.db2.gz QNEDCGDIZXCBPZ-JTQLQIEISA-N 1 1 182.311 1.492 10 30 ADEEMO C#CC[N@H+](CC)[C@H]1CCO[C@H]1C 307435424 572536401 /nfs/dbraw/zinc/53/64/01/572536401.db2.gz KOQMQYSSGSEURN-UWVGGRQHSA-N 1 1 167.252 1.119 10 30 ADEEMO C=C[C@@H](C)[N@H+](C)CCOC 307459171 572536415 /nfs/dbraw/zinc/53/64/15/572536415.db2.gz DOUZFWBNSJQAKR-MRVPVSSYSA-N 1 1 143.230 1.139 10 30 ADEEMO Cc1[nH]c2cc[nH+]cc2c1[C@H](O)C=O 74275023 572536499 /nfs/dbraw/zinc/53/64/99/572536499.db2.gz NNMWHNIBQYTNPE-SECBINFHSA-N 1 1 190.202 1.104 10 30 ADEEMO CC(C)C[C@H]1CC[N@@H+](CCC=O)C1 307791469 572536979 /nfs/dbraw/zinc/53/69/79/572536979.db2.gz RAGIFAWBADTWDV-LLVKDONJSA-N 1 1 183.295 1.943 10 30 ADEEMO C=C[C@@H]1CCCC[N@@H+]1CC(C)(C)[NH3+] 307410387 572537353 /nfs/dbraw/zinc/53/73/53/572537353.db2.gz ORZFAAUNYRNANI-SNVBAGLBSA-N 1 1 182.311 1.764 10 30 ADEEMO C=C(C)C[N@@H+](CC)CC1COC1 308052890 572537457 /nfs/dbraw/zinc/53/74/57/572537457.db2.gz STIBCYINCXPRQF-UHFFFAOYSA-N 1 1 169.268 1.531 10 30 ADEEMO C=CC[N@H+]1C[C@@H]2C[C@@H]3C=C[C@]32C1 307419405 572537696 /nfs/dbraw/zinc/53/76/96/572537696.db2.gz HWMWYRWHEOCQSK-DCAQKATOSA-N 1 1 161.248 1.680 10 30 ADEEMO C=CC[NH2+][C@H](C[NH3+])[C@H]1CCC[C@@H](C)C1 84342794 572538253 /nfs/dbraw/zinc/53/82/53/572538253.db2.gz CJLWBBKNLNEHBI-GRYCIOLGSA-N 1 1 196.338 1.916 10 30 ADEEMO C=CC[NH2+][C@H](C[NH3+])[C@@H]1CCC[C@H](C)C1 84342799 572538290 /nfs/dbraw/zinc/53/82/90/572538290.db2.gz CJLWBBKNLNEHBI-QJPTWQEYSA-N 1 1 196.338 1.916 10 30 ADEEMO C[C@@H](CN(C)C)[N@@H+]1CC[C@H](CC#N)C1 714002837 572538276 /nfs/dbraw/zinc/53/82/76/572538276.db2.gz SNFCORTYKSENSR-QWRGUYRKSA-N 1 1 195.310 1.172 10 30 ADEEMO C[C@@H](CN(C)C)[N@H+]1CC[C@H](CC#N)C1 714002837 572538277 /nfs/dbraw/zinc/53/82/77/572538277.db2.gz SNFCORTYKSENSR-QWRGUYRKSA-N 1 1 195.310 1.172 10 30 ADEEMO C[C@H](CN(C)C)[N@@H+]1CC[C@H](CC#N)C1 714002836 572538575 /nfs/dbraw/zinc/53/85/75/572538575.db2.gz SNFCORTYKSENSR-MNOVXSKESA-N 1 1 195.310 1.172 10 30 ADEEMO C[C@H](CN(C)C)[N@H+]1CC[C@H](CC#N)C1 714002836 572538581 /nfs/dbraw/zinc/53/85/81/572538581.db2.gz SNFCORTYKSENSR-MNOVXSKESA-N 1 1 195.310 1.172 10 30 ADEEMO C#CC[NH2+][C@H](CN)C1CCC(C)CC1 84339340 572538656 /nfs/dbraw/zinc/53/86/56/572538656.db2.gz KXFNDHMZHWUTOF-HTAVTVPLSA-N 1 1 194.322 1.363 10 30 ADEEMO CC[C@@H](C=O)[NH2+][C@@H]1CCCCC1=O 238295702 572538663 /nfs/dbraw/zinc/53/86/63/572538663.db2.gz CEIRCANRMAZTKS-DTWKUNHWSA-N 1 1 183.251 1.065 10 30 ADEEMO CC#C[C@]1(O)CCC[N@H+](C(C)C)CC1 307454162 572538687 /nfs/dbraw/zinc/53/86/87/572538687.db2.gz WAOMUGTYCPSCNV-LBPRGKRZSA-N 1 1 195.306 1.635 10 30 ADEEMO C=CC[NH2+][C@H](C[NH3+])[C@H]1CCC[C@H](C)C1 84342795 572538896 /nfs/dbraw/zinc/53/88/96/572538896.db2.gz CJLWBBKNLNEHBI-SDDRHHMPSA-N 1 1 196.338 1.916 10 30 ADEEMO C[C@@H](CN(C)C)[N@@H+]1CC[C@@H](CC#N)C1 714002839 572538928 /nfs/dbraw/zinc/53/89/28/572538928.db2.gz SNFCORTYKSENSR-WDEREUQCSA-N 1 1 195.310 1.172 10 30 ADEEMO C[C@@H](CN(C)C)[N@H+]1CC[C@@H](CC#N)C1 714002839 572538935 /nfs/dbraw/zinc/53/89/35/572538935.db2.gz SNFCORTYKSENSR-WDEREUQCSA-N 1 1 195.310 1.172 10 30 ADEEMO C#CC[NH2+][C@@H](CN)C1CCC(C)CC1 84339341 572539437 /nfs/dbraw/zinc/53/94/37/572539437.db2.gz KXFNDHMZHWUTOF-MCIGGMRASA-N 1 1 194.322 1.363 10 30 ADEEMO C=CC[NH2+][C@H](C[NH3+])[C@@H]1CCC[C@@H](C)C1 84342796 572539637 /nfs/dbraw/zinc/53/96/37/572539637.db2.gz CJLWBBKNLNEHBI-IJLUTSLNSA-N 1 1 196.338 1.916 10 30 ADEEMO CC[C@H](CCCCO)[N@@H+](C)CCC#N 238298788 572540160 /nfs/dbraw/zinc/54/01/60/572540160.db2.gz DEIYUKLYJOIOEN-LLVKDONJSA-N 1 1 198.310 1.773 10 30 ADEEMO C=CCOC(=O)[C@H]([NH2+]C)[C@@H](C)CC 238298211 572540367 /nfs/dbraw/zinc/54/03/67/572540367.db2.gz AYPMWYGVZNVKOF-DTWKUNHWSA-N 1 1 185.267 1.350 10 30 ADEEMO C/C=C/C=[NH+]\[C@@H](CC)CO 307794742 572540772 /nfs/dbraw/zinc/54/07/72/572540772.db2.gz KCCKNJPKWYAPPR-JPYCCSPVSA-N 1 1 141.214 1.404 10 30 ADEEMO CCC1(O)C[NH+](CC2(CC#N)CC2)C1 84359287 572540907 /nfs/dbraw/zinc/54/09/07/572540907.db2.gz LJWWBEQVJPMAAZ-UHFFFAOYSA-N 1 1 194.278 1.137 10 30 ADEEMO C=CCC[N@@H+]1CCN(C)CC[C@@H]1C 307510168 572541075 /nfs/dbraw/zinc/54/10/75/572541075.db2.gz OERSRESIWJLLRH-NSHDSACASA-N 1 1 182.311 1.589 10 30 ADEEMO C/C=C/C=[NH+]\[C@H](CC)CO 307794740 572541649 /nfs/dbraw/zinc/54/16/49/572541649.db2.gz KCCKNJPKWYAPPR-FQZRHMCISA-N 1 1 141.214 1.404 10 30 ADEEMO C=C(C)C[NH+]1CC(O)(CCC)C1 84374721 572541672 /nfs/dbraw/zinc/54/16/72/572541672.db2.gz PINWJONRFFMHQY-UHFFFAOYSA-N 1 1 169.268 1.409 10 30 ADEEMO C#CC[N@@H+](CC)C/C=C\C 307796458 572541738 /nfs/dbraw/zinc/54/17/38/572541738.db2.gz UGFSLDVOPFZSSR-DAXSKMNVSA-N 1 1 137.226 1.518 10 30 ADEEMO CCC1(O)C[NH+](CCC(C)(C)C#N)C1 84360612 572541895 /nfs/dbraw/zinc/54/18/95/572541895.db2.gz MEUAFDQGHAPUPS-UHFFFAOYSA-N 1 1 196.294 1.383 10 30 ADEEMO C=C(C)C[N@@H+]1C[C@H](C)[C@H]1C 307554283 572542262 /nfs/dbraw/zinc/54/22/62/572542262.db2.gz MEAPLLQPOZZPLW-DTWKUNHWSA-N 1 1 139.242 1.903 10 30 ADEEMO C=C[C@@H](C)[NH+]1CC(O)(CCC)C1 84363328 572542488 /nfs/dbraw/zinc/54/24/88/572542488.db2.gz SAIOPNIPUVXJIX-SECBINFHSA-N 1 1 169.268 1.408 10 30 ADEEMO C#C[C@](C)(CC)[N@H+]1CCN[C@@H](CC)C1 307593909 572543064 /nfs/dbraw/zinc/54/30/64/572543064.db2.gz JPTVPAAYDPQOEL-NWDGAFQWSA-N 1 1 194.322 1.472 10 30 ADEEMO C#C[C@](C)(CC)[N@@H+]1CCN[C@@H](CC)C1 307593909 572543068 /nfs/dbraw/zinc/54/30/68/572543068.db2.gz JPTVPAAYDPQOEL-NWDGAFQWSA-N 1 1 194.322 1.472 10 30 ADEEMO C=CCC/C(C)=[NH+]/CCO 307794546 572543070 /nfs/dbraw/zinc/54/30/70/572543070.db2.gz JWERJGYJOZQWCO-CMDGGOBGSA-N 1 1 141.214 1.406 10 30 ADEEMO C=C[C@H](C)[NH+]1CC(O)(CCC)C1 84363325 572543103 /nfs/dbraw/zinc/54/31/03/572543103.db2.gz SAIOPNIPUVXJIX-VIFPVBQESA-N 1 1 169.268 1.408 10 30 ADEEMO C=C[C@@H](C)C[N@H+](C)CC#CC 307562390 572543212 /nfs/dbraw/zinc/54/32/12/572543212.db2.gz KTJXPTMASTVHOV-SNVBAGLBSA-N 1 1 151.253 1.764 10 30 ADEEMO N#C[C@]1([NH3+])CCC[C@H](COC2CC2)C1 713280261 572543664 /nfs/dbraw/zinc/54/36/64/572543664.db2.gz LDBKVDXPMAFEHE-ONGXEEELSA-N 1 1 194.278 1.577 10 30 ADEEMO C=C1CCN(C[C@H]2C[NH2+]C[C@@H]2C)CC1 307584418 572543709 /nfs/dbraw/zinc/54/37/09/572543709.db2.gz IHCUVAUBZFCYPQ-NWDGAFQWSA-N 1 1 194.322 1.494 10 30 ADEEMO C#CCC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C 307513772 572544078 /nfs/dbraw/zinc/54/40/78/572544078.db2.gz ZEZBDTFBMKPFTJ-SRVKXCTJSA-N 1 1 194.322 1.315 10 30 ADEEMO C=CC[C@@H]1[C@@H](O)CC[C@H]2CCCC[N@H+]21 307536278 572544175 /nfs/dbraw/zinc/54/41/75/572544175.db2.gz ILYBRXYPKMSBHW-UTUOFQBUSA-N 1 1 195.306 1.940 10 30 ADEEMO C=CC(C)(C)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 307566158 572544220 /nfs/dbraw/zinc/54/42/20/572544220.db2.gz SGBDOVUYXMSMLG-QWRGUYRKSA-N 1 1 196.338 1.868 10 30 ADEEMO C=CCC[N@@H+]1CCNC[C@@H](C)C1 307597596 572544242 /nfs/dbraw/zinc/54/42/42/572544242.db2.gz NVCVTEDBEZHMDN-SNVBAGLBSA-N 1 1 168.284 1.104 10 30 ADEEMO C=CCCN1CC[NH2+]C[C@@H](C)C1 307597596 572544245 /nfs/dbraw/zinc/54/42/45/572544245.db2.gz NVCVTEDBEZHMDN-SNVBAGLBSA-N 1 1 168.284 1.104 10 30 ADEEMO C#C[C@@](CC)(CO)[N@@H+](C)C(C)C 238301511 572544349 /nfs/dbraw/zinc/54/43/49/572544349.db2.gz LSFRURWMSPEGCG-SNVBAGLBSA-N 1 1 169.268 1.101 10 30 ADEEMO C#C[C@@](CC)(CO)[N@@H+](C)C(C)(C)C 238301503 572544376 /nfs/dbraw/zinc/54/43/76/572544376.db2.gz YTGJIWSMACOIJE-LLVKDONJSA-N 1 1 183.295 1.491 10 30 ADEEMO CC#CCC[C@@]1(O)CC[N@H+](CC)C1 307596375 572544777 /nfs/dbraw/zinc/54/47/77/572544777.db2.gz MAKPBPGOASUNGS-LLVKDONJSA-N 1 1 181.279 1.247 10 30 ADEEMO C=C1C[N@@H+](C2CC2)C[C@H]2CCCCN12 307527597 572544887 /nfs/dbraw/zinc/54/48/87/572544887.db2.gz JNWHOEUJAGYTOV-GFCCVEGCSA-N 1 1 192.306 1.833 10 30 ADEEMO C=C1C[N@H+](C2CC2)C[C@H]2CCCCN12 307527597 572544891 /nfs/dbraw/zinc/54/48/91/572544891.db2.gz JNWHOEUJAGYTOV-GFCCVEGCSA-N 1 1 192.306 1.833 10 30 ADEEMO C#C[C@](C)(CC)[N@@H+]1C[C@H](C)NC[C@@H]1C 307506074 572544977 /nfs/dbraw/zinc/54/49/77/572544977.db2.gz LLJTUQLQZBSRQF-SDDRHHMPSA-N 1 1 194.322 1.471 10 30 ADEEMO C#C[C@](C)(CC)[N@H+]1C[C@H](C)NC[C@@H]1C 307506074 572544981 /nfs/dbraw/zinc/54/49/81/572544981.db2.gz LLJTUQLQZBSRQF-SDDRHHMPSA-N 1 1 194.322 1.471 10 30 ADEEMO C=C(COC)[C@]1(O)CC[N@@H+](C)[C@H](C)C1 307594225 572546191 /nfs/dbraw/zinc/54/61/91/572546191.db2.gz IIXNAWGPUVTCOG-MNOVXSKESA-N 1 1 199.294 1.034 10 30 ADEEMO C#C[C@@H](c1ccccc1)[N@@H+](C)CCO 238312892 572546354 /nfs/dbraw/zinc/54/63/54/572546354.db2.gz AENNQVQYJJOQIB-LBPRGKRZSA-N 1 1 189.258 1.285 10 30 ADEEMO C#C[C@](C)(CC)[N@H+]1CCN[C@H](CC)C1 307593911 572546468 /nfs/dbraw/zinc/54/64/68/572546468.db2.gz JPTVPAAYDPQOEL-VXGBXAGGSA-N 1 1 194.322 1.472 10 30 ADEEMO C#C[C@](C)(CC)[N@@H+]1CCN[C@H](CC)C1 307593911 572546473 /nfs/dbraw/zinc/54/64/73/572546473.db2.gz JPTVPAAYDPQOEL-VXGBXAGGSA-N 1 1 194.322 1.472 10 30 ADEEMO CC[C@H]1CCC[N@H+]1CC[C@H]1CO1 308059901 572546966 /nfs/dbraw/zinc/54/69/66/572546966.db2.gz VXORIYRJRAJIKO-UWVGGRQHSA-N 1 1 169.268 1.650 10 30 ADEEMO C=CCC#CC(C)(C)[N@@H+](C)CCO 238310178 572547216 /nfs/dbraw/zinc/54/72/16/572547216.db2.gz ROAQFNNFIFCSJO-UHFFFAOYSA-N 1 1 181.279 1.269 10 30 ADEEMO CC#CC[N@H+]1C[C@H](C)[C@H](O)C[C@@H]1C 307537753 572547317 /nfs/dbraw/zinc/54/73/17/572547317.db2.gz JLVNHLHVVUNEJX-GARJFASQSA-N 1 1 181.279 1.101 10 30 ADEEMO CC[C@H]1CCC[N@H+]1CC[C@@H]1CO1 308059902 572547343 /nfs/dbraw/zinc/54/73/43/572547343.db2.gz VXORIYRJRAJIKO-VHSXEESVSA-N 1 1 169.268 1.650 10 30 ADEEMO C=C1CCN(C[C@@H]2C[NH2+]C[C@@H]2C)CC1 307584419 572549167 /nfs/dbraw/zinc/54/91/67/572549167.db2.gz IHCUVAUBZFCYPQ-RYUDHWBXSA-N 1 1 194.322 1.494 10 30 ADEEMO CC[C@H](C=O)[NH2+][C@@H]1CCCCC1=O 238309198 572548055 /nfs/dbraw/zinc/54/80/55/572548055.db2.gz CEIRCANRMAZTKS-RKDXNWHRSA-N 1 1 183.251 1.065 10 30 ADEEMO CC[C@@H]1CCC[N@H+]1CC[C@@H]1CO1 308059900 572548190 /nfs/dbraw/zinc/54/81/90/572548190.db2.gz VXORIYRJRAJIKO-NXEZZACHSA-N 1 1 169.268 1.650 10 30 ADEEMO CC[C@@H]1CCC[N@H+]1CC[C@H]1CO1 308059903 572548196 /nfs/dbraw/zinc/54/81/96/572548196.db2.gz VXORIYRJRAJIKO-ZJUUUORDSA-N 1 1 169.268 1.650 10 30 ADEEMO C[C@@H](CC#N)[N@H+](C)[C@@H]1CCOC1 69622594 572548227 /nfs/dbraw/zinc/54/82/27/572548227.db2.gz BRJYZIGUMNQSDF-DTWKUNHWSA-N 1 1 168.240 1.009 10 30 ADEEMO C[C@@H](CC#N)[N@@H+](C)[C@@H]1CCOC1 69622594 572548231 /nfs/dbraw/zinc/54/82/31/572548231.db2.gz BRJYZIGUMNQSDF-DTWKUNHWSA-N 1 1 168.240 1.009 10 30 ADEEMO C=C[C@@H](C)[N@@H+]1CCO[C@@H](CC)C1 307583821 572548715 /nfs/dbraw/zinc/54/87/15/572548715.db2.gz ZYLMONGBMQVMBZ-ZJUUUORDSA-N 1 1 169.268 1.672 10 30 ADEEMO CC#CCC[C@]1(O)CC[N@H+](CC)C1 307596376 572548804 /nfs/dbraw/zinc/54/88/04/572548804.db2.gz MAKPBPGOASUNGS-NSHDSACASA-N 1 1 181.279 1.247 10 30 ADEEMO C[N@@H+](CC[C@H]1CO1)CC1CCC1 308059898 572549076 /nfs/dbraw/zinc/54/90/76/572549076.db2.gz VXBXUTIELJZENX-JTQLQIEISA-N 1 1 169.268 1.507 10 30 ADEEMO C=C[C@H](C)[N@H+]1C[C@@H](C)[C@H]1C 307507817 572549147 /nfs/dbraw/zinc/54/91/47/572549147.db2.gz NDMSZPCGHVGNOD-HRDYMLBCSA-N 1 1 139.242 1.901 10 30 ADEEMO C=C1CN(C2CC2)C[C@@H]2CCCC[N@@H+]12 307527601 572549244 /nfs/dbraw/zinc/54/92/44/572549244.db2.gz JNWHOEUJAGYTOV-LBPRGKRZSA-N 1 1 192.306 1.833 10 30 ADEEMO C=C1C[N@@H+](C2CC2)C[C@@H]2CCCCN12 307527601 572549251 /nfs/dbraw/zinc/54/92/51/572549251.db2.gz JNWHOEUJAGYTOV-LBPRGKRZSA-N 1 1 192.306 1.833 10 30 ADEEMO C=C1C[N@H+](C2CC2)C[C@@H]2CCCCN12 307527601 572549255 /nfs/dbraw/zinc/54/92/55/572549255.db2.gz JNWHOEUJAGYTOV-LBPRGKRZSA-N 1 1 192.306 1.833 10 30 ADEEMO C[C@H](C=O)[N@H+](C)CCOCC1CCC1 714495735 572551723 /nfs/dbraw/zinc/55/17/23/572551723.db2.gz KHXDRNGWFRBDJE-SNVBAGLBSA-N 1 1 199.294 1.322 10 30 ADEEMO C[C@H]1C[NH+](CCCCC#N)C[C@H](C)N1 69629089 572550506 /nfs/dbraw/zinc/55/05/06/572550506.db2.gz AKFZCTFCDVGJOD-QWRGUYRKSA-N 1 1 195.310 1.362 10 30 ADEEMO CCC[NH+]=Cc1cc(=O)[nH]c(=S)[nH]1 308060846 572550683 /nfs/dbraw/zinc/55/06/83/572550683.db2.gz RYUZACFYZRCQPY-UITAMQMPSA-N 1 1 197.263 1.674 10 30 ADEEMO CC(C)C[C@H]1CC[N@@H+](CC=O)C1 307801176 572551147 /nfs/dbraw/zinc/55/11/47/572551147.db2.gz XNOMWTLQSFQGHK-SNVBAGLBSA-N 1 1 169.268 1.553 10 30 ADEEMO C#C[C@H](c1ccccc1)[N@@H+](C)CCO 238313057 572551275 /nfs/dbraw/zinc/55/12/75/572551275.db2.gz AENNQVQYJJOQIB-GFCCVEGCSA-N 1 1 189.258 1.285 10 30 ADEEMO C[C@@H](C=O)[N@H+](C)CCOCC1CCC1 714495732 572551278 /nfs/dbraw/zinc/55/12/78/572551278.db2.gz KHXDRNGWFRBDJE-JTQLQIEISA-N 1 1 199.294 1.322 10 30 ADEEMO C[C@@H](C=O)[N@@H+](C)CCOCC1CCC1 714495732 572551283 /nfs/dbraw/zinc/55/12/83/572551283.db2.gz KHXDRNGWFRBDJE-JTQLQIEISA-N 1 1 199.294 1.322 10 30 ADEEMO C#C[C@@](C)(CC)[N@H+]1CCN[C@H](CC)C1 307593908 572551292 /nfs/dbraw/zinc/55/12/92/572551292.db2.gz JPTVPAAYDPQOEL-NEPJUHHUSA-N 1 1 194.322 1.472 10 30 ADEEMO C#C[C@@](C)(CC)[N@@H+]1CCN[C@H](CC)C1 307593908 572551295 /nfs/dbraw/zinc/55/12/95/572551295.db2.gz JPTVPAAYDPQOEL-NEPJUHHUSA-N 1 1 194.322 1.472 10 30 ADEEMO CC(C)C[C@@H]1CC[N@@H+](CC=O)C1 307801173 572552842 /nfs/dbraw/zinc/55/28/42/572552842.db2.gz XNOMWTLQSFQGHK-JTQLQIEISA-N 1 1 169.268 1.553 10 30 ADEEMO C=C[C@H](C)[N@H+]1C[C@@H](C)[C@@H]1C 307507819 572551639 /nfs/dbraw/zinc/55/16/39/572551639.db2.gz NDMSZPCGHVGNOD-VGMNWLOBSA-N 1 1 139.242 1.901 10 30 ADEEMO C[C@H](C=O)[N@@H+](C)CCOCC1CCC1 714495735 572551729 /nfs/dbraw/zinc/55/17/29/572551729.db2.gz KHXDRNGWFRBDJE-SNVBAGLBSA-N 1 1 199.294 1.322 10 30 ADEEMO C=C[C@H](C)[N@H+]1CC[C@@](O)(C2CC2)C1 307572777 572551743 /nfs/dbraw/zinc/55/17/43/572551743.db2.gz ZIRKPNVHKWABCL-ONGXEEELSA-N 1 1 181.279 1.408 10 30 ADEEMO C=C[C@@H](C)O[NH+]=C1CCCCN1 307503432 572551775 /nfs/dbraw/zinc/55/17/75/572551775.db2.gz OOVQKGFMSPOCDO-MRVPVSSYSA-N 1 1 168.240 1.665 10 30 ADEEMO COCC1CC[NH+](C[C@H](C)C#N)CC1 69631691 572552417 /nfs/dbraw/zinc/55/24/17/572552417.db2.gz KGXFKFKMWKUHQP-SNVBAGLBSA-N 1 1 196.294 1.504 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)CC=C 307530544 572552284 /nfs/dbraw/zinc/55/22/84/572552284.db2.gz VUVAJGCNLIONJJ-QMMMGPOBSA-N 1 1 123.199 1.126 10 30 ADEEMO C#CC[NH2+][C@H](C)c1cnc(C)cn1 307563954 572553151 /nfs/dbraw/zinc/55/31/51/572553151.db2.gz BAOMRYWRCOFQTQ-SECBINFHSA-N 1 1 175.235 1.069 10 30 ADEEMO C=CC(C)(C)CNc1nc(N)cc[nH+]1 307599308 572553342 /nfs/dbraw/zinc/55/33/42/572553342.db2.gz QVMRNJMTWYCQFF-UHFFFAOYSA-N 1 1 192.266 1.683 10 30 ADEEMO C=CCC[N@@H+]1CCN(C)CC[C@H]1C 307510156 572553388 /nfs/dbraw/zinc/55/33/88/572553388.db2.gz OERSRESIWJLLRH-LLVKDONJSA-N 1 1 182.311 1.589 10 30 ADEEMO C#CCC[N@H+]1CCS[C@@H]2CCC[C@H]21 307526042 572554191 /nfs/dbraw/zinc/55/41/91/572554191.db2.gz CFZSUOXAXPWAOP-GHMZBOCLSA-N 1 1 195.331 1.980 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)CC1=CCCOC1 307589525 572553574 /nfs/dbraw/zinc/55/35/74/572553574.db2.gz FUSZGFIJJRWCKJ-JTQLQIEISA-N 1 1 179.263 1.287 10 30 ADEEMO C=C(C[NH3+])C[N@@H+]1CC[C@@H](CC(C)C)C1 307805941 572553656 /nfs/dbraw/zinc/55/36/56/572553656.db2.gz MVSKKYNCLZPBAS-LBPRGKRZSA-N 1 1 196.338 1.869 10 30 ADEEMO CC/C=[NH+]\[C@H](CO)C(C)C 307805392 572553808 /nfs/dbraw/zinc/55/38/08/572553808.db2.gz BDCXTVHYGOCCNL-CPJBWDMUSA-N 1 1 143.230 1.484 10 30 ADEEMO C=C(Cl)C[N@H+]1CC[C@H](O)C[C@@H]1C 307575086 572553953 /nfs/dbraw/zinc/55/39/53/572553953.db2.gz JALRWGLEVDLRBO-IUCAKERBSA-N 1 1 189.686 1.584 10 30 ADEEMO C=C(Cl)C[N@@H+]1CC[C@H](O)C[C@@H]1C 307575086 572553958 /nfs/dbraw/zinc/55/39/58/572553958.db2.gz JALRWGLEVDLRBO-IUCAKERBSA-N 1 1 189.686 1.584 10 30 ADEEMO CC/C=[NH+]\[C@@H](CO)C(C)C 307805393 572554338 /nfs/dbraw/zinc/55/43/38/572554338.db2.gz BDCXTVHYGOCCNL-HXOPTJOXSA-N 1 1 143.230 1.484 10 30 ADEEMO C#CCC[N@H+]1CCS[C@H]2CCC[C@@H]21 307526047 572554770 /nfs/dbraw/zinc/55/47/70/572554770.db2.gz CFZSUOXAXPWAOP-QWRGUYRKSA-N 1 1 195.331 1.980 10 30 ADEEMO CSCCC[N@@H+](C)CC[C@@H]1CO1 308059434 572555244 /nfs/dbraw/zinc/55/52/44/572555244.db2.gz VUIRQTZVHLGDCZ-SECBINFHSA-N 1 1 189.324 1.460 10 30 ADEEMO CSCCC[N@@H+](C)CC[C@H]1CO1 308059436 572555324 /nfs/dbraw/zinc/55/53/24/572555324.db2.gz VUIRQTZVHLGDCZ-VIFPVBQESA-N 1 1 189.324 1.460 10 30 ADEEMO C/C(=[NH+]/CCO)C(C)(C)C 307806747 572555436 /nfs/dbraw/zinc/55/54/36/572555436.db2.gz NCXWFSKRZBUVHQ-CLFYSBASSA-N 1 1 143.230 1.486 10 30 ADEEMO C=C(C[NH3+])C[N@@H+]1CC[C@H](CC(C)C)C1 307805939 572555800 /nfs/dbraw/zinc/55/58/00/572555800.db2.gz MVSKKYNCLZPBAS-GFCCVEGCSA-N 1 1 196.338 1.869 10 30 ADEEMO C=CCC[N@H+](C)CC1CC(O)C1 84454007 572556683 /nfs/dbraw/zinc/55/66/83/572556683.db2.gz MCIGGGLUSBSHHY-UHFFFAOYSA-N 1 1 169.268 1.265 10 30 ADEEMO COC(=O)ONC(=[NH2+])c1ccccc1 238325511 572560521 /nfs/dbraw/zinc/56/05/21/572560521.db2.gz JBZYMQWTDPYDNB-UHFFFAOYSA-N 1 1 194.190 1.090 10 30 ADEEMO C#C[C@@H](C)[N@H+](C)CCC 307548703 572557521 /nfs/dbraw/zinc/55/75/21/572557521.db2.gz MTMULEPTVWPBGT-MRVPVSSYSA-N 1 1 125.215 1.350 10 30 ADEEMO C[N@@H+](CCCCC#N)CC1CC(O)C1 84451962 572557843 /nfs/dbraw/zinc/55/78/43/572557843.db2.gz MJMCWNVTSRVASQ-UHFFFAOYSA-N 1 1 196.294 1.383 10 30 ADEEMO C=CCC(=O)[C@H]([NH3+])c1ccccc1 124014443 572558344 /nfs/dbraw/zinc/55/83/44/572558344.db2.gz NYMSMAFNUJDMFB-LLVKDONJSA-N 1 1 175.231 1.832 10 30 ADEEMO CC[C@H](CC#N)[N@@H+](C)CC1CC(O)C1 84451976 572558945 /nfs/dbraw/zinc/55/89/45/572558945.db2.gz UWSPZPHUEXEHHH-HSOILSAZSA-N 1 1 196.294 1.381 10 30 ADEEMO CC[C@@H](CC#N)[N@@H+](C)CC1CC(O)C1 84451975 572559131 /nfs/dbraw/zinc/55/91/31/572559131.db2.gz UWSPZPHUEXEHHH-YVNMAJEFSA-N 1 1 196.294 1.381 10 30 ADEEMO C=CC[N@H+](C)CC1CCC1 307553074 572559162 /nfs/dbraw/zinc/55/91/62/572559162.db2.gz LAHQVWCHYRFKSC-UHFFFAOYSA-N 1 1 139.242 1.904 10 30 ADEEMO C=C[C@@H](C)[N@@H+](C)CC1CC(O)C1 84453595 572559296 /nfs/dbraw/zinc/55/92/96/572559296.db2.gz SXHADBMGQKRUOM-XNWIYYODSA-N 1 1 169.268 1.264 10 30 ADEEMO C=CCCC[N@H+](C)CC1CC(O)C1 84453839 572559766 /nfs/dbraw/zinc/55/97/66/572559766.db2.gz ULIUDBGFJATBJI-UHFFFAOYSA-N 1 1 183.295 1.655 10 30 ADEEMO C[C@H](CC#N)NC[C@H]1CCCC[N@H+]1C 84494188 572560942 /nfs/dbraw/zinc/56/09/42/572560942.db2.gz QSTLWUYCCPSVHK-GHMZBOCLSA-N 1 1 195.310 1.362 10 30 ADEEMO C[C@H](CC#N)[NH2+]C[C@H]1CCCCN1C 84494188 572560948 /nfs/dbraw/zinc/56/09/48/572560948.db2.gz QSTLWUYCCPSVHK-GHMZBOCLSA-N 1 1 195.310 1.362 10 30 ADEEMO C=C(COC)[C@@]1(O)CC[N@@H+](C)[C@@H](C)C1 307594227 572560985 /nfs/dbraw/zinc/56/09/85/572560985.db2.gz IIXNAWGPUVTCOG-WDEREUQCSA-N 1 1 199.294 1.034 10 30 ADEEMO C#C[C@H](CC)[NH2+][C@@H]1CCn2ccnc21 307591682 572561091 /nfs/dbraw/zinc/56/10/91/572561091.db2.gz HPAOSABVBQVPML-NXEZZACHSA-N 1 1 189.262 1.329 10 30 ADEEMO C=C[C@H]([NH3+])c1occc1C(=O)OC 238325552 572561246 /nfs/dbraw/zinc/56/12/46/572561246.db2.gz ZBIXILOLQBDITB-ZETCQYMHSA-N 1 1 181.191 1.252 10 30 ADEEMO CC(C)[N@H+]1CC[C@H](C#N)C1 45651147 572561785 /nfs/dbraw/zinc/56/17/85/572561785.db2.gz WVXBJIJBNVYZCD-MRVPVSSYSA-N 1 1 138.214 1.240 10 30 ADEEMO C[C@H](CC#N)NC[C@@H]1CCCC[N@H+]1C 84494186 572561857 /nfs/dbraw/zinc/56/18/57/572561857.db2.gz QSTLWUYCCPSVHK-MNOVXSKESA-N 1 1 195.310 1.362 10 30 ADEEMO C[C@H](CC#N)[NH2+]C[C@@H]1CCCCN1C 84494186 572561860 /nfs/dbraw/zinc/56/18/60/572561860.db2.gz QSTLWUYCCPSVHK-MNOVXSKESA-N 1 1 195.310 1.362 10 30 ADEEMO C=CCN1CC[C@@H]([N@H+](C)CC)C1 308062369 572563113 /nfs/dbraw/zinc/56/31/13/572563113.db2.gz WXLBXSBBTDGPAT-SNVBAGLBSA-N 1 1 168.284 1.198 10 30 ADEEMO C=CCN1CC[C@H]([N@H+](C)CC)C1 308062358 572563266 /nfs/dbraw/zinc/56/32/66/572563266.db2.gz WXLBXSBBTDGPAT-JTQLQIEISA-N 1 1 168.284 1.198 10 30 ADEEMO CC(C)[N@H+]1CC[C@@H](C#N)C1 45651149 572563418 /nfs/dbraw/zinc/56/34/18/572563418.db2.gz WVXBJIJBNVYZCD-QMMMGPOBSA-N 1 1 138.214 1.240 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)CC=C 307530539 572564145 /nfs/dbraw/zinc/56/41/45/572564145.db2.gz VUVAJGCNLIONJJ-MRVPVSSYSA-N 1 1 123.199 1.126 10 30 ADEEMO C#CCCC[N@H+]1[C@H]2CC[C@@H]1C[C@@H]([NH3+])C2 306178620 572564679 /nfs/dbraw/zinc/56/46/79/572564679.db2.gz HKJIENGSAKCSDQ-CNDDSTCGSA-N 1 1 192.306 1.354 10 30 ADEEMO CCC[C@H]1CCCC[N@@H+]1C[C@H](N)C#N 214156108 572565088 /nfs/dbraw/zinc/56/50/88/572565088.db2.gz IDDMZACBFBJUFA-MNOVXSKESA-N 1 1 195.310 1.492 10 30 ADEEMO N#CCCCN1CCCC[C@H]1CC[NH3+] 69721114 572565092 /nfs/dbraw/zinc/56/50/92/572565092.db2.gz LWPFSTIGZYFVRJ-NSHDSACASA-N 1 1 195.310 1.493 10 30 ADEEMO CCC[C@H]1CCCC[N@H+]1C[C@H](N)C#N 214156108 572565093 /nfs/dbraw/zinc/56/50/93/572565093.db2.gz IDDMZACBFBJUFA-MNOVXSKESA-N 1 1 195.310 1.492 10 30 ADEEMO C=C[C@@H](CO)Nc1ccc(C)c[nH+]1 306175208 572565227 /nfs/dbraw/zinc/56/52/27/572565227.db2.gz MKTJRCMMDIGRMB-VIFPVBQESA-N 1 1 178.235 1.349 10 30 ADEEMO C[C@@H](CC#N)NC[C@H]1CCCC[N@H+]1C 84494187 572565910 /nfs/dbraw/zinc/56/59/10/572565910.db2.gz QSTLWUYCCPSVHK-WDEREUQCSA-N 1 1 195.310 1.362 10 30 ADEEMO C[C@@H](CC#N)[NH2+]C[C@H]1CCCCN1C 84494187 572565913 /nfs/dbraw/zinc/56/59/13/572565913.db2.gz QSTLWUYCCPSVHK-WDEREUQCSA-N 1 1 195.310 1.362 10 30 ADEEMO CCC/C(C)=[NH+]\CCO 307817684 572565958 /nfs/dbraw/zinc/56/59/58/572565958.db2.gz VGZDUWLHQPFJSY-FPLPWBNLSA-N 1 1 129.203 1.240 10 30 ADEEMO CC(C)[N@H+]1CC[C@@H](C)N[C@H](CC#N)C1 251541765 572566048 /nfs/dbraw/zinc/56/60/48/572566048.db2.gz BMQXCVSPINQFFI-GHMZBOCLSA-N 1 1 195.310 1.361 10 30 ADEEMO C#CCC[N@@H+]1CC[C@H]1CC 307536093 572566138 /nfs/dbraw/zinc/56/61/38/572566138.db2.gz PGBIBIQSRNZPCM-SECBINFHSA-N 1 1 137.226 1.494 10 30 ADEEMO C=C[C@H](C)[N@@H+]1CCO[C@@H](CC)C1 307583819 572566659 /nfs/dbraw/zinc/56/66/59/572566659.db2.gz ZYLMONGBMQVMBZ-UWVGGRQHSA-N 1 1 169.268 1.672 10 30 ADEEMO C=C1CCC[N@H+]([C@H]2CCO[C@H]2C)C1 306199507 572566811 /nfs/dbraw/zinc/56/68/11/572566811.db2.gz KJIPFIYQEIBEEV-QWRGUYRKSA-N 1 1 181.279 1.816 10 30 ADEEMO C=C1C[N@H+]2CC[C@H]1C[C@H]2C(C)=O 306156433 572566864 /nfs/dbraw/zinc/56/68/64/572566864.db2.gz BQWICBSIIGDBJG-UWVGGRQHSA-N 1 1 165.236 1.226 10 30 ADEEMO C=C1C[N@@H+]2CC[C@H]1C[C@H]2C(C)=O 306156433 572566867 /nfs/dbraw/zinc/56/68/67/572566867.db2.gz BQWICBSIIGDBJG-UWVGGRQHSA-N 1 1 165.236 1.226 10 30 ADEEMO C#C[C@@H](CC)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 306156549 572566879 /nfs/dbraw/zinc/56/68/79/572566879.db2.gz DJBJJCAGMDKHLP-NWDGAFQWSA-N 1 1 192.306 1.084 10 30 ADEEMO C#C[C@@H](CC)N1CC[C@@]2(CC[NH2+]C2)C1 306156549 572566885 /nfs/dbraw/zinc/56/68/85/572566885.db2.gz DJBJJCAGMDKHLP-NWDGAFQWSA-N 1 1 192.306 1.084 10 30 ADEEMO CC(C)[N@H+]1CC[C@H](C)N[C@H](CC#N)C1 251541773 572567688 /nfs/dbraw/zinc/56/76/88/572567688.db2.gz BMQXCVSPINQFFI-WDEREUQCSA-N 1 1 195.310 1.361 10 30 ADEEMO C#CC[N@H+](C)[C@@H]1CC1(C)C 307541824 572568033 /nfs/dbraw/zinc/56/80/33/572568033.db2.gz SINVXRMRACPASA-MRVPVSSYSA-N 1 1 137.226 1.350 10 30 ADEEMO C=CC[N@H+]1C[C@H](CC#N)N(C)C[C@@H]1C 251531320 572568690 /nfs/dbraw/zinc/56/86/90/572568690.db2.gz AUGDDNQYLVCDGY-QWRGUYRKSA-N 1 1 193.294 1.091 10 30 ADEEMO C=CC[N@@H+]1C[C@H](CC#N)N(C)C[C@@H]1C 251531320 572568695 /nfs/dbraw/zinc/56/86/95/572568695.db2.gz AUGDDNQYLVCDGY-QWRGUYRKSA-N 1 1 193.294 1.091 10 30 ADEEMO C=CC[N@H+]1C[C@H](CC#N)N(C)C[C@H]1C 251531307 572569146 /nfs/dbraw/zinc/56/91/46/572569146.db2.gz AUGDDNQYLVCDGY-MNOVXSKESA-N 1 1 193.294 1.091 10 30 ADEEMO C=CC[N@@H+]1C[C@H](CC#N)N(C)C[C@H]1C 251531307 572569149 /nfs/dbraw/zinc/56/91/49/572569149.db2.gz AUGDDNQYLVCDGY-MNOVXSKESA-N 1 1 193.294 1.091 10 30 ADEEMO CC#CCN1C[C@@H]2CCC[C@]2(C[NH3+])C1 306149437 572569277 /nfs/dbraw/zinc/56/92/77/572569277.db2.gz BZDIKRBFOKWJDK-RYUDHWBXSA-N 1 1 192.306 1.071 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCC[C@@H](C)[C@H]1CN 69727245 572569581 /nfs/dbraw/zinc/56/95/81/572569581.db2.gz DRHAADFJROXUKV-OUAUKWLOSA-N 1 1 182.311 1.620 10 30 ADEEMO C=C[C@H](C)N1CCC[C@@H](C)[C@H]1C[NH3+] 69727245 572569586 /nfs/dbraw/zinc/56/95/86/572569586.db2.gz DRHAADFJROXUKV-OUAUKWLOSA-N 1 1 182.311 1.620 10 30 ADEEMO C#CC[N@@H+](C)Cc1cccc(N)c1F 306166481 572569722 /nfs/dbraw/zinc/56/97/22/572569722.db2.gz AYUWYDKSSVKRKW-UHFFFAOYSA-N 1 1 192.237 1.473 10 30 ADEEMO C#CC[N@H+](C)Cc1cccc(N)c1F 306166481 572569726 /nfs/dbraw/zinc/56/97/26/572569726.db2.gz AYUWYDKSSVKRKW-UHFFFAOYSA-N 1 1 192.237 1.473 10 30 ADEEMO C#CC[N@@H+]1CC2(CCC2)C[C@H]1C 306161666 572569926 /nfs/dbraw/zinc/56/99/26/572569926.db2.gz GQHDMFQPHRDRDZ-SNVBAGLBSA-N 1 1 163.264 1.884 10 30 ADEEMO CCC[N@@H+](CCS)[C@H]1CCOC1 308065340 572570180 /nfs/dbraw/zinc/57/01/80/572570180.db2.gz YJFBRCRFONNYGF-VIFPVBQESA-N 1 1 189.324 1.417 10 30 ADEEMO C#CC[NH2+][C@H](C)c1ccncc1F 306229647 572570465 /nfs/dbraw/zinc/57/04/65/572570465.db2.gz YXEBACWEJWCKPW-MRVPVSSYSA-N 1 1 178.210 1.505 10 30 ADEEMO C#CCC[N@@H+]1CC[C@@](C)(OC)C1 306276580 572570723 /nfs/dbraw/zinc/57/07/23/572570723.db2.gz STIOBWLQHQJQQT-SNVBAGLBSA-N 1 1 167.252 1.121 10 30 ADEEMO N#C[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C1 251411665 572571110 /nfs/dbraw/zinc/57/11/10/572571110.db2.gz RCNRGRUKJIDOCF-UWVGGRQHSA-N 1 1 180.251 1.011 10 30 ADEEMO N#C[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C1 251411665 572571112 /nfs/dbraw/zinc/57/11/12/572571112.db2.gz RCNRGRUKJIDOCF-UWVGGRQHSA-N 1 1 180.251 1.011 10 30 ADEEMO C#CC[N@@H+]1CC[C@H](C)C[C@H](C)C1 306283421 572571143 /nfs/dbraw/zinc/57/11/43/572571143.db2.gz IRUZSDFZTFWKMA-QWRGUYRKSA-N 1 1 165.280 1.988 10 30 ADEEMO CC(C)[C@H]1CC[N@@H+](C[C@H](C)C=O)C1 251443176 572571244 /nfs/dbraw/zinc/57/12/44/572571244.db2.gz VVORJZNRYVSYBF-QWRGUYRKSA-N 1 1 183.295 1.799 10 30 ADEEMO C=C[C@H](C)C[N@H+](C)CC#CC 307562389 572571340 /nfs/dbraw/zinc/57/13/40/572571340.db2.gz KTJXPTMASTVHOV-JTQLQIEISA-N 1 1 151.253 1.764 10 30 ADEEMO CC(C)[C@H]1CCC[N@H+]1C[C@H](C)C=O 251400037 572571488 /nfs/dbraw/zinc/57/14/88/572571488.db2.gz LRJDMMOZTUWVNU-WDEREUQCSA-N 1 1 183.295 1.942 10 30 ADEEMO CC#CC[NH2+]Cc1c(Cl)cnn1C 307598756 572571592 /nfs/dbraw/zinc/57/15/92/572571592.db2.gz PDKUWVYXUJFKMJ-UHFFFAOYSA-N 1 1 197.669 1.186 10 30 ADEEMO CC#CC[N@@H+](C)C[C@@](C)(O)C(C)C 393476481 572571635 /nfs/dbraw/zinc/57/16/35/572571635.db2.gz OXPVADJJEVRKHB-LLVKDONJSA-N 1 1 183.295 1.349 10 30 ADEEMO C#C[C@]1(O)CC[N@H+](CCC(=C)C)C1 306286085 572571852 /nfs/dbraw/zinc/57/18/52/572571852.db2.gz KEDPWFDHRMIHKP-NSHDSACASA-N 1 1 179.263 1.023 10 30 ADEEMO C=CC[N@H+]1CCC12CCC2 306290513 572571952 /nfs/dbraw/zinc/57/19/52/572571952.db2.gz QNNXFVJVZZYMRK-UHFFFAOYSA-N 1 1 137.226 1.801 10 30 ADEEMO COCC#CC[N@@H+]1CC[C@@](C)(F)C1 307598007 572572638 /nfs/dbraw/zinc/57/26/38/572572638.db2.gz OFZLDODIXJVEQV-SNVBAGLBSA-N 1 1 185.242 1.070 10 30 ADEEMO COCC#CC[N@H+]1CC[C@@](C)(F)C1 307598007 572572642 /nfs/dbraw/zinc/57/26/42/572572642.db2.gz OFZLDODIXJVEQV-SNVBAGLBSA-N 1 1 185.242 1.070 10 30 ADEEMO C=C[C@@H](C)[NH+]1CCN(C(C)C)CC1 307582223 572572803 /nfs/dbraw/zinc/57/28/03/572572803.db2.gz UJXMUJKCHVBWQD-LLVKDONJSA-N 1 1 182.311 1.587 10 30 ADEEMO C=CC[N@H+]1CCCO[C@H]2CCC[C@@H]21 306288343 572572823 /nfs/dbraw/zinc/57/28/23/572572823.db2.gz MMCOYDPCMZEGFL-QWRGUYRKSA-N 1 1 181.279 1.816 10 30 ADEEMO CC(C)[C@@H]1CCC[N@H+]1C[C@H](C)C=O 251400036 572573103 /nfs/dbraw/zinc/57/31/03/572573103.db2.gz LRJDMMOZTUWVNU-QWRGUYRKSA-N 1 1 183.295 1.942 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCC[C@H](O)CC1 307508457 572573111 /nfs/dbraw/zinc/57/31/11/572573111.db2.gz AYTHQUMVYOJOJG-ZJUUUORDSA-N 1 1 169.268 1.408 10 30 ADEEMO C/C(CC(C)C)=[NH+]/CCO 307830731 572573124 /nfs/dbraw/zinc/57/31/24/572573124.db2.gz KBGGQEAEITYSEX-HJWRWDBZSA-N 1 1 143.230 1.486 10 30 ADEEMO C[C@H]1CSCC[N@H+]1C[C@@H](C)C#N 69760927 572573186 /nfs/dbraw/zinc/57/31/86/572573186.db2.gz HAVNNBNBFWQVKT-IUCAKERBSA-N 1 1 184.308 1.583 10 30 ADEEMO C[C@H]1CSCC[N@@H+]1C[C@@H](C)C#N 69760927 572573188 /nfs/dbraw/zinc/57/31/88/572573188.db2.gz HAVNNBNBFWQVKT-IUCAKERBSA-N 1 1 184.308 1.583 10 30 ADEEMO CC(C)[C@@H]1CC[N@@H+](C[C@H](C)C=O)C1 251443180 572573200 /nfs/dbraw/zinc/57/32/00/572573200.db2.gz VVORJZNRYVSYBF-WDEREUQCSA-N 1 1 183.295 1.799 10 30 ADEEMO C#CC[N@@H+]1CC[C@@H](C)C[C@H](C)C1 306283419 572573358 /nfs/dbraw/zinc/57/33/58/572573358.db2.gz IRUZSDFZTFWKMA-MNOVXSKESA-N 1 1 165.280 1.988 10 30 ADEEMO C[C@@H](C#N)C[N@@H+]1CCSC[C@H]1C 69760926 572573392 /nfs/dbraw/zinc/57/33/92/572573392.db2.gz HAVNNBNBFWQVKT-DTWKUNHWSA-N 1 1 184.308 1.583 10 30 ADEEMO C[C@@H](C#N)C[N@H+]1CCSC[C@H]1C 69760926 572573394 /nfs/dbraw/zinc/57/33/94/572573394.db2.gz HAVNNBNBFWQVKT-DTWKUNHWSA-N 1 1 184.308 1.583 10 30 ADEEMO N#C[C@@H]1CC[N@H+](C[C@H]2CCCO2)C1 251411669 572573853 /nfs/dbraw/zinc/57/38/53/572573853.db2.gz RCNRGRUKJIDOCF-VHSXEESVSA-N 1 1 180.251 1.011 10 30 ADEEMO N#C[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C1 251411669 572573858 /nfs/dbraw/zinc/57/38/58/572573858.db2.gz RCNRGRUKJIDOCF-VHSXEESVSA-N 1 1 180.251 1.011 10 30 ADEEMO CC#CC[N@@H+](C)C[C@](C)(O)C(C)C 393476482 572574011 /nfs/dbraw/zinc/57/40/11/572574011.db2.gz OXPVADJJEVRKHB-NSHDSACASA-N 1 1 183.295 1.349 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CC[C@](O)(C2CC2)C1 307572776 572574280 /nfs/dbraw/zinc/57/42/80/572574280.db2.gz ZIRKPNVHKWABCL-MWLCHTKSSA-N 1 1 181.279 1.408 10 30 ADEEMO C=CC[N@@H+]1CC[C@@H](C)N[C@H](CC#N)C1 251545103 572574445 /nfs/dbraw/zinc/57/44/45/572574445.db2.gz BSEMCTVLQYOUDZ-GHMZBOCLSA-N 1 1 193.294 1.138 10 30 ADEEMO C=CC[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1CN 307585611 572574638 /nfs/dbraw/zinc/57/46/38/572574638.db2.gz MIRRJQXUQLCMIE-AXFHLTTASA-N 1 1 180.295 1.232 10 30 ADEEMO C=C(C)CC[N@H+]1CCN(C)[C@@H](C)C1 306258909 572574641 /nfs/dbraw/zinc/57/46/41/572574641.db2.gz SKGCNGGAPOBTLD-NSHDSACASA-N 1 1 182.311 1.589 10 30 ADEEMO C=CCN1C[C@@H]2CCC[C@H]2[C@@H]1C[NH3+] 307585611 572574649 /nfs/dbraw/zinc/57/46/49/572574649.db2.gz MIRRJQXUQLCMIE-AXFHLTTASA-N 1 1 180.295 1.232 10 30 ADEEMO C=CC[N@H+]1CCCO[C@H]2CCC[C@H]21 306288342 572574815 /nfs/dbraw/zinc/57/48/15/572574815.db2.gz MMCOYDPCMZEGFL-MNOVXSKESA-N 1 1 181.279 1.816 10 30 ADEEMO C=C(C[NH3+])CN1CCCOC(C)(C)C1 306238985 572574850 /nfs/dbraw/zinc/57/48/50/572574850.db2.gz JDDVOSINNDBNGI-UHFFFAOYSA-N 1 1 198.310 1.002 10 30 ADEEMO C=CC[N@@H+]1CC[C@H](C)N[C@H](CC#N)C1 251545138 572575014 /nfs/dbraw/zinc/57/50/14/572575014.db2.gz BSEMCTVLQYOUDZ-WDEREUQCSA-N 1 1 193.294 1.138 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCC[C@@H](O)CC1 307508450 572575321 /nfs/dbraw/zinc/57/53/21/572575321.db2.gz AYTHQUMVYOJOJG-NXEZZACHSA-N 1 1 169.268 1.408 10 30 ADEEMO CCC[N@@H+](CCS)[C@@H]1CCOC1 308065334 572575380 /nfs/dbraw/zinc/57/53/80/572575380.db2.gz YJFBRCRFONNYGF-SECBINFHSA-N 1 1 189.324 1.417 10 30 ADEEMO C=CCSCC[NH2+][C@@H](C)[C@H](C)N 308069402 572579476 /nfs/dbraw/zinc/57/94/76/572579476.db2.gz ASLTYTWSKFTNRN-IUCAKERBSA-N 1 1 188.340 1.231 10 30 ADEEMO C=C(Cl)C[NH2+]CC1(F)CC1 307574138 572576030 /nfs/dbraw/zinc/57/60/30/572576030.db2.gz GYEXFJRZUSEAIZ-UHFFFAOYSA-N 1 1 163.623 1.831 10 30 ADEEMO C=C[C@H](C)[N@H+]1CC[C@H](O)C1(C)C 306263795 572576487 /nfs/dbraw/zinc/57/64/87/572576487.db2.gz NSFBOSGMXUIZFE-IUCAKERBSA-N 1 1 169.268 1.406 10 30 ADEEMO C#C[C@H](N[C@@H]1CC[NH2+]C[C@@H]1C)C(C)C 306249237 572576522 /nfs/dbraw/zinc/57/65/22/572576522.db2.gz ZXIBLLNUTPKMFX-SDDRHHMPSA-N 1 1 194.322 1.232 10 30 ADEEMO C#CCC[N@@H+]1CCCC[C@@H](F)C1 306207085 572577347 /nfs/dbraw/zinc/57/73/47/572577347.db2.gz XUHWJYOVDFHIIS-SNVBAGLBSA-N 1 1 169.243 1.834 10 30 ADEEMO C=CC[N@@H+]1C[C@@H](C)OCC1(C)C 306298450 572577614 /nfs/dbraw/zinc/57/76/14/572577614.db2.gz XSAPBYULNXIXRB-SECBINFHSA-N 1 1 169.268 1.672 10 30 ADEEMO C[C@@H]1CN(C2CC2)[C@@H](CC#N)C[N@@H+]1C 251576450 572577726 /nfs/dbraw/zinc/57/77/26/572577726.db2.gz DSOLNLDFHKYFFW-KOLCDFICSA-N 1 1 193.294 1.067 10 30 ADEEMO C[C@@H]1CN(C2CC2)[C@@H](CC#N)C[N@H+]1C 251576450 572577729 /nfs/dbraw/zinc/57/77/29/572577729.db2.gz DSOLNLDFHKYFFW-KOLCDFICSA-N 1 1 193.294 1.067 10 30 ADEEMO CCCC[N@@H+](C)CCC[C@H]1CO1 308069448 572578067 /nfs/dbraw/zinc/57/80/67/572578067.db2.gz AUSCZDBKTLDPGB-JTQLQIEISA-N 1 1 171.284 1.897 10 30 ADEEMO C=CCSCC[NH2+][C@H](C)[C@H](C)N 308069401 572578327 /nfs/dbraw/zinc/57/83/27/572578327.db2.gz ASLTYTWSKFTNRN-DTWKUNHWSA-N 1 1 188.340 1.231 10 30 ADEEMO C=CCSCCN[C@H](C)[C@H](C)[NH3+] 308069401 572578333 /nfs/dbraw/zinc/57/83/33/572578333.db2.gz ASLTYTWSKFTNRN-DTWKUNHWSA-N 1 1 188.340 1.231 10 30 ADEEMO C#CC[N@H+](C)[C@H](C)c1ccc(N)cc1 307566500 572578345 /nfs/dbraw/zinc/57/83/45/572578345.db2.gz OJOZEAYLPSIVIB-SNVBAGLBSA-N 1 1 188.274 1.895 10 30 ADEEMO C=CCSCC[NH2+][C@@H](C)[C@@H](C)N 308069400 572578510 /nfs/dbraw/zinc/57/85/10/572578510.db2.gz ASLTYTWSKFTNRN-BDAKNGLRSA-N 1 1 188.340 1.231 10 30 ADEEMO C=CCSCCN[C@@H](C)[C@@H](C)[NH3+] 308069400 572578516 /nfs/dbraw/zinc/57/85/16/572578516.db2.gz ASLTYTWSKFTNRN-BDAKNGLRSA-N 1 1 188.340 1.231 10 30 ADEEMO C#C[C@H](C)[N@H+](C)Cc1cc(C)no1 306278664 572578523 /nfs/dbraw/zinc/57/85/23/572578523.db2.gz GTZMKSPAWCJICP-VIFPVBQESA-N 1 1 178.235 1.437 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)Cc1cc(C)no1 306278664 572578526 /nfs/dbraw/zinc/57/85/26/572578526.db2.gz GTZMKSPAWCJICP-VIFPVBQESA-N 1 1 178.235 1.437 10 30 ADEEMO CCCC[N@@H+](C)CCC[C@@H]1CO1 308069453 572578873 /nfs/dbraw/zinc/57/88/73/572578873.db2.gz AUSCZDBKTLDPGB-SNVBAGLBSA-N 1 1 171.284 1.897 10 30 ADEEMO C[C@@H](/C(N)=N/O)[N@H+]1CCCC(C)(C)C1 69793429 572579026 /nfs/dbraw/zinc/57/90/26/572579026.db2.gz KDCNRSJDHWQJKM-QMMMGPOBSA-N 1 1 199.298 1.243 10 30 ADEEMO C=CCSCCN[C@@H](C)[C@H](C)[NH3+] 308069402 572579483 /nfs/dbraw/zinc/57/94/83/572579483.db2.gz ASLTYTWSKFTNRN-IUCAKERBSA-N 1 1 188.340 1.231 10 30 ADEEMO C[C@H]1CN(C2CC2)[C@@H](CC#N)C[N@@H+]1C 251576454 572579693 /nfs/dbraw/zinc/57/96/93/572579693.db2.gz DSOLNLDFHKYFFW-ONGXEEELSA-N 1 1 193.294 1.067 10 30 ADEEMO C[C@H]1CN(C2CC2)[C@@H](CC#N)C[N@H+]1C 251576454 572579696 /nfs/dbraw/zinc/57/96/96/572579696.db2.gz DSOLNLDFHKYFFW-ONGXEEELSA-N 1 1 193.294 1.067 10 30 ADEEMO C=CC[NH+]1CC(C(F)F)C1 306246160 572579968 /nfs/dbraw/zinc/57/99/68/572579968.db2.gz AXXLRRRZHRLBTC-UHFFFAOYSA-N 1 1 147.168 1.369 10 30 ADEEMO C=C(CC)CN1CCC[NH2+][C@@H](C)C1 306273008 572580124 /nfs/dbraw/zinc/58/01/24/572580124.db2.gz ZADYNZOIZZLZRZ-NSHDSACASA-N 1 1 182.311 1.636 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CC[C@H](O)C1(C)C 306263793 572580250 /nfs/dbraw/zinc/58/02/50/572580250.db2.gz NSFBOSGMXUIZFE-BDAKNGLRSA-N 1 1 169.268 1.406 10 30 ADEEMO C[C@H](/C(N)=N/O)[N@H+]1CCCC(C)(C)C1 69793430 572580745 /nfs/dbraw/zinc/58/07/45/572580745.db2.gz KDCNRSJDHWQJKM-MRVPVSSYSA-N 1 1 199.298 1.243 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)C[C@@H]1CCCOC1 306265560 572580915 /nfs/dbraw/zinc/58/09/15/572580915.db2.gz DFBMXFKXJUFIIW-QWRGUYRKSA-N 1 1 181.279 1.367 10 30 ADEEMO C=C[C@@H](C)[N@@H+]1CCC[C@@H](N(C)C)C1 306264145 572580933 /nfs/dbraw/zinc/58/09/33/572580933.db2.gz OCQBPAKZKUCREP-GHMZBOCLSA-N 1 1 182.311 1.587 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCC[C@@H](N(C)C)C1 306264145 572580934 /nfs/dbraw/zinc/58/09/34/572580934.db2.gz OCQBPAKZKUCREP-GHMZBOCLSA-N 1 1 182.311 1.587 10 30 ADEEMO CC1(C)CCC[N@@H+](CC/C(N)=N/O)C1 69793418 572580937 /nfs/dbraw/zinc/58/09/37/572580937.db2.gz ZAGNURDWFGBZCL-UHFFFAOYSA-N 1 1 199.298 1.245 10 30 ADEEMO C=CC[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]12 306206654 572581745 /nfs/dbraw/zinc/58/17/45/572581745.db2.gz CIJHDLRLOHRWBJ-IJLUTSLNSA-N 1 1 194.322 1.635 10 30 ADEEMO C=CCC[C@H](C)[N@H+]1CC[C@H](O)C1 308067383 572582083 /nfs/dbraw/zinc/58/20/83/572582083.db2.gz ZHLJPIQVKCZMMB-UWVGGRQHSA-N 1 1 169.268 1.408 10 30 ADEEMO CC#CC[NH2+][C@@H](C)c1ccncc1F 306248878 572582144 /nfs/dbraw/zinc/58/21/44/572582144.db2.gz QROAKSBKGOFIHI-VIFPVBQESA-N 1 1 192.237 1.895 10 30 ADEEMO C(#Cc1ccccc1)C[NH+]1CCC1 306207472 572582177 /nfs/dbraw/zinc/58/21/77/572582177.db2.gz KJYRJPHSFYDNEK-UHFFFAOYSA-N 1 1 171.243 1.744 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CC[C@@](O)(C2CC2)C1 307572775 572582368 /nfs/dbraw/zinc/58/23/68/572582368.db2.gz ZIRKPNVHKWABCL-KOLCDFICSA-N 1 1 181.279 1.408 10 30 ADEEMO C=CCC[N@@H+]1CC[C@@](C)(CO)C1 308066361 572582986 /nfs/dbraw/zinc/58/29/86/572582986.db2.gz YSHNHMGTQDISLC-SNVBAGLBSA-N 1 1 169.268 1.267 10 30 ADEEMO C=C[C@H](C)O[NH+]=C1CCCCN1 307503433 572583051 /nfs/dbraw/zinc/58/30/51/572583051.db2.gz OOVQKGFMSPOCDO-QMMMGPOBSA-N 1 1 168.240 1.665 10 30 ADEEMO C=CCC[C@@H](C)[N@H+]1CCC[C@H](N)C1 308066242 572583120 /nfs/dbraw/zinc/58/31/20/572583120.db2.gz YRRLQZGRHZYEOW-MNOVXSKESA-N 1 1 182.311 1.764 10 30 ADEEMO C=CCC[C@@H](C)N1CCC[C@H]([NH3+])C1 308066242 572583124 /nfs/dbraw/zinc/58/31/24/572583124.db2.gz YRRLQZGRHZYEOW-MNOVXSKESA-N 1 1 182.311 1.764 10 30 ADEEMO CC(C)N1C[C@H](C)[N@H+](C)C[C@@H]1CC#N 251590486 572583228 /nfs/dbraw/zinc/58/32/28/572583228.db2.gz FQGOUBUDAVITGT-QWRGUYRKSA-N 1 1 195.310 1.313 10 30 ADEEMO CC(C)N1C[C@H](C)[N@@H+](C)C[C@@H]1CC#N 251590486 572583231 /nfs/dbraw/zinc/58/32/31/572583231.db2.gz FQGOUBUDAVITGT-QWRGUYRKSA-N 1 1 195.310 1.313 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCOC2(CCC2)C1 307530730 572583328 /nfs/dbraw/zinc/58/33/28/572583328.db2.gz WBHJEYLEZOHKOD-JTQLQIEISA-N 1 1 181.279 1.816 10 30 ADEEMO C=CCC[C@H](C)[N@H+]1CCC[C@H](N)C1 308066244 572583353 /nfs/dbraw/zinc/58/33/53/572583353.db2.gz YRRLQZGRHZYEOW-QWRGUYRKSA-N 1 1 182.311 1.764 10 30 ADEEMO C=CCC[C@H](C)N1CCC[C@H]([NH3+])C1 308066244 572583354 /nfs/dbraw/zinc/58/33/54/572583354.db2.gz YRRLQZGRHZYEOW-QWRGUYRKSA-N 1 1 182.311 1.764 10 30 ADEEMO C=CCC[N@@H+]1CC[C@](C)(CO)C1 308066354 572583466 /nfs/dbraw/zinc/58/34/66/572583466.db2.gz YSHNHMGTQDISLC-JTQLQIEISA-N 1 1 169.268 1.267 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCCC[C@@H](C[NH3+])C1 307586826 572583584 /nfs/dbraw/zinc/58/35/84/572583584.db2.gz QVMZMBYMTLOZCB-MNOVXSKESA-N 1 1 182.311 1.622 10 30 ADEEMO C#CC[N@@H+](C)Cc1cc(N)ccc1F 306263268 572583608 /nfs/dbraw/zinc/58/36/08/572583608.db2.gz YGAXPKAENKETFJ-UHFFFAOYSA-N 1 1 192.237 1.473 10 30 ADEEMO C#CC[N@H+](C)Cc1cc(N)ccc1F 306263268 572583612 /nfs/dbraw/zinc/58/36/12/572583612.db2.gz YGAXPKAENKETFJ-UHFFFAOYSA-N 1 1 192.237 1.473 10 30 ADEEMO C#C[C@](C)(CC)[N@@H+]1C[C@@H](C)NC[C@H]1C 307506072 572583652 /nfs/dbraw/zinc/58/36/52/572583652.db2.gz LLJTUQLQZBSRQF-IJLUTSLNSA-N 1 1 194.322 1.471 10 30 ADEEMO C#C[C@](C)(CC)[N@H+]1C[C@@H](C)NC[C@H]1C 307506072 572583655 /nfs/dbraw/zinc/58/36/55/572583655.db2.gz LLJTUQLQZBSRQF-IJLUTSLNSA-N 1 1 194.322 1.471 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCC[C@H](O)CC1 307508453 572583663 /nfs/dbraw/zinc/58/36/63/572583663.db2.gz AYTHQUMVYOJOJG-UWVGGRQHSA-N 1 1 169.268 1.408 10 30 ADEEMO C=CCC[C@H](C)[N@H+]1CC[C@@H](O)C1 308067384 572583780 /nfs/dbraw/zinc/58/37/80/572583780.db2.gz ZHLJPIQVKCZMMB-VHSXEESVSA-N 1 1 169.268 1.408 10 30 ADEEMO COCC#CC[N@@H+]1CC[C@](C)(F)C1 307598006 572584001 /nfs/dbraw/zinc/58/40/01/572584001.db2.gz OFZLDODIXJVEQV-JTQLQIEISA-N 1 1 185.242 1.070 10 30 ADEEMO COCC#CC[N@H+]1CC[C@](C)(F)C1 307598006 572584006 /nfs/dbraw/zinc/58/40/06/572584006.db2.gz OFZLDODIXJVEQV-JTQLQIEISA-N 1 1 185.242 1.070 10 30 ADEEMO C=C(C)c1nnc([C@@H](C)[NH3+])o1 306262407 572584057 /nfs/dbraw/zinc/58/40/57/572584057.db2.gz LYDQXMPSFHKFLC-RXMQYKEDSA-N 1 1 153.185 1.122 10 30 ADEEMO C=CCC[C@@H](C)[N@H+]1CC[C@H](O)C1 308067385 572584098 /nfs/dbraw/zinc/58/40/98/572584098.db2.gz ZHLJPIQVKCZMMB-ZJUUUORDSA-N 1 1 169.268 1.408 10 30 ADEEMO C=C[C@@H](C)[N@@H+]1CCO[C@H](CC)C1 307583818 572584330 /nfs/dbraw/zinc/58/43/30/572584330.db2.gz ZYLMONGBMQVMBZ-NXEZZACHSA-N 1 1 169.268 1.672 10 30 ADEEMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](O)C1 308067382 572584378 /nfs/dbraw/zinc/58/43/78/572584378.db2.gz ZHLJPIQVKCZMMB-NXEZZACHSA-N 1 1 169.268 1.408 10 30 ADEEMO CC(C)N1C[C@@H](C)[N@H+](C)C[C@@H]1CC#N 251590384 572584416 /nfs/dbraw/zinc/58/44/16/572584416.db2.gz FQGOUBUDAVITGT-MNOVXSKESA-N 1 1 195.310 1.313 10 30 ADEEMO CC(C)N1C[C@@H](C)[N@@H+](C)C[C@@H]1CC#N 251590384 572584418 /nfs/dbraw/zinc/58/44/18/572584418.db2.gz FQGOUBUDAVITGT-MNOVXSKESA-N 1 1 195.310 1.313 10 30 ADEEMO C#C[C@](C)(CC)[N@@H+]1C[C@H](C)NC[C@H]1C 307506073 572584532 /nfs/dbraw/zinc/58/45/32/572584532.db2.gz LLJTUQLQZBSRQF-QJPTWQEYSA-N 1 1 194.322 1.471 10 30 ADEEMO C#C[C@](C)(CC)[N@H+]1C[C@H](C)NC[C@H]1C 307506073 572584536 /nfs/dbraw/zinc/58/45/36/572584536.db2.gz LLJTUQLQZBSRQF-QJPTWQEYSA-N 1 1 194.322 1.471 10 30 ADEEMO C#C[C@@H](C)[N@H+](C)Cc1cc(C)no1 306278663 572584606 /nfs/dbraw/zinc/58/46/06/572584606.db2.gz GTZMKSPAWCJICP-SECBINFHSA-N 1 1 178.235 1.437 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)Cc1cc(C)no1 306278663 572584611 /nfs/dbraw/zinc/58/46/11/572584611.db2.gz GTZMKSPAWCJICP-SECBINFHSA-N 1 1 178.235 1.437 10 30 ADEEMO C#C[C@H](C)[N@H+](C)CCCC 307544840 572584925 /nfs/dbraw/zinc/58/49/25/572584925.db2.gz WWTAYILSSYBOHG-VIFPVBQESA-N 1 1 139.242 1.740 10 30 ADEEMO C=C[C@@H](CO)Nc1cc(C)cc[nH+]1 306227323 572585049 /nfs/dbraw/zinc/58/50/49/572585049.db2.gz HEXAEMIJZRRAHC-VIFPVBQESA-N 1 1 178.235 1.349 10 30 ADEEMO CC#CCC[N@H+]1CCOCC[C@@H]1C 306278860 572585726 /nfs/dbraw/zinc/58/57/26/572585726.db2.gz QQXIXJGYAROSPH-NSHDSACASA-N 1 1 181.279 1.511 10 30 ADEEMO C=C(C)C[N@@H+]1C[C@@H](C)[C@@H]1C 307554282 572587325 /nfs/dbraw/zinc/58/73/25/572587325.db2.gz MEAPLLQPOZZPLW-BDAKNGLRSA-N 1 1 139.242 1.903 10 30 ADEEMO C=CC[NH2+][C@@H](C)c1cc(C)on1 308067915 572586193 /nfs/dbraw/zinc/58/61/93/572586193.db2.gz ZRSUXIGNLKSWOR-QMMMGPOBSA-N 1 1 166.224 1.820 10 30 ADEEMO C=CC[NH2+][C@H](C)c1cc(C)on1 308067914 572586235 /nfs/dbraw/zinc/58/62/35/572586235.db2.gz ZRSUXIGNLKSWOR-MRVPVSSYSA-N 1 1 166.224 1.820 10 30 ADEEMO C#C[C@@]1(O)CC[N@H+](CCC(=C)C)C1 306286083 572586406 /nfs/dbraw/zinc/58/64/06/572586406.db2.gz KEDPWFDHRMIHKP-LLVKDONJSA-N 1 1 179.263 1.023 10 30 ADEEMO C#CCCO[NH+]=C(N)CC1CC1 308068623 572586647 /nfs/dbraw/zinc/58/66/47/572586647.db2.gz AFTWQDFPKKRVCN-UHFFFAOYSA-N 1 1 166.224 1.099 10 30 ADEEMO C#CCN(CC)[C@@H]1CCC[NH2+]CC1 306219903 572586693 /nfs/dbraw/zinc/58/66/93/572586693.db2.gz NKCPNQDQLZSUGG-LLVKDONJSA-N 1 1 180.295 1.084 10 30 ADEEMO C=C[C@H](C)[N@H+](C)CCC 306286045 572586885 /nfs/dbraw/zinc/58/68/85/572586885.db2.gz KCOPEJKNSFAQRP-QMMMGPOBSA-N 1 1 127.231 1.903 10 30 ADEEMO C#CCN1CCC[N@H+](CCC)CC1 307526561 572586896 /nfs/dbraw/zinc/58/68/96/572586896.db2.gz FCNXPLJMHGZJNV-UHFFFAOYSA-N 1 1 180.295 1.037 10 30 ADEEMO C#CC[NH2+][C@@H](C)c1ccncc1F 306229649 572586957 /nfs/dbraw/zinc/58/69/57/572586957.db2.gz YXEBACWEJWCKPW-QMMMGPOBSA-N 1 1 178.210 1.505 10 30 ADEEMO C[C@@H]1C[N@H+](C(C)(C)C)C[C@@H](CC#N)N1 251559920 572587182 /nfs/dbraw/zinc/58/71/82/572587182.db2.gz CRCOHLXPKWAEGS-NXEZZACHSA-N 1 1 195.310 1.361 10 30 ADEEMO C#CC[N@@H+]1CC[C@@H](CSC)C1 306216191 572587278 /nfs/dbraw/zinc/58/72/78/572587278.db2.gz PLFQRRAFGYHEKP-SECBINFHSA-N 1 1 169.293 1.305 10 30 ADEEMO C=CC[N@@H+]1CC[C@@H](CCOC)C1 308068500 572587686 /nfs/dbraw/zinc/58/76/86/572587686.db2.gz AAOUKASMQLHGOY-JTQLQIEISA-N 1 1 169.268 1.531 10 30 ADEEMO CC#CCC[N@H+]1CC[C@H](CO)[C@@H]1C 306248802 572588081 /nfs/dbraw/zinc/58/80/81/572588081.db2.gz ZHYHUDTZLKIDIN-WDEREUQCSA-N 1 1 181.279 1.103 10 30 ADEEMO C#CC[N@@H+](C)[C@H](C)c1ccco1 307565184 572588083 /nfs/dbraw/zinc/58/80/83/572588083.db2.gz BZPZLSAVUMKHND-SECBINFHSA-N 1 1 163.220 1.906 10 30 ADEEMO C#CC[N@H+](C)[C@H](C)c1ccco1 307565184 572588085 /nfs/dbraw/zinc/58/80/85/572588085.db2.gz BZPZLSAVUMKHND-SECBINFHSA-N 1 1 163.220 1.906 10 30 ADEEMO C=C[C@@H](C)c1noc(C2([NH3+])CC2)n1 306273742 572588129 /nfs/dbraw/zinc/58/81/29/572588129.db2.gz BJFBEVWSTFEWSM-ZCFIWIBFSA-N 1 1 179.223 1.307 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CC[C@@H](O)C1(C)C 306263796 572588200 /nfs/dbraw/zinc/58/82/00/572588200.db2.gz NSFBOSGMXUIZFE-RKDXNWHRSA-N 1 1 169.268 1.406 10 30 ADEEMO C#CC[N@H+](C)CC[C@@H](C)F 306265368 572588434 /nfs/dbraw/zinc/58/84/34/572588434.db2.gz BFMMHINMOZQHGT-MRVPVSSYSA-N 1 1 143.205 1.300 10 30 ADEEMO C=CCCC[C@@H]([NH3+])c1cn[nH]n1 87600004 572590554 /nfs/dbraw/zinc/59/05/54/572590554.db2.gz TVOFRLKMTNRCAW-SSDOTTSWSA-N 1 1 166.228 1.161 10 30 ADEEMO C=C1CCC[N@H+]([C@@H](C)[C@@H](C)O)C1 306215004 572588579 /nfs/dbraw/zinc/58/85/79/572588579.db2.gz YJWJEZCDGULGRM-VHSXEESVSA-N 1 1 169.268 1.408 10 30 ADEEMO C#C[C@H](C)N[C@H]1CC[N@H+](CC)[C@H](C)C1 306262936 572588635 /nfs/dbraw/zinc/58/86/35/572588635.db2.gz MQGUDSNTXZAIJM-TUAOUCFPSA-N 1 1 194.322 1.471 10 30 ADEEMO C#C[C@H](C)[NH2+][C@H]1CCN(CC)[C@H](C)C1 306262936 572588642 /nfs/dbraw/zinc/58/86/42/572588642.db2.gz MQGUDSNTXZAIJM-TUAOUCFPSA-N 1 1 194.322 1.471 10 30 ADEEMO C=C1CCC[N@H+]([C@H](C)[C@H](C)O)C1 306215005 572588827 /nfs/dbraw/zinc/58/88/27/572588827.db2.gz YJWJEZCDGULGRM-ZJUUUORDSA-N 1 1 169.268 1.408 10 30 ADEEMO C=CC[N@H+]1CC[C@H]2C[NH+](C)CC[C@H]21 307507454 572588968 /nfs/dbraw/zinc/58/89/68/572588968.db2.gz ZIZIFHQWSBTIKU-WDEREUQCSA-N 1 1 180.295 1.198 10 30 ADEEMO C=CC[N@@H+]1CC[C@H]2C[NH+](C)CC[C@H]21 307507454 572588971 /nfs/dbraw/zinc/58/89/71/572588971.db2.gz ZIZIFHQWSBTIKU-WDEREUQCSA-N 1 1 180.295 1.198 10 30 ADEEMO C=C[C@H](C)[N@H+]1CC[C@@H](O)C1(C)C 306263794 572589042 /nfs/dbraw/zinc/58/90/42/572589042.db2.gz NSFBOSGMXUIZFE-DTWKUNHWSA-N 1 1 169.268 1.406 10 30 ADEEMO C#CCC[N@@H+]1CC[C@](C)(OC)C1 306276579 572589143 /nfs/dbraw/zinc/58/91/43/572589143.db2.gz STIOBWLQHQJQQT-JTQLQIEISA-N 1 1 167.252 1.121 10 30 ADEEMO C=CC[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21 306206699 572589274 /nfs/dbraw/zinc/58/92/74/572589274.db2.gz CIJHDLRLOHRWBJ-UTUOFQBUSA-N 1 1 194.322 1.635 10 30 ADEEMO C=CC[N@@H+]1CCC[C@H](O)[C@H]1C=C 306222912 572589358 /nfs/dbraw/zinc/58/93/58/572589358.db2.gz XVTXZJLMXIWAIN-ZJUUUORDSA-N 1 1 167.252 1.184 10 30 ADEEMO C#CCC[N@@H+]1CC[C@](C)(F)C1 306237138 572589388 /nfs/dbraw/zinc/58/93/88/572589388.db2.gz FPAIIAIVQDIKQL-VIFPVBQESA-N 1 1 155.216 1.444 10 30 ADEEMO C[C@H]1C[N@H+](C(C)(C)C)C[C@@H](CC#N)N1 251559927 572589424 /nfs/dbraw/zinc/58/94/24/572589424.db2.gz CRCOHLXPKWAEGS-VHSXEESVSA-N 1 1 195.310 1.361 10 30 ADEEMO C#C[C@@](C)(CC)[N@H+]1CCN[C@@H](CC)C1 307593910 572589534 /nfs/dbraw/zinc/58/95/34/572589534.db2.gz JPTVPAAYDPQOEL-RYUDHWBXSA-N 1 1 194.322 1.472 10 30 ADEEMO C#C[C@@](C)(CC)[N@@H+]1CCN[C@@H](CC)C1 307593910 572589538 /nfs/dbraw/zinc/58/95/38/572589538.db2.gz JPTVPAAYDPQOEL-RYUDHWBXSA-N 1 1 194.322 1.472 10 30 ADEEMO C[N@H+]1CC[C@H]2[C@@H]1[C@@H]2CCC#N 27832928 572589711 /nfs/dbraw/zinc/58/97/11/572589711.db2.gz CGVAZOIVVVYLMX-HLTSFMKQSA-N 1 1 150.225 1.240 10 30 ADEEMO C=CCC[C@@H]([NH2+]CC)c1c[nH]nn1 87600978 572590745 /nfs/dbraw/zinc/59/07/45/572590745.db2.gz ZEAMXBPMLLVGOA-MRVPVSSYSA-N 1 1 180.255 1.422 10 30 ADEEMO C=CCC[C@@H]([NH2+]CC)c1cn[nH]n1 87600978 572590749 /nfs/dbraw/zinc/59/07/49/572590749.db2.gz ZEAMXBPMLLVGOA-MRVPVSSYSA-N 1 1 180.255 1.422 10 30 ADEEMO C=C(C)C[N@@H+](C)CCF 306239420 572591029 /nfs/dbraw/zinc/59/10/29/572591029.db2.gz GSOHQIZOWQKDDF-UHFFFAOYSA-N 1 1 131.194 1.464 10 30 ADEEMO C=C[C@H](C)c1noc(C2([NH3+])CC2)n1 306273738 572591177 /nfs/dbraw/zinc/59/11/77/572591177.db2.gz BJFBEVWSTFEWSM-LURJTMIESA-N 1 1 179.223 1.307 10 30 ADEEMO C=CCCC[C@H]([NH2+]CC)c1c[nH]nn1 87600963 572591221 /nfs/dbraw/zinc/59/12/21/572591221.db2.gz DKMADWPZCGMMMY-VIFPVBQESA-N 1 1 194.282 1.812 10 30 ADEEMO C=CCCC[C@H]([NH2+]CC)c1cn[nH]n1 87600963 572591222 /nfs/dbraw/zinc/59/12/22/572591222.db2.gz DKMADWPZCGMMMY-VIFPVBQESA-N 1 1 194.282 1.812 10 30 ADEEMO C=C[C@H](C)[N@@H+]1CCC[C@H](N(C)C)C1 306264148 572591266 /nfs/dbraw/zinc/59/12/66/572591266.db2.gz OCQBPAKZKUCREP-QWRGUYRKSA-N 1 1 182.311 1.587 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCC[C@H](N(C)C)C1 306264148 572591270 /nfs/dbraw/zinc/59/12/70/572591270.db2.gz OCQBPAKZKUCREP-QWRGUYRKSA-N 1 1 182.311 1.587 10 30 ADEEMO C=CC[C@@H]([NH2+]CC)c1c[nH]nn1 87600976 572591320 /nfs/dbraw/zinc/59/13/20/572591320.db2.gz UQEGNLZXMNYQHG-SSDOTTSWSA-N 1 1 166.228 1.031 10 30 ADEEMO C=CC[C@@H]([NH2+]CC)c1cn[nH]n1 87600976 572591326 /nfs/dbraw/zinc/59/13/26/572591326.db2.gz UQEGNLZXMNYQHG-SSDOTTSWSA-N 1 1 166.228 1.031 10 30 ADEEMO C=C(CC)C[C@H]([NH2+]C)c1c[nH]nn1 87600843 572591615 /nfs/dbraw/zinc/59/16/15/572591615.db2.gz UCNGEDXQGKOAGA-QMMMGPOBSA-N 1 1 180.255 1.422 10 30 ADEEMO C=C(CC)C[C@H]([NH2+]C)c1cn[nH]n1 87600843 572591624 /nfs/dbraw/zinc/59/16/24/572591624.db2.gz UCNGEDXQGKOAGA-QMMMGPOBSA-N 1 1 180.255 1.422 10 30 ADEEMO C#C[C@H]([NH2+]CCC)c1cscn1 87595519 572591981 /nfs/dbraw/zinc/59/19/81/572591981.db2.gz HBXAPLNLIUEJGP-QMMMGPOBSA-N 1 1 180.276 1.817 10 30 ADEEMO C=C(C)C[C@H]([NH2+]CC)c1c[nH]nn1 87601029 572592014 /nfs/dbraw/zinc/59/20/14/572592014.db2.gz AMHBHXJDFOZEKB-QMMMGPOBSA-N 1 1 180.255 1.422 10 30 ADEEMO C=C(C)C[C@H]([NH2+]CC)c1cn[nH]n1 87601029 572592016 /nfs/dbraw/zinc/59/20/16/572592016.db2.gz AMHBHXJDFOZEKB-QMMMGPOBSA-N 1 1 180.255 1.422 10 30 ADEEMO C=C(C)C[N@H+]1CC(C)(C)C[C@H]1CO 306223090 572592119 /nfs/dbraw/zinc/59/21/19/572592119.db2.gz ROEMSFHZMWFKGL-JTQLQIEISA-N 1 1 183.295 1.655 10 30 ADEEMO C#CC[N@H+]1CCC(F)(F)[C@@H](C)C1 306278330 572592201 /nfs/dbraw/zinc/59/22/01/572592201.db2.gz GKVJWZPXYIDWQV-QMMMGPOBSA-N 1 1 173.206 1.597 10 30 ADEEMO C=C1CCC[N@H+]([C@@H](C)[C@H](C)O)C1 306215003 572592599 /nfs/dbraw/zinc/59/25/99/572592599.db2.gz YJWJEZCDGULGRM-UWVGGRQHSA-N 1 1 169.268 1.408 10 30 ADEEMO C#CC[N@@H+](C)CCC1CC1 306261236 572592726 /nfs/dbraw/zinc/59/27/26/572592726.db2.gz LANRRBUPLKGRQP-UHFFFAOYSA-N 1 1 137.226 1.352 10 30 ADEEMO C=CCCC[C@@H]([NH2+]CC)c1c[nH]nn1 87600964 572592741 /nfs/dbraw/zinc/59/27/41/572592741.db2.gz DKMADWPZCGMMMY-SECBINFHSA-N 1 1 194.282 1.812 10 30 ADEEMO C=CCCC[C@@H]([NH2+]CC)c1cn[nH]n1 87600964 572592748 /nfs/dbraw/zinc/59/27/48/572592748.db2.gz DKMADWPZCGMMMY-SECBINFHSA-N 1 1 194.282 1.812 10 30 ADEEMO CC#CC[N@H+](C)C/C=C/Cl 306226126 572592781 /nfs/dbraw/zinc/59/27/81/572592781.db2.gz FVWAVWQKHWRYNT-AATRIKPKSA-N 1 1 157.644 1.694 10 30 ADEEMO CC#CC[N@@H+](C)C/C=C/Cl 306226126 572592785 /nfs/dbraw/zinc/59/27/85/572592785.db2.gz FVWAVWQKHWRYNT-AATRIKPKSA-N 1 1 157.644 1.694 10 30 ADEEMO C=C[C@H](C)[N@@H+]1CCC[C@@H](N(C)C)C1 306264150 572592839 /nfs/dbraw/zinc/59/28/39/572592839.db2.gz OCQBPAKZKUCREP-WDEREUQCSA-N 1 1 182.311 1.587 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCC[C@@H](N(C)C)C1 306264150 572592841 /nfs/dbraw/zinc/59/28/41/572592841.db2.gz OCQBPAKZKUCREP-WDEREUQCSA-N 1 1 182.311 1.587 10 30 ADEEMO C#CCC[N@H+]1[C@@H](C)C[C@H]1C 307582793 572592873 /nfs/dbraw/zinc/59/28/73/572592873.db2.gz WEIQSNBMSATXOR-DTORHVGOSA-N 1 1 137.226 1.492 10 30 ADEEMO C=C(CC)C[C@H]([NH3+])c1cn[nH]n1 87600482 572592959 /nfs/dbraw/zinc/59/29/59/572592959.db2.gz UPIYMLXQYUYFKB-ZETCQYMHSA-N 1 1 166.228 1.161 10 30 ADEEMO C#CCCC[N@@H+]1CCOCC[C@@H]1C 306224420 572593023 /nfs/dbraw/zinc/59/30/23/572593023.db2.gz TYSXCUWYJPJUJT-NSHDSACASA-N 1 1 181.279 1.511 10 30 ADEEMO C=C(C)C[C@@H]([NH2+]C)c1c[nH]nn1 87600761 572593032 /nfs/dbraw/zinc/59/30/32/572593032.db2.gz DEWUFTLCKXLJHO-SSDOTTSWSA-N 1 1 166.228 1.031 10 30 ADEEMO C=C(C)C[C@@H]([NH2+]C)c1cn[nH]n1 87600761 572593036 /nfs/dbraw/zinc/59/30/36/572593036.db2.gz DEWUFTLCKXLJHO-SSDOTTSWSA-N 1 1 166.228 1.031 10 30 ADEEMO C=CC[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1CN 307585613 572593127 /nfs/dbraw/zinc/59/31/27/572593127.db2.gz MIRRJQXUQLCMIE-HBNTYKKESA-N 1 1 180.295 1.232 10 30 ADEEMO C=CCN1C[C@@H]2CCC[C@H]2[C@H]1C[NH3+] 307585613 572593138 /nfs/dbraw/zinc/59/31/38/572593138.db2.gz MIRRJQXUQLCMIE-HBNTYKKESA-N 1 1 180.295 1.232 10 30 ADEEMO C=C[C@H](C)[N@H+]1C[C@H](C)OC[C@H]1C 306203887 572593175 /nfs/dbraw/zinc/59/31/75/572593175.db2.gz DBDJVXDSZYCIMC-AEJSXWLSSA-N 1 1 169.268 1.670 10 30 ADEEMO C=CC[N@H+](C)[C@H](C)CSC 307538778 572593188 /nfs/dbraw/zinc/59/31/88/572593188.db2.gz SMZMOGUBFJQPNV-MRVPVSSYSA-N 1 1 159.298 1.856 10 30 ADEEMO C=CC[N@H+]1CCCO[C@@H]2CCC[C@@H]21 306288344 572593348 /nfs/dbraw/zinc/59/33/48/572593348.db2.gz MMCOYDPCMZEGFL-WDEREUQCSA-N 1 1 181.279 1.816 10 30 ADEEMO C#C[C@@H]([NH2+]CCC)c1cscn1 87595522 572593413 /nfs/dbraw/zinc/59/34/13/572593413.db2.gz HBXAPLNLIUEJGP-MRVPVSSYSA-N 1 1 180.276 1.817 10 30 ADEEMO C=C(C)C[C@H]([NH2+]C)c1c[nH]nn1 87600760 572593563 /nfs/dbraw/zinc/59/35/63/572593563.db2.gz DEWUFTLCKXLJHO-ZETCQYMHSA-N 1 1 166.228 1.031 10 30 ADEEMO C=C(C)C[C@H]([NH2+]C)c1cn[nH]n1 87600760 572593566 /nfs/dbraw/zinc/59/35/66/572593566.db2.gz DEWUFTLCKXLJHO-ZETCQYMHSA-N 1 1 166.228 1.031 10 30 ADEEMO C=CC[C@H]([NH2+]CC)c1c[nH]nn1 87600975 572593708 /nfs/dbraw/zinc/59/37/08/572593708.db2.gz UQEGNLZXMNYQHG-ZETCQYMHSA-N 1 1 166.228 1.031 10 30 ADEEMO C=CC[C@H]([NH2+]CC)c1cn[nH]n1 87600975 572593714 /nfs/dbraw/zinc/59/37/14/572593714.db2.gz UQEGNLZXMNYQHG-ZETCQYMHSA-N 1 1 166.228 1.031 10 30 ADEEMO C=CCCC[C@H]([NH2+]C)c1c[nH]nn1 87600644 572593784 /nfs/dbraw/zinc/59/37/84/572593784.db2.gz VGLGJFXGJFFIDS-QMMMGPOBSA-N 1 1 180.255 1.422 10 30 ADEEMO C=CCCC[C@H]([NH2+]C)c1cn[nH]n1 87600644 572593787 /nfs/dbraw/zinc/59/37/87/572593787.db2.gz VGLGJFXGJFFIDS-QMMMGPOBSA-N 1 1 180.255 1.422 10 30 ADEEMO CC#CCC[N@H+]1CC[C@H](CO)[C@H]1C 306248799 572593811 /nfs/dbraw/zinc/59/38/11/572593811.db2.gz ZHYHUDTZLKIDIN-GHMZBOCLSA-N 1 1 181.279 1.103 10 30 ADEEMO C=CCCC[C@@H]([NH2+]C)c1c[nH]nn1 87600645 572594111 /nfs/dbraw/zinc/59/41/11/572594111.db2.gz VGLGJFXGJFFIDS-MRVPVSSYSA-N 1 1 180.255 1.422 10 30 ADEEMO C=CCCC[C@@H]([NH2+]C)c1cn[nH]n1 87600645 572594114 /nfs/dbraw/zinc/59/41/14/572594114.db2.gz VGLGJFXGJFFIDS-MRVPVSSYSA-N 1 1 180.255 1.422 10 30 ADEEMO C=CCC[C@H]([NH2+]C)c1c[nH]nn1 87600666 572594124 /nfs/dbraw/zinc/59/41/24/572594124.db2.gz TUANJFYHOCCKAM-ZETCQYMHSA-N 1 1 166.228 1.031 10 30 ADEEMO C=CCC[C@H]([NH2+]C)c1cn[nH]n1 87600666 572594126 /nfs/dbraw/zinc/59/41/26/572594126.db2.gz TUANJFYHOCCKAM-ZETCQYMHSA-N 1 1 166.228 1.031 10 30 ADEEMO C=C(C)C[C@@H]([NH2+]CC)c1c[nH]nn1 87601030 572594233 /nfs/dbraw/zinc/59/42/33/572594233.db2.gz AMHBHXJDFOZEKB-MRVPVSSYSA-N 1 1 180.255 1.422 10 30 ADEEMO C=C(C)C[C@@H]([NH2+]CC)c1cn[nH]n1 87601030 572594235 /nfs/dbraw/zinc/59/42/35/572594235.db2.gz AMHBHXJDFOZEKB-MRVPVSSYSA-N 1 1 180.255 1.422 10 30 ADEEMO C=C(CC)C[C@@H]([NH3+])c1cn[nH]n1 87600483 572594376 /nfs/dbraw/zinc/59/43/76/572594376.db2.gz UPIYMLXQYUYFKB-SSDOTTSWSA-N 1 1 166.228 1.161 10 30 ADEEMO C=C(CC)C[C@@H]([NH2+]C)c1c[nH]nn1 87600844 572594422 /nfs/dbraw/zinc/59/44/22/572594422.db2.gz UCNGEDXQGKOAGA-MRVPVSSYSA-N 1 1 180.255 1.422 10 30 ADEEMO C=C(CC)C[C@@H]([NH2+]C)c1cn[nH]n1 87600844 572594424 /nfs/dbraw/zinc/59/44/24/572594424.db2.gz UCNGEDXQGKOAGA-MRVPVSSYSA-N 1 1 180.255 1.422 10 30 ADEEMO C=CCCC[C@H]([NH3+])c1cn[nH]n1 87600002 572595149 /nfs/dbraw/zinc/59/51/49/572595149.db2.gz TVOFRLKMTNRCAW-ZETCQYMHSA-N 1 1 166.228 1.161 10 30 ADEEMO C=CCC[C@@H]([NH2+]C)c1c[nH]nn1 87600667 572595291 /nfs/dbraw/zinc/59/52/91/572595291.db2.gz TUANJFYHOCCKAM-SSDOTTSWSA-N 1 1 166.228 1.031 10 30 ADEEMO C=CCC[C@@H]([NH2+]C)c1cn[nH]n1 87600667 572595294 /nfs/dbraw/zinc/59/52/94/572595294.db2.gz TUANJFYHOCCKAM-SSDOTTSWSA-N 1 1 166.228 1.031 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)C[C@H]1CCCOC1 306265558 572595689 /nfs/dbraw/zinc/59/56/89/572595689.db2.gz DFBMXFKXJUFIIW-GHMZBOCLSA-N 1 1 181.279 1.367 10 30 ADEEMO C#CC[N@H+](C)[C@@H](C)c1ccc(N)cc1 307566499 572595764 /nfs/dbraw/zinc/59/57/64/572595764.db2.gz OJOZEAYLPSIVIB-JTQLQIEISA-N 1 1 188.274 1.895 10 30 ADEEMO C#CC(C)(C)[N@H+](C)C/C=C/C 307594654 572595780 /nfs/dbraw/zinc/59/57/80/572595780.db2.gz KMIBXRSPYVFDRQ-SOFGYWHQSA-N 1 1 151.253 1.906 10 30 ADEEMO C=CC[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C[NH3+] 307585612 572595919 /nfs/dbraw/zinc/59/59/19/572595919.db2.gz MIRRJQXUQLCMIE-GARJFASQSA-N 1 1 180.295 1.232 10 30 ADEEMO C=CCN1C[C@@H]2CCC[C@@H]2[C@H]1C[NH3+] 307585612 572595920 /nfs/dbraw/zinc/59/59/20/572595920.db2.gz MIRRJQXUQLCMIE-GARJFASQSA-N 1 1 180.295 1.232 10 30 ADEEMO CC(C)[N@H+]1C[C@H](C)N(C)[C@H](CC#N)C1 251668513 572596060 /nfs/dbraw/zinc/59/60/60/572596060.db2.gz LJEFXPRMTUJZRF-WDEREUQCSA-N 1 1 195.310 1.313 10 30 ADEEMO C=CC[N@@H+]1CCC[C@@H](O)[C@H]1C=C 306222911 572596397 /nfs/dbraw/zinc/59/63/97/572596397.db2.gz XVTXZJLMXIWAIN-NXEZZACHSA-N 1 1 167.252 1.184 10 30 ADEEMO CC#CCC[N@H+]1[C@@H](C)C[C@H]1C 306209333 572596467 /nfs/dbraw/zinc/59/64/67/572596467.db2.gz MPOHFWDCKXLVQG-AOOOYVTPSA-N 1 1 151.253 1.883 10 30 ADEEMO CC#CCO[NH+]=C(N)CC1CC1 308070631 572596479 /nfs/dbraw/zinc/59/64/79/572596479.db2.gz BDRRBIXESSCZFN-UHFFFAOYSA-N 1 1 166.224 1.099 10 30 ADEEMO C=CC[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21 306206683 572596986 /nfs/dbraw/zinc/59/69/86/572596986.db2.gz CIJHDLRLOHRWBJ-TUAOUCFPSA-N 1 1 194.322 1.635 10 30 ADEEMO C=C(CC)C[C@H]([NH2+]CC)c1c[nH]nn1 87601081 572597839 /nfs/dbraw/zinc/59/78/39/572597839.db2.gz MQJGEXMVBFYWFS-VIFPVBQESA-N 1 1 194.282 1.812 10 30 ADEEMO C=CCC[C@H]([NH2+]CCC)c1cnn[nH]1 87601157 572597128 /nfs/dbraw/zinc/59/71/28/572597128.db2.gz LUNMLZUTOVCPAK-VIFPVBQESA-N 1 1 194.282 1.812 10 30 ADEEMO C=C(C)C[N@H+]1CC(C)(C)C[C@@H]1CO 306223091 572597228 /nfs/dbraw/zinc/59/72/28/572597228.db2.gz ROEMSFHZMWFKGL-SNVBAGLBSA-N 1 1 183.295 1.655 10 30 ADEEMO C=C(C)C[C@@H]([NH2+]CCC)c1cnn[nH]1 87601204 572597676 /nfs/dbraw/zinc/59/76/76/572597676.db2.gz JDBXYEBCGGVNFL-SECBINFHSA-N 1 1 194.282 1.812 10 30 ADEEMO C=CC[C@@H]([NH2+]CCC)c1cnn[nH]1 87601156 572597821 /nfs/dbraw/zinc/59/78/21/572597821.db2.gz IQKBRROQNXEJMV-MRVPVSSYSA-N 1 1 180.255 1.422 10 30 ADEEMO C=C(CC)C[C@H]([NH2+]CC)c1cn[nH]n1 87601081 572597842 /nfs/dbraw/zinc/59/78/42/572597842.db2.gz MQJGEXMVBFYWFS-VIFPVBQESA-N 1 1 194.282 1.812 10 30 ADEEMO C#CCC[C@@H]([NH2+]CCC)c1cnn[nH]1 87601188 572598036 /nfs/dbraw/zinc/59/80/36/572598036.db2.gz OBNJXBTVJIRCDK-SECBINFHSA-N 1 1 192.266 1.259 10 30 ADEEMO CC#CC[N@H+]1C[C@H](C)[C@H](O)C[C@H]1C 307537754 572598092 /nfs/dbraw/zinc/59/80/92/572598092.db2.gz JLVNHLHVVUNEJX-HBNTYKKESA-N 1 1 181.279 1.101 10 30 ADEEMO C=C[C@@H]1CCCC[N@@H+]1[C@@H]1C[C@@H]1CO 306365575 572598155 /nfs/dbraw/zinc/59/81/55/572598155.db2.gz GWEYDQYNIRZSMX-GMTAPVOTSA-N 1 1 181.279 1.408 10 30 ADEEMO C=CCc1c[nH+]c(C)n1C 306249461 572598207 /nfs/dbraw/zinc/59/82/07/572598207.db2.gz WQJLDKTYSAKZBG-UHFFFAOYSA-N 1 1 136.198 1.457 10 30 ADEEMO C=C(CC)C[N@H+]1CCC[NH2+][C@H](C)C1 306273007 572598256 /nfs/dbraw/zinc/59/82/56/572598256.db2.gz ZADYNZOIZZLZRZ-LLVKDONJSA-N 1 1 182.311 1.636 10 30 ADEEMO C=C(CC)CN1CCC[NH2+][C@H](C)C1 306273007 572598258 /nfs/dbraw/zinc/59/82/58/572598258.db2.gz ZADYNZOIZZLZRZ-LLVKDONJSA-N 1 1 182.311 1.636 10 30 ADEEMO C=C(C)C[C@H]([NH2+]CCC)c1cnn[nH]1 87601203 572598422 /nfs/dbraw/zinc/59/84/22/572598422.db2.gz JDBXYEBCGGVNFL-VIFPVBQESA-N 1 1 194.282 1.812 10 30 ADEEMO C=C(COC)[C@]1(O)CC[N@@H+](C)[C@@H](C)C1 307594226 572598460 /nfs/dbraw/zinc/59/84/60/572598460.db2.gz IIXNAWGPUVTCOG-QWRGUYRKSA-N 1 1 199.294 1.034 10 30 ADEEMO C#CCC[N@@H+]1C[C@@H]2CC[C@H](F)[C@H]2C1 306310804 572598727 /nfs/dbraw/zinc/59/87/27/572598727.db2.gz MLTKEFGFDRLRAO-DCAQKATOSA-N 1 1 181.254 1.690 10 30 ADEEMO C=CC[N@@H+]1C[C@H](CO)CC[C@H]1C 306342939 572598844 /nfs/dbraw/zinc/59/88/44/572598844.db2.gz MRGZCGFMBNECEE-NXEZZACHSA-N 1 1 169.268 1.265 10 30 ADEEMO CC#CCNC1CC[NH+](C2CC2)CC1 306344794 572601831 /nfs/dbraw/zinc/60/18/31/572601831.db2.gz OOMYQJKJWIGHJL-UHFFFAOYSA-N 1 1 192.306 1.226 10 30 ADEEMO CC#CC[C@H]([NH2+]C)c1coc(C)n1 306372641 572599460 /nfs/dbraw/zinc/59/94/60/572599460.db2.gz JTMYRSFSEOINGH-VIFPVBQESA-N 1 1 178.235 1.657 10 30 ADEEMO C=C(CC)C[C@@H]([NH2+]CC)c1c[nH]nn1 87601082 572599831 /nfs/dbraw/zinc/59/98/31/572599831.db2.gz MQJGEXMVBFYWFS-SECBINFHSA-N 1 1 194.282 1.812 10 30 ADEEMO C=C(CC)C[C@@H]([NH2+]CC)c1cn[nH]n1 87601082 572599836 /nfs/dbraw/zinc/59/98/36/572599836.db2.gz MQJGEXMVBFYWFS-SECBINFHSA-N 1 1 194.282 1.812 10 30 ADEEMO C#CC[N@@H+]1C[C@@H](C)CC(C)(C)C1 307510109 572606645 /nfs/dbraw/zinc/60/66/45/572606645.db2.gz CKHQHWJVANINIR-JTQLQIEISA-N 1 1 165.280 1.988 10 30 ADEEMO C#CCC[C@H]([NH2+]CCC)c1cnn[nH]1 87601187 572600023 /nfs/dbraw/zinc/60/00/23/572600023.db2.gz OBNJXBTVJIRCDK-VIFPVBQESA-N 1 1 192.266 1.259 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCCC[C@@H](C[NH3+])C1 307586827 572600056 /nfs/dbraw/zinc/60/00/56/572600056.db2.gz QVMZMBYMTLOZCB-QWRGUYRKSA-N 1 1 182.311 1.622 10 30 ADEEMO CC(C)C[C@H]1CC[N@@H+](C[C@H]2CO2)C1 307843444 572600068 /nfs/dbraw/zinc/60/00/68/572600068.db2.gz GYDKQHQBUQHENP-MNOVXSKESA-N 1 1 183.295 1.753 10 30 ADEEMO C=C(C)[C@@H]1CC[C@](C)([NH3+])[C@H](N)C1 306302162 572600080 /nfs/dbraw/zinc/60/00/80/572600080.db2.gz YSRYTSMGSHUDCE-BBBLOLIVSA-N 1 1 168.284 1.407 10 30 ADEEMO C=C[C@@H]1CCCC[N@@H+]1[C@H]1C[C@H]1CO 306365574 572600924 /nfs/dbraw/zinc/60/09/24/572600924.db2.gz GWEYDQYNIRZSMX-AXFHLTTASA-N 1 1 181.279 1.408 10 30 ADEEMO CC(C)C[C@H]1CC[N@@H+](C[C@@H]2CO2)C1 307843442 572600930 /nfs/dbraw/zinc/60/09/30/572600930.db2.gz GYDKQHQBUQHENP-GHMZBOCLSA-N 1 1 183.295 1.753 10 30 ADEEMO C#C[C@H](C)[N@H+](C)CCC 307548704 572600945 /nfs/dbraw/zinc/60/09/45/572600945.db2.gz MTMULEPTVWPBGT-QMMMGPOBSA-N 1 1 125.215 1.350 10 30 ADEEMO CC(C)C[C@@H]1CC[N@@H+](C[C@@H]2CO2)C1 307843447 572600999 /nfs/dbraw/zinc/60/09/99/572600999.db2.gz GYDKQHQBUQHENP-WDEREUQCSA-N 1 1 183.295 1.753 10 30 ADEEMO CC(C)C[C@@H]1CC[N@@H+](C[C@H]2CO2)C1 307843446 572601046 /nfs/dbraw/zinc/60/10/46/572601046.db2.gz GYDKQHQBUQHENP-QWRGUYRKSA-N 1 1 183.295 1.753 10 30 ADEEMO C[N@@H+](CCC[C@@H]1CO1)CC1CC1 308071631 572601236 /nfs/dbraw/zinc/60/12/36/572601236.db2.gz BTTDZDNEDCJHJD-SNVBAGLBSA-N 1 1 169.268 1.507 10 30 ADEEMO C#CC[C@H]([NH3+])C(=O)c1cocc1C 307596788 572601355 /nfs/dbraw/zinc/60/13/55/572601355.db2.gz MQWNCJQNHZKZDD-VIFPVBQESA-N 1 1 177.203 1.121 10 30 ADEEMO C#CC[N@@H+]1C[C@H](C)O[C@H](C)[C@H]1C 306373883 572601552 /nfs/dbraw/zinc/60/15/52/572601552.db2.gz KLVAOOGIWUWSPM-IVZWLZJFSA-N 1 1 167.252 1.117 10 30 ADEEMO C=CCC[N@H+]1CCN[C@H]2CCCC[C@H]21 306347843 572601587 /nfs/dbraw/zinc/60/15/87/572601587.db2.gz SGZCTAQQVSWTNH-NWDGAFQWSA-N 1 1 194.322 1.779 10 30 ADEEMO C=CCCN1CC[NH2+][C@H]2CCCC[C@H]21 306347843 572601589 /nfs/dbraw/zinc/60/15/89/572601589.db2.gz SGZCTAQQVSWTNH-NWDGAFQWSA-N 1 1 194.322 1.779 10 30 ADEEMO C#CC[N@@H+](C)CCc1nccs1 308071992 572602095 /nfs/dbraw/zinc/60/20/95/572602095.db2.gz CBFMHYKMFCTHMG-UHFFFAOYSA-N 1 1 180.276 1.251 10 30 ADEEMO C#CC[N@@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C 306373882 572602316 /nfs/dbraw/zinc/60/23/16/572602316.db2.gz KLVAOOGIWUWSPM-GUBZILKMSA-N 1 1 167.252 1.117 10 30 ADEEMO CC#CC[N@H+]1CCC[C@@H]2C[C@@H]21 306344877 572602356 /nfs/dbraw/zinc/60/23/56/572602356.db2.gz NNKTWUZZKJXXAL-ZJUUUORDSA-N 1 1 149.237 1.494 10 30 ADEEMO C[N@@H+](CCC[C@H]1CO1)CC1CC1 308071624 572602378 /nfs/dbraw/zinc/60/23/78/572602378.db2.gz BTTDZDNEDCJHJD-JTQLQIEISA-N 1 1 169.268 1.507 10 30 ADEEMO C#C[C@@H](C)[NH2+]Cc1oc(C)nc1C 306398350 572603194 /nfs/dbraw/zinc/60/31/94/572603194.db2.gz YPESSNWRHVBAED-SSDOTTSWSA-N 1 1 178.235 1.403 10 30 ADEEMO C[C@H]1C[N@@H+](CCC=O)C[C@@H](C)S1 69908863 572603204 /nfs/dbraw/zinc/60/32/04/572603204.db2.gz XJIDNUZFHKIUOK-DTORHVGOSA-N 1 1 187.308 1.401 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)CC(C)(C)C 306352769 572603267 /nfs/dbraw/zinc/60/32/67/572603267.db2.gz ABHHIRKDYUANOH-SECBINFHSA-N 1 1 153.269 1.986 10 30 ADEEMO C=CC[C@@H](O)c1c[nH+]c(C)n1C 306366273 572603452 /nfs/dbraw/zinc/60/34/52/572603452.db2.gz DYAJRARXHPTTFK-SECBINFHSA-N 1 1 166.224 1.338 10 30 ADEEMO C=C[C@H](C)[N@H+]1CC[C@](O)(C2CC2)C1 307572774 572603672 /nfs/dbraw/zinc/60/36/72/572603672.db2.gz ZIRKPNVHKWABCL-GXSJLCMTSA-N 1 1 181.279 1.408 10 30 ADEEMO C=C[C@H]1CC[N@H+]2CCC[C@H]12 306313624 572603709 /nfs/dbraw/zinc/60/37/09/572603709.db2.gz OTNJYVLZQPFVJM-DTWKUNHWSA-N 1 1 137.226 1.657 10 30 ADEEMO C#CC[N@H+](CC=C)CCC 306330929 572604101 /nfs/dbraw/zinc/60/41/01/572604101.db2.gz PCNISMLNDKUYQJ-UHFFFAOYSA-N 1 1 137.226 1.518 10 30 ADEEMO CC#CC[N@H+]1CCC[C@H]2C[C@H]21 306344876 572604772 /nfs/dbraw/zinc/60/47/72/572604772.db2.gz NNKTWUZZKJXXAL-VHSXEESVSA-N 1 1 149.237 1.494 10 30 ADEEMO C=CC[N@@H+]1CC[C@H](C)[C@H]1C 306353140 572604793 /nfs/dbraw/zinc/60/47/93/572604793.db2.gz AMECIGPPRULKFH-DTWKUNHWSA-N 1 1 139.242 1.903 10 30 ADEEMO C#C[C@@H](CC)[NH2+][C@@H]1CCn2ccnc21 307591684 572605047 /nfs/dbraw/zinc/60/50/47/572605047.db2.gz HPAOSABVBQVPML-VHSXEESVSA-N 1 1 189.262 1.329 10 30 ADEEMO C=C1CCN(C[C@H]2C[NH2+]C[C@H]2C)CC1 307584420 572605109 /nfs/dbraw/zinc/60/51/09/572605109.db2.gz IHCUVAUBZFCYPQ-VXGBXAGGSA-N 1 1 194.322 1.494 10 30 ADEEMO C=CC(C)(C)C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 307566161 572605201 /nfs/dbraw/zinc/60/52/01/572605201.db2.gz SGBDOVUYXMSMLG-WDEREUQCSA-N 1 1 196.338 1.868 10 30 ADEEMO C#CC[N@@H+](C)[C@@H](C)c1ccco1 307565185 572605690 /nfs/dbraw/zinc/60/56/90/572605690.db2.gz BZPZLSAVUMKHND-VIFPVBQESA-N 1 1 163.220 1.906 10 30 ADEEMO C#CC[N@H+](C)[C@@H](C)c1ccco1 307565185 572605694 /nfs/dbraw/zinc/60/56/94/572605694.db2.gz BZPZLSAVUMKHND-VIFPVBQESA-N 1 1 163.220 1.906 10 30 ADEEMO C#CCC[N@@H+]1CC=CCC1 306358076 572605952 /nfs/dbraw/zinc/60/59/52/572605952.db2.gz YNUXYTPRYWGLBQ-UHFFFAOYSA-N 1 1 135.210 1.272 10 30 ADEEMO C=CC[N@@H+]1C[C@@H](CO)CC[C@@H]1C 306342941 572606217 /nfs/dbraw/zinc/60/62/17/572606217.db2.gz MRGZCGFMBNECEE-UWVGGRQHSA-N 1 1 169.268 1.265 10 30 ADEEMO C[C@H]1C[NH+](C[C@@H](C)C#N)C[C@H](C)S1 69908504 572606653 /nfs/dbraw/zinc/60/66/53/572606653.db2.gz ANJZMJXVXYSTLS-GUBZILKMSA-N 1 1 198.335 1.972 10 30 ADEEMO C#CC[N@@H+]1CCCC[C@H](F)C1 306342858 572607297 /nfs/dbraw/zinc/60/72/97/572607297.db2.gz BDIMLQGPLJJJDO-VIFPVBQESA-N 1 1 155.216 1.444 10 30 ADEEMO CC#Cc1nnc([C@@H]([NH3+])CCC)o1 306342232 572607483 /nfs/dbraw/zinc/60/74/83/572607483.db2.gz ZMISIPFEPJHQND-ZETCQYMHSA-N 1 1 179.223 1.241 10 30 ADEEMO C=C[C@H](C)[N@@H+]1CCO[C@H](CC)C1 307583820 572607502 /nfs/dbraw/zinc/60/75/02/572607502.db2.gz ZYLMONGBMQVMBZ-VHSXEESVSA-N 1 1 169.268 1.672 10 30 ADEEMO C=C[C@H](C)[N@H+]1C[C@H](C)N(C)[C@H](C)C1 306327298 572607652 /nfs/dbraw/zinc/60/76/52/572607652.db2.gz VIUJMVUFDFAIIG-GARJFASQSA-N 1 1 182.311 1.585 10 30 ADEEMO C=C[C@H](C)N1C[C@H](C)[N@H+](C)[C@H](C)C1 306327298 572607656 /nfs/dbraw/zinc/60/76/56/572607656.db2.gz VIUJMVUFDFAIIG-GARJFASQSA-N 1 1 182.311 1.585 10 30 ADEEMO C=C[C@H](C)N1C[C@H](C)[N@@H+](C)[C@H](C)C1 306327298 572607659 /nfs/dbraw/zinc/60/76/59/572607659.db2.gz VIUJMVUFDFAIIG-GARJFASQSA-N 1 1 182.311 1.585 10 30 ADEEMO C#CC[NH2+][C@]1(CN)CCCC12CCC2 307568457 572607669 /nfs/dbraw/zinc/60/76/69/572607669.db2.gz TVPJRAKWQZIRFG-LBPRGKRZSA-N 1 1 192.306 1.261 10 30 ADEEMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H]1C 307554285 572607732 /nfs/dbraw/zinc/60/77/32/572607732.db2.gz MEAPLLQPOZZPLW-RKDXNWHRSA-N 1 1 139.242 1.903 10 30 ADEEMO C=CC[N@H+]1C[C@@H](C)N(C)[C@H](CC#N)C1 251680584 572607814 /nfs/dbraw/zinc/60/78/14/572607814.db2.gz MKEHRMYIOMCGFZ-GHMZBOCLSA-N 1 1 193.294 1.091 10 30 ADEEMO C=CC[N@@H+]1C[C@@H](C)N(C)[C@H](CC#N)C1 251680584 572607821 /nfs/dbraw/zinc/60/78/21/572607821.db2.gz MKEHRMYIOMCGFZ-GHMZBOCLSA-N 1 1 193.294 1.091 10 30 ADEEMO C#CC[N@@H+]1C[C@H](C)O[C@H](C)[C@@H]1C 306373884 572608306 /nfs/dbraw/zinc/60/83/06/572608306.db2.gz KLVAOOGIWUWSPM-LPEHRKFASA-N 1 1 167.252 1.117 10 30 ADEEMO C=CC[N@@H+](C)CCOC(F)(F)F 308073559 572608317 /nfs/dbraw/zinc/60/83/17/572608317.db2.gz BUCFJGVJAGRTSZ-UHFFFAOYSA-N 1 1 183.173 1.641 10 30 ADEEMO CC#CC[C@@H]([NH2+]C)c1coc(C)n1 306372640 572608453 /nfs/dbraw/zinc/60/84/53/572608453.db2.gz JTMYRSFSEOINGH-SECBINFHSA-N 1 1 178.235 1.657 10 30 ADEEMO C=C[C@H](C)[NH+]1CCN(C(C)C)CC1 307582224 572608500 /nfs/dbraw/zinc/60/85/00/572608500.db2.gz UJXMUJKCHVBWQD-NSHDSACASA-N 1 1 182.311 1.587 10 30 ADEEMO C[N@@H+](CCC1CC1)CC[C@H]1CO1 308073519 572608579 /nfs/dbraw/zinc/60/85/79/572608579.db2.gz DFAVHEOYOVTATQ-JTQLQIEISA-N 1 1 169.268 1.507 10 30 ADEEMO C[C@@H]1C[N@@H+](C)C[C@@H](CC#N)N1C1CC1 251673299 572610305 /nfs/dbraw/zinc/61/03/05/572610305.db2.gz LSYPQTVMSHFPCS-MWLCHTKSSA-N 1 1 193.294 1.067 10 30 ADEEMO C#CCO[NH+]=c1cc(C)[nH]c(C)c1 306323268 572608775 /nfs/dbraw/zinc/60/87/75/572608775.db2.gz ZRROEPVKPJBCJQ-UHFFFAOYSA-N 1 1 176.219 1.675 10 30 ADEEMO C=CC[N@H+]1C[C@H](C)N(C)[C@H](CC#N)C1 251680585 572608792 /nfs/dbraw/zinc/60/87/92/572608792.db2.gz MKEHRMYIOMCGFZ-WDEREUQCSA-N 1 1 193.294 1.091 10 30 ADEEMO C=CC[N@@H+]1C[C@H](C)N(C)[C@H](CC#N)C1 251680585 572608795 /nfs/dbraw/zinc/60/87/95/572608795.db2.gz MKEHRMYIOMCGFZ-WDEREUQCSA-N 1 1 193.294 1.091 10 30 ADEEMO C=CC[C@]12CCCC[N@@H+]1CCC[C@@H]2O 306372353 572610311 /nfs/dbraw/zinc/61/03/11/572610311.db2.gz OBSXGUWMCGQBHJ-NWDGAFQWSA-N 1 1 195.306 1.942 10 30 ADEEMO C[N@@H+](CCC1CC1)CC[C@@H]1CO1 308073520 572609009 /nfs/dbraw/zinc/60/90/09/572609009.db2.gz DFAVHEOYOVTATQ-SNVBAGLBSA-N 1 1 169.268 1.507 10 30 ADEEMO C=C(C)C[N@@H+]1CCN(C)CC[C@@H]1C 306320149 572609427 /nfs/dbraw/zinc/60/94/27/572609427.db2.gz IWHVOBQFRAACQW-NSHDSACASA-N 1 1 182.311 1.589 10 30 ADEEMO C=C(C)CN1CC[N@@H+](C)CC[C@@H]1C 306320149 572609434 /nfs/dbraw/zinc/60/94/34/572609434.db2.gz IWHVOBQFRAACQW-NSHDSACASA-N 1 1 182.311 1.589 10 30 ADEEMO C=C(C)CN1CC[N@H+](C)CC[C@@H]1C 306320149 572609437 /nfs/dbraw/zinc/60/94/37/572609437.db2.gz IWHVOBQFRAACQW-NSHDSACASA-N 1 1 182.311 1.589 10 30 ADEEMO C[C@H]1C[N@@H+](C)C[C@@H](CC#N)N1C1CC1 251673295 572609881 /nfs/dbraw/zinc/60/98/81/572609881.db2.gz LSYPQTVMSHFPCS-GXSJLCMTSA-N 1 1 193.294 1.067 10 30 ADEEMO C=C(C[N@H+]1CCC[C@H](C)C1)OC 306306934 572610207 /nfs/dbraw/zinc/61/02/07/572610207.db2.gz QOXMMVKSAIRVQI-VIFPVBQESA-N 1 1 169.268 1.878 10 30 ADEEMO C=C(C)C[N@@H+]1CCN2CCC1CC2 307578935 572610283 /nfs/dbraw/zinc/61/02/83/572610283.db2.gz ONPLCPQUVHREGB-UHFFFAOYSA-N 1 1 180.295 1.343 10 30 ADEEMO C=C(C)C[N@H+]1CCN2CCC1CC2 307578935 572610286 /nfs/dbraw/zinc/61/02/86/572610286.db2.gz ONPLCPQUVHREGB-UHFFFAOYSA-N 1 1 180.295 1.343 10 30 ADEEMO N#C[C@]1(CCCCF)CCC[NH2+]1 308073789 572610989 /nfs/dbraw/zinc/61/09/89/572610989.db2.gz CNKOVUXTKUTEPR-VIFPVBQESA-N 1 1 170.231 1.772 10 30 ADEEMO N#C[C@@]1(CCCCF)CCC[NH2+]1 308073788 572611130 /nfs/dbraw/zinc/61/11/30/572611130.db2.gz CNKOVUXTKUTEPR-SECBINFHSA-N 1 1 170.231 1.772 10 30 ADEEMO C#CCCC[N@@H+]1CCC1(C)C 306345124 572611421 /nfs/dbraw/zinc/61/14/21/572611421.db2.gz PDKJEDPRCKAKBE-UHFFFAOYSA-N 1 1 151.253 1.884 10 30 ADEEMO C#CCOc1cc[nH+]c(C)c1 306311035 572611674 /nfs/dbraw/zinc/61/16/74/572611674.db2.gz UUIJOMSKGPVFGU-UHFFFAOYSA-N 1 1 147.177 1.402 10 30 ADEEMO O=CCn1c[nH+]c2c1CCCCC2 74306175 572612341 /nfs/dbraw/zinc/61/23/41/572612341.db2.gz LHATUHZIIXSMIW-UHFFFAOYSA-N 1 1 178.235 1.351 10 30 ADEEMO C#CC1([N@@H+](C)CCO)CCCCC1 140860445 572612516 /nfs/dbraw/zinc/61/25/16/572612516.db2.gz YLSFKGUKQWODES-UHFFFAOYSA-N 1 1 181.279 1.247 10 30 ADEEMO C#CC[NH2+][C@H]1COc2ccc(F)cc21 306384534 572612539 /nfs/dbraw/zinc/61/25/39/572612539.db2.gz WFNMUAUDJBDCHZ-JTQLQIEISA-N 1 1 191.205 1.482 10 30 ADEEMO C=C(C[NH3+])C[N@@H+]1C[C@H]2[C@@H](C1)C2(C)C 307569144 572612671 /nfs/dbraw/zinc/61/26/71/572612671.db2.gz VOQGXHDPZXAJRD-AOOOYVTPSA-N 1 1 180.295 1.089 10 30 ADEEMO C[C@@H]1CC[N@H+](C2CC2)C[C@@H](CC#N)N1 251699332 572612797 /nfs/dbraw/zinc/61/27/97/572612797.db2.gz NXQYPPOWXMYYHZ-NXEZZACHSA-N 1 1 193.294 1.115 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)CC(C)(C)C 306352772 572613051 /nfs/dbraw/zinc/61/30/51/572613051.db2.gz ABHHIRKDYUANOH-VIFPVBQESA-N 1 1 153.269 1.986 10 30 ADEEMO C=CCCC[N@H+](C)[C@H]1C[C@@H]1CO 308075632 572613100 /nfs/dbraw/zinc/61/31/00/572613100.db2.gz CQPBHWYPXYDUQN-ZJUUUORDSA-N 1 1 169.268 1.265 10 30 ADEEMO C#C[C@H](C)[NH2+][C@@H]1CCN(CC)C[C@@H]1C 306398883 572613138 /nfs/dbraw/zinc/61/31/38/572613138.db2.gz KEMJPKOHGQQMEQ-SDDRHHMPSA-N 1 1 194.322 1.328 10 30 ADEEMO C#C[C@H](C)N[C@@H]1CC[N@@H+](CC)C[C@@H]1C 306398883 572613144 /nfs/dbraw/zinc/61/31/44/572613144.db2.gz KEMJPKOHGQQMEQ-SDDRHHMPSA-N 1 1 194.322 1.328 10 30 ADEEMO C#C[C@H](C)N[C@@H]1CC[N@H+](CC)C[C@@H]1C 306398883 572613147 /nfs/dbraw/zinc/61/31/47/572613147.db2.gz KEMJPKOHGQQMEQ-SDDRHHMPSA-N 1 1 194.322 1.328 10 30 ADEEMO C=C(C[N@@H+]1C[C@@H](C)OC[C@H]1C)OC 306309338 572613359 /nfs/dbraw/zinc/61/33/59/572613359.db2.gz IJXAWVIKWODWEB-PSASIEDQSA-N 1 1 185.267 1.256 10 30 ADEEMO C=C(C[N@H+]1C[C@@H](C)OC[C@H]1C)OC 306309338 572613363 /nfs/dbraw/zinc/61/33/63/572613363.db2.gz IJXAWVIKWODWEB-PSASIEDQSA-N 1 1 185.267 1.256 10 30 ADEEMO C=C[C@@H]1CCCC[N@@H+]1[C@H]1C[C@@H]1CO 306365578 572613444 /nfs/dbraw/zinc/61/34/44/572613444.db2.gz GWEYDQYNIRZSMX-MXWKQRLJSA-N 1 1 181.279 1.408 10 30 ADEEMO C=C(C)[C@@]1(O)CC[N@H+](CCC)C1 306397801 572613488 /nfs/dbraw/zinc/61/34/88/572613488.db2.gz ILWNQUWHFAAJEL-SNVBAGLBSA-N 1 1 169.268 1.409 10 30 ADEEMO C#CC[NH2+][C@H](C#C)c1ccccc1 306393532 572613518 /nfs/dbraw/zinc/61/35/18/572613518.db2.gz KCSANODDDXNQRN-GFCCVEGCSA-N 1 1 169.227 1.584 10 30 ADEEMO C=C(C[N@@H+]1C[C@H](C)OC[C@H]1C)OC 306309343 572613673 /nfs/dbraw/zinc/61/36/73/572613673.db2.gz IJXAWVIKWODWEB-SCZZXKLOSA-N 1 1 185.267 1.256 10 30 ADEEMO C=C(C[N@H+]1C[C@H](C)OC[C@H]1C)OC 306309343 572613677 /nfs/dbraw/zinc/61/36/77/572613677.db2.gz IJXAWVIKWODWEB-SCZZXKLOSA-N 1 1 185.267 1.256 10 30 ADEEMO C=C(Cl)C[N@H+](C)C1CCOCC1 307527619 572613836 /nfs/dbraw/zinc/61/38/36/572613836.db2.gz SIFVFUJSHCUVGB-UHFFFAOYSA-N 1 1 189.686 1.850 10 30 ADEEMO CN[C@H](C#N)C[N@@H+]1CCCCC[C@@H]1C 69945560 572613948 /nfs/dbraw/zinc/61/39/48/572613948.db2.gz SYRMEHBGWDHLBA-WDEREUQCSA-N 1 1 195.310 1.362 10 30 ADEEMO CN[C@H](C#N)C[N@H+]1CCCCC[C@@H]1C 69945560 572613952 /nfs/dbraw/zinc/61/39/52/572613952.db2.gz SYRMEHBGWDHLBA-WDEREUQCSA-N 1 1 195.310 1.362 10 30 ADEEMO C[C@H]1CC[N@H+](C2CC2)C[C@@H](CC#N)N1 251699335 572614211 /nfs/dbraw/zinc/61/42/11/572614211.db2.gz NXQYPPOWXMYYHZ-VHSXEESVSA-N 1 1 193.294 1.115 10 30 ADEEMO C[C@H]1CCCCC[N@H+]1CCC=O 69945275 572614343 /nfs/dbraw/zinc/61/43/43/572614343.db2.gz CMEGZMVRGPYRGK-JTQLQIEISA-N 1 1 169.268 1.840 10 30 ADEEMO CCOCC[C@]1(C#N)CCC[NH2+]1 308075197 572615091 /nfs/dbraw/zinc/61/50/91/572615091.db2.gz DDQCJIXPPVBAOR-VIFPVBQESA-N 1 1 168.240 1.059 10 30 ADEEMO C[C@@H]1CCCCC[N@H+]1CCC=O 69945274 572615288 /nfs/dbraw/zinc/61/52/88/572615288.db2.gz CMEGZMVRGPYRGK-SNVBAGLBSA-N 1 1 169.268 1.840 10 30 ADEEMO C=CCCC[N@H+](C)[C@H]1C[C@H]1CO 308075629 572615309 /nfs/dbraw/zinc/61/53/09/572615309.db2.gz CQPBHWYPXYDUQN-UWVGGRQHSA-N 1 1 169.268 1.265 10 30 ADEEMO C=CCON[C@@H]1C[NH2+]Cc2cocc21 140850475 572615396 /nfs/dbraw/zinc/61/53/96/572615396.db2.gz VMBUNHVFJOQBRJ-SNVBAGLBSA-N 1 1 194.234 1.131 10 30 ADEEMO C=C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[NH2+]1 115343711 572615767 /nfs/dbraw/zinc/61/57/67/572615767.db2.gz ZVKIAQSXZRBUHF-RKDXNWHRSA-N 1 1 197.278 1.635 10 30 ADEEMO CCOCC[C@@]1(C#N)CCC[NH2+]1 308075192 572615835 /nfs/dbraw/zinc/61/58/35/572615835.db2.gz DDQCJIXPPVBAOR-SECBINFHSA-N 1 1 168.240 1.059 10 30 ADEEMO C=CC[N@@H+]1C[C@H](C)[C@H](O)C[C@@H]1C 306317982 572615895 /nfs/dbraw/zinc/61/58/95/572615895.db2.gz IEFWBNNEUNBEAY-LPEHRKFASA-N 1 1 169.268 1.264 10 30 ADEEMO C[C@@H]1CCCCC[N@H+]1CC/C(N)=N/O 69945100 572615896 /nfs/dbraw/zinc/61/58/96/572615896.db2.gz FPDYDCBUPGUBAV-SECBINFHSA-N 1 1 199.298 1.387 10 30 ADEEMO C[C@H]1CCCCC[N@H+]1CC/C(N)=N/O 69945101 572615925 /nfs/dbraw/zinc/61/59/25/572615925.db2.gz FPDYDCBUPGUBAV-VIFPVBQESA-N 1 1 199.298 1.387 10 30 ADEEMO CN[C@H](C#N)C[N@@H+]1CCCCC[C@H]1C 69945559 572615952 /nfs/dbraw/zinc/61/59/52/572615952.db2.gz SYRMEHBGWDHLBA-GHMZBOCLSA-N 1 1 195.310 1.362 10 30 ADEEMO CN[C@H](C#N)C[N@H+]1CCCCC[C@H]1C 69945559 572615955 /nfs/dbraw/zinc/61/59/55/572615955.db2.gz SYRMEHBGWDHLBA-GHMZBOCLSA-N 1 1 195.310 1.362 10 30 ADEEMO C=CCCC[N@H+](C)[C@@H]1C[C@@H]1CO 308075079 572615971 /nfs/dbraw/zinc/61/59/71/572615971.db2.gz CQPBHWYPXYDUQN-NXEZZACHSA-N 1 1 169.268 1.265 10 30 ADEEMO C=C(C[N@@H+]1C[C@@H](C)OC[C@@H]1C)OC 306309350 572616046 /nfs/dbraw/zinc/61/60/46/572616046.db2.gz IJXAWVIKWODWEB-WCBMZHEXSA-N 1 1 185.267 1.256 10 30 ADEEMO C=C(C[N@H+]1C[C@@H](C)OC[C@@H]1C)OC 306309350 572616050 /nfs/dbraw/zinc/61/60/50/572616050.db2.gz IJXAWVIKWODWEB-WCBMZHEXSA-N 1 1 185.267 1.256 10 30 ADEEMO C=CCCC[N@H+](C)[C@@H]1C[C@H]1CO 308075630 572616061 /nfs/dbraw/zinc/61/60/61/572616061.db2.gz CQPBHWYPXYDUQN-VHSXEESVSA-N 1 1 169.268 1.265 10 30 ADEEMO CC(C)C[N@H+]1CCN(C)[C@@H](CC#N)C1 250542974 572616117 /nfs/dbraw/zinc/61/61/17/572616117.db2.gz CCTXSTLNJUKJAD-NSHDSACASA-N 1 1 195.310 1.172 10 30 ADEEMO C=CC[N@H+](C)[C@@H](C)C=C 306310249 572616358 /nfs/dbraw/zinc/61/63/58/572616358.db2.gz SWZCNALPYIILIJ-QMMMGPOBSA-N 1 1 125.215 1.679 10 30 ADEEMO C=C(C)[C@@H]([NH2+]C)c1coc(C)n1 306335853 572616414 /nfs/dbraw/zinc/61/64/14/572616414.db2.gz UAFSDBDFHDSODK-SECBINFHSA-N 1 1 166.224 1.820 10 30 ADEEMO C=C[C@H]1CC[C@H](C(=O)OC(C)(C)C)[NH2+]1 115343707 572616540 /nfs/dbraw/zinc/61/65/40/572616540.db2.gz ZVKIAQSXZRBUHF-DTWKUNHWSA-N 1 1 197.278 1.635 10 30 ADEEMO C#CCC[N@H+]1CCS[C@@H]2CCC[C@@H]21 307526048 572616702 /nfs/dbraw/zinc/61/67/02/572616702.db2.gz CFZSUOXAXPWAOP-WDEREUQCSA-N 1 1 195.331 1.980 10 30 ADEEMO CC#CCCN1CC[C@@]2(CC[NH2+]C2)C1 306352920 572616703 /nfs/dbraw/zinc/61/67/03/572616703.db2.gz OVYSTTQWJYVADK-GFCCVEGCSA-N 1 1 192.306 1.085 10 30 ADEEMO C=C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)[NH2+]1 115343429 572616793 /nfs/dbraw/zinc/61/67/93/572616793.db2.gz ZVKIAQSXZRBUHF-IUCAKERBSA-N 1 1 197.278 1.635 10 30 ADEEMO CCCc1[nH+]ccn1[C@H](C)C#N 69964048 572617020 /nfs/dbraw/zinc/61/70/20/572617020.db2.gz WDGQRAAQOIDARP-MRVPVSSYSA-N 1 1 163.224 1.920 10 30 ADEEMO C=CCCCCC[C@@H]([NH3+])C(=O)OC 115298629 572617410 /nfs/dbraw/zinc/61/74/10/572617410.db2.gz GLYOGBBOZCIQKV-SECBINFHSA-N 1 1 185.267 1.623 10 30 ADEEMO CCCc1[nH+]ccn1[C@@H](C)C#N 69964046 572617461 /nfs/dbraw/zinc/61/74/61/572617461.db2.gz WDGQRAAQOIDARP-QMMMGPOBSA-N 1 1 163.224 1.920 10 30 ADEEMO CCCc1[nH+]ccn1CC=O 69964273 572617672 /nfs/dbraw/zinc/61/76/72/572617672.db2.gz OKSLPRJFSZFKFF-UHFFFAOYSA-N 1 1 152.197 1.035 10 30 ADEEMO C=C(COC)[C@@]1(O)CC[N@@H+](C)[C@H](C)C1 307594224 572617812 /nfs/dbraw/zinc/61/78/12/572617812.db2.gz IIXNAWGPUVTCOG-GHMZBOCLSA-N 1 1 199.294 1.034 10 30 ADEEMO C#C[C@H](C)[NH2+][C@H]1CCN(CC)C[C@@H]1C 306398884 572617860 /nfs/dbraw/zinc/61/78/60/572617860.db2.gz KEMJPKOHGQQMEQ-SRVKXCTJSA-N 1 1 194.322 1.328 10 30 ADEEMO C#C[C@H](C)N[C@H]1CC[N@@H+](CC)C[C@@H]1C 306398884 572617865 /nfs/dbraw/zinc/61/78/65/572617865.db2.gz KEMJPKOHGQQMEQ-SRVKXCTJSA-N 1 1 194.322 1.328 10 30 ADEEMO C#C[C@H](C)N[C@H]1CC[N@H+](CC)C[C@@H]1C 306398884 572617868 /nfs/dbraw/zinc/61/78/68/572617868.db2.gz KEMJPKOHGQQMEQ-SRVKXCTJSA-N 1 1 194.322 1.328 10 30 ADEEMO C#C[C@H](C)[NH2+][C@H]1CCN(CC)C[C@H]1C 306398885 572618285 /nfs/dbraw/zinc/61/82/85/572618285.db2.gz KEMJPKOHGQQMEQ-WOPDTQHZSA-N 1 1 194.322 1.328 10 30 ADEEMO C#C[C@H](C)N[C@H]1CC[N@@H+](CC)C[C@H]1C 306398885 572618288 /nfs/dbraw/zinc/61/82/88/572618288.db2.gz KEMJPKOHGQQMEQ-WOPDTQHZSA-N 1 1 194.322 1.328 10 30 ADEEMO C#C[C@H](C)N[C@H]1CC[N@H+](CC)C[C@H]1C 306398885 572618291 /nfs/dbraw/zinc/61/82/91/572618291.db2.gz KEMJPKOHGQQMEQ-WOPDTQHZSA-N 1 1 194.322 1.328 10 30 ADEEMO C=C(C)[C@]1(O)CC[N@H+](CCC)C1 306397800 572618299 /nfs/dbraw/zinc/61/82/99/572618299.db2.gz ILWNQUWHFAAJEL-JTQLQIEISA-N 1 1 169.268 1.409 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)CCC=C 306331437 572618685 /nfs/dbraw/zinc/61/86/85/572618685.db2.gz QRJPSCQFIYSNDD-VIFPVBQESA-N 1 1 137.226 1.516 10 30 ADEEMO C#CCC[N@H+]1C[C@H]2[C@H](F)CC[C@H]2C1 306310807 572619231 /nfs/dbraw/zinc/61/92/31/572619231.db2.gz MLTKEFGFDRLRAO-HBNTYKKESA-N 1 1 181.254 1.690 10 30 ADEEMO C=CC[N@H+](C)C1CCC1 306329230 572619470 /nfs/dbraw/zinc/61/94/70/572619470.db2.gz OKEMQCNPIGACHN-UHFFFAOYSA-N 1 1 125.215 1.657 10 30 ADEEMO C=C[C@@H](CO)Nc1cc[nH+]cc1Cl 307675503 572619472 /nfs/dbraw/zinc/61/94/72/572619472.db2.gz FUDBBHNIRLUXBK-ZETCQYMHSA-N 1 1 198.653 1.694 10 30 ADEEMO CC#CCCN1CC[C@]2(CC[NH2+]C2)C1 306352925 572620136 /nfs/dbraw/zinc/62/01/36/572620136.db2.gz OVYSTTQWJYVADK-LBPRGKRZSA-N 1 1 192.306 1.085 10 30 ADEEMO C=C[C@@H](C)[N@H+]1C[C@H](C)N(C)[C@H](C)C1 306327299 572620153 /nfs/dbraw/zinc/62/01/53/572620153.db2.gz VIUJMVUFDFAIIG-MXWKQRLJSA-N 1 1 182.311 1.585 10 30 ADEEMO C=C[C@@H](C)N1C[C@H](C)[N@H+](C)[C@H](C)C1 306327299 572620158 /nfs/dbraw/zinc/62/01/58/572620158.db2.gz VIUJMVUFDFAIIG-MXWKQRLJSA-N 1 1 182.311 1.585 10 30 ADEEMO C=C[C@@H](C)N1C[C@H](C)[N@@H+](C)[C@H](C)C1 306327299 572620164 /nfs/dbraw/zinc/62/01/64/572620164.db2.gz VIUJMVUFDFAIIG-MXWKQRLJSA-N 1 1 182.311 1.585 10 30 ADEEMO C#CC[C@@H]([NH3+])c1nnc(C(C)C)o1 306391270 572620182 /nfs/dbraw/zinc/62/01/82/572620182.db2.gz FLUDEFZVUINHFZ-SSDOTTSWSA-N 1 1 179.223 1.216 10 30 ADEEMO CC=NO[C@H]1CCC[N@@H+](C)C1 255994172 572620267 /nfs/dbraw/zinc/62/02/67/572620267.db2.gz PFMIFILUUXMLTB-QMMMGPOBSA-N 1 1 156.229 1.103 10 30 ADEEMO C#CC[NH2+]CC(=O)C1=CCCCC1 236398808 572620744 /nfs/dbraw/zinc/62/07/44/572620744.db2.gz DPUPSKRHJQTKBF-UHFFFAOYSA-N 1 1 177.247 1.279 10 30 ADEEMO C=C(C)C(=C)C[C@H]([NH3+])C(=O)OC 238361832 572620748 /nfs/dbraw/zinc/62/07/48/572620748.db2.gz LKIXSKGUPFSVHE-QMMMGPOBSA-N 1 1 169.224 1.009 10 30 ADEEMO C#CC[N@H+](CC)C1CCOCC1 306354271 572620802 /nfs/dbraw/zinc/62/08/02/572620802.db2.gz IVTLNGKFRZJGNF-UHFFFAOYSA-N 1 1 167.252 1.121 10 30 ADEEMO COC1(CC[N@@H+](C)[C@H](C)C=O)CCC1 714515408 572620895 /nfs/dbraw/zinc/62/08/95/572620895.db2.gz XMXIUNWSDONRCN-SNVBAGLBSA-N 1 1 199.294 1.465 10 30 ADEEMO Cc1[nH]c2cc[nH+]cc2c1CC=O 74309290 572620916 /nfs/dbraw/zinc/62/09/16/572620916.db2.gz WRJNQRCJCDYXQZ-UHFFFAOYSA-N 1 1 174.203 1.613 10 30 ADEEMO C#C[C@@H](C)[N@H+](C)CCSC 306351192 572620924 /nfs/dbraw/zinc/62/09/24/572620924.db2.gz XHIZKGBYLUZTAQ-MRVPVSSYSA-N 1 1 157.282 1.303 10 30 ADEEMO C#CC[NH2+]CC(=O)C1=CCCCCC1 236398811 572621192 /nfs/dbraw/zinc/62/11/92/572621192.db2.gz SQLPZYDTIKONOE-UHFFFAOYSA-N 1 1 191.274 1.669 10 30 ADEEMO C=CC[N@@H+]1C[C@H](C)[C@H](O)C[C@H]1C 306317971 572622581 /nfs/dbraw/zinc/62/25/81/572622581.db2.gz IEFWBNNEUNBEAY-IVZWLZJFSA-N 1 1 169.268 1.264 10 30 ADEEMO C=C(Cl)C[N@@H+]1CCC[C@@H](O)[C@H]1C 307610467 572621360 /nfs/dbraw/zinc/62/13/60/572621360.db2.gz INXYBCMGGMRHQU-RKDXNWHRSA-N 1 1 189.686 1.584 10 30 ADEEMO C=C(C[N@@H+]1C[C@H](C)OC[C@@H]1C)OC 306309355 572621519 /nfs/dbraw/zinc/62/15/19/572621519.db2.gz IJXAWVIKWODWEB-WPRPVWTQSA-N 1 1 185.267 1.256 10 30 ADEEMO C=C(C[N@H+]1C[C@H](C)OC[C@@H]1C)OC 306309355 572621524 /nfs/dbraw/zinc/62/15/24/572621524.db2.gz IJXAWVIKWODWEB-WPRPVWTQSA-N 1 1 185.267 1.256 10 30 ADEEMO C=C(C)CCN1CC[C@@H]2[NH2+]CC[C@@H]2C1 306378303 572621695 /nfs/dbraw/zinc/62/16/95/572621695.db2.gz NFZZMAKSGVAFAH-NEPJUHHUSA-N 1 1 194.322 1.636 10 30 ADEEMO C[C@H]1C[N@H+](C2CC2)C[C@@H](CC#N)N1C 251752780 572621987 /nfs/dbraw/zinc/62/19/87/572621987.db2.gz SLTZLWZGDTXVAE-GXSJLCMTSA-N 1 1 193.294 1.067 10 30 ADEEMO C#CC[N@H+](C)C1(C)CCCC1 307683077 572622036 /nfs/dbraw/zinc/62/20/36/572622036.db2.gz SVYJEKNLUXHPCF-UHFFFAOYSA-N 1 1 151.253 1.884 10 30 ADEEMO C[C@@H]1C[N@H+](C2CC2)C[C@@H](CC#N)N1C 251752783 572622119 /nfs/dbraw/zinc/62/21/19/572622119.db2.gz SLTZLWZGDTXVAE-MWLCHTKSSA-N 1 1 193.294 1.067 10 30 ADEEMO C=C[C@@H]1CCCC[N@@H+]1[C@@H]1C[C@H]1CO 306365577 572622482 /nfs/dbraw/zinc/62/24/82/572622482.db2.gz GWEYDQYNIRZSMX-HBNTYKKESA-N 1 1 181.279 1.408 10 30 ADEEMO COC1(CC[N@@H+](C)[C@@H](C)C=O)CCC1 714515406 572622509 /nfs/dbraw/zinc/62/25/09/572622509.db2.gz XMXIUNWSDONRCN-JTQLQIEISA-N 1 1 199.294 1.465 10 30 ADEEMO C=C[C@H](C)[N@H+]1C[C@H](C)[C@H]1C 307507822 572622685 /nfs/dbraw/zinc/62/26/85/572622685.db2.gz NDMSZPCGHVGNOD-XHNCKOQMSA-N 1 1 139.242 1.901 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCOC2(CCC2)C1 307530731 572622699 /nfs/dbraw/zinc/62/26/99/572622699.db2.gz WBHJEYLEZOHKOD-SNVBAGLBSA-N 1 1 181.279 1.816 10 30 ADEEMO C#CC[N@@H+]1CCCC[C@@H](F)C1 306342857 572622963 /nfs/dbraw/zinc/62/29/63/572622963.db2.gz BDIMLQGPLJJJDO-SECBINFHSA-N 1 1 155.216 1.444 10 30 ADEEMO C=CC[C@H](O)c1c[nH+]c(C)n1C 306366275 572623020 /nfs/dbraw/zinc/62/30/20/572623020.db2.gz DYAJRARXHPTTFK-VIFPVBQESA-N 1 1 166.224 1.338 10 30 ADEEMO C=C(C)[C@H]([NH2+]C)c1coc(C)n1 306335854 572623075 /nfs/dbraw/zinc/62/30/75/572623075.db2.gz UAFSDBDFHDSODK-VIFPVBQESA-N 1 1 166.224 1.820 10 30 ADEEMO C=CC[C@@]12CCCC[N@@H+]1CCC[C@@H]2O 306372354 572623574 /nfs/dbraw/zinc/62/35/74/572623574.db2.gz OBSXGUWMCGQBHJ-RYUDHWBXSA-N 1 1 195.306 1.942 10 30 ADEEMO C=CC[N@@H+](C1CC1)[C@@H]1C[C@H]1CO 308077479 572623662 /nfs/dbraw/zinc/62/36/62/572623662.db2.gz GNFPBIMZJKBHGZ-WCBMZHEXSA-N 1 1 167.252 1.018 10 30 ADEEMO C=CCC[C@@H](C)[N@H+]1CCC[C@H]1CN 308077688 572624002 /nfs/dbraw/zinc/62/40/02/572624002.db2.gz XDKGXKMVFCCCKU-MNOVXSKESA-N 1 1 182.311 1.764 10 30 ADEEMO C=CC[N@@H+]1CCCC[C@H](F)C1 306464744 572624136 /nfs/dbraw/zinc/62/41/36/572624136.db2.gz NNEQUULNROBITB-VIFPVBQESA-N 1 1 157.232 1.996 10 30 ADEEMO C=CC[N@@H+](C1CC1)[C@@H]1C[C@@H]1CO 308077477 572624267 /nfs/dbraw/zinc/62/42/67/572624267.db2.gz GNFPBIMZJKBHGZ-PSASIEDQSA-N 1 1 167.252 1.018 10 30 ADEEMO C=CCC[N@H+]1CCC(F)(F)[C@H](O)C1 306406484 572624506 /nfs/dbraw/zinc/62/45/06/572624506.db2.gz WOPPGNYILSRYSA-MRVPVSSYSA-N 1 1 191.221 1.264 10 30 ADEEMO C#CC(C)(C)[N@@H+]1CC[C@H](O)C[C@H]1C 307689407 572624849 /nfs/dbraw/zinc/62/48/49/572624849.db2.gz GMVUXZINTVPGQK-ZJUUUORDSA-N 1 1 181.279 1.243 10 30 ADEEMO C=CCN1C[C@H](C)[N@@H+](C)C[C@@H]1CC#N 251731127 572625014 /nfs/dbraw/zinc/62/50/14/572625014.db2.gz QNPQQJFYRMPENP-QWRGUYRKSA-N 1 1 193.294 1.091 10 30 ADEEMO C=CCN1C[C@H](C)[N@H+](C)C[C@@H]1CC#N 251731127 572625018 /nfs/dbraw/zinc/62/50/18/572625018.db2.gz QNPQQJFYRMPENP-QWRGUYRKSA-N 1 1 193.294 1.091 10 30 ADEEMO C=CC[N@@H+](C1CC1)[C@H]1C[C@H]1CO 308077480 572625508 /nfs/dbraw/zinc/62/55/08/572625508.db2.gz GNFPBIMZJKBHGZ-WPRPVWTQSA-N 1 1 167.252 1.018 10 30 ADEEMO C=C(Cl)C[N@@H+]1CCC[C@H](O)[C@H]1C 307610464 572625775 /nfs/dbraw/zinc/62/57/75/572625775.db2.gz INXYBCMGGMRHQU-BDAKNGLRSA-N 1 1 189.686 1.584 10 30 ADEEMO C#CC[N@H+](C)[C@@H]1CCC[C@@H]1SC 306421571 572625983 /nfs/dbraw/zinc/62/59/83/572625983.db2.gz HGCXWPKMRQVXIO-ZJUUUORDSA-N 1 1 183.320 1.836 10 30 ADEEMO C#CC[N@@H+]1CCCC(=C)C1 306476762 572626187 /nfs/dbraw/zinc/62/61/87/572626187.db2.gz XQYXDUDQEOIXNF-UHFFFAOYSA-N 1 1 135.210 1.272 10 30 ADEEMO C=CC[N@H+]1C[C@@H]2C=C[C@H]21 306460428 572626279 /nfs/dbraw/zinc/62/62/79/572626279.db2.gz XCJKZFDFIMQLOA-JGVFFNPUSA-N 1 1 121.183 1.043 10 30 ADEEMO C=CC[N@@H+](C1CC1)[C@H]1C[C@@H]1CO 308077478 572626637 /nfs/dbraw/zinc/62/66/37/572626637.db2.gz GNFPBIMZJKBHGZ-SCZZXKLOSA-N 1 1 167.252 1.018 10 30 ADEEMO C=CCN1C[C@@H](C)[N@@H+](C)C[C@@H]1CC#N 251731125 572626832 /nfs/dbraw/zinc/62/68/32/572626832.db2.gz QNPQQJFYRMPENP-MNOVXSKESA-N 1 1 193.294 1.091 10 30 ADEEMO C=CCN1C[C@@H](C)[N@H+](C)C[C@@H]1CC#N 251731125 572626834 /nfs/dbraw/zinc/62/68/34/572626834.db2.gz QNPQQJFYRMPENP-MNOVXSKESA-N 1 1 193.294 1.091 10 30 ADEEMO CN1CCC[N@H+](C2CC2)C[C@H]1CC#N 250360088 572627649 /nfs/dbraw/zinc/62/76/49/572627649.db2.gz BXNLOWTWCSFANE-LLVKDONJSA-N 1 1 193.294 1.069 10 30 ADEEMO Cn1c[nH+]c(-c2ccccc2C#N)c1N 236105462 572627041 /nfs/dbraw/zinc/62/70/41/572627041.db2.gz IGHMXAVKNRRUGP-UHFFFAOYSA-N 1 1 198.229 1.541 10 30 ADEEMO C=CC[N@@H+]1CC[C@H](C)C1 306475547 572628258 /nfs/dbraw/zinc/62/82/58/572628258.db2.gz SBNJPYGNPCRKGS-QMMMGPOBSA-N 1 1 125.215 1.514 10 30 ADEEMO C[C@@H](CCO)/[NH+]=C/c1ccccc1 238366012 572628320 /nfs/dbraw/zinc/62/83/20/572628320.db2.gz ROSUTAHFPSTJPJ-LZAIMSLLSA-N 1 1 177.247 1.876 10 30 ADEEMO CC#CC[N@@H+](C)[C@@H]1CCCSC1 307698360 572628809 /nfs/dbraw/zinc/62/88/09/572628809.db2.gz MWGZUBRGZLFLHV-SNVBAGLBSA-N 1 1 183.320 1.837 10 30 ADEEMO C#C[C@@H](C)[N@H+](C)CCCC 307544839 572628945 /nfs/dbraw/zinc/62/89/45/572628945.db2.gz WWTAYILSSYBOHG-SECBINFHSA-N 1 1 139.242 1.740 10 30 ADEEMO C#CC[C@@H]([NH2+]C)c1coc(C)n1 306448474 572629072 /nfs/dbraw/zinc/62/90/72/572629072.db2.gz IMVOVEPFLDQGKG-MRVPVSSYSA-N 1 1 164.208 1.267 10 30 ADEEMO C=CCC[N@H+]1CCC(F)(F)[C@@H](O)C1 306406485 572629156 /nfs/dbraw/zinc/62/91/56/572629156.db2.gz WOPPGNYILSRYSA-QMMMGPOBSA-N 1 1 191.221 1.264 10 30 ADEEMO C=C(C)[C@H](CO)[N@H+]1CCC[C@H]2C[C@H]21 306428528 572629302 /nfs/dbraw/zinc/62/93/02/572629302.db2.gz MTXNIZUGXVKSRD-AXFHLTTASA-N 1 1 181.279 1.408 10 30 ADEEMO C=CC[N@H+](C)[C@@H]1CC1(C)C 306480595 572629645 /nfs/dbraw/zinc/62/96/45/572629645.db2.gz JBEFKNDRDZJZSH-MRVPVSSYSA-N 1 1 139.242 1.903 10 30 ADEEMO C#CCCC[N@@H+]1CC[C@](C)(F)C1 306420100 572629769 /nfs/dbraw/zinc/62/97/69/572629769.db2.gz YQXFSQVSSHCMBW-JTQLQIEISA-N 1 1 169.243 1.834 10 30 ADEEMO C=CCN1C[C@H](C)[N@@H+]2CCC[C@H]2C1 306400070 572631675 /nfs/dbraw/zinc/63/16/75/572631675.db2.gz NFZIWSFGUYGFLG-QWRGUYRKSA-N 1 1 180.295 1.341 10 30 ADEEMO C=C[C@@]1(O)CC[N@H+](CCC)C1 306462991 572630188 /nfs/dbraw/zinc/63/01/88/572630188.db2.gz HJVCFFGYTXJJML-SECBINFHSA-N 1 1 155.241 1.019 10 30 ADEEMO C#CC[N@H+](C)[C@H](CC)C1CC1 307654200 572630363 /nfs/dbraw/zinc/63/03/63/572630363.db2.gz MHWZUXOWDQJZKI-SNVBAGLBSA-N 1 1 151.253 1.740 10 30 ADEEMO N#CCn1c[nH+]c2c1CCCCC2 74308612 572630543 /nfs/dbraw/zinc/63/05/43/572630543.db2.gz RALBJLAJLAOXGE-UHFFFAOYSA-N 1 1 175.235 1.676 10 30 ADEEMO C#CC[N@@H+](C)CCC(=C)C 306478345 572630560 /nfs/dbraw/zinc/63/05/60/572630560.db2.gz CQDOUBCOOYTOHT-UHFFFAOYSA-N 1 1 137.226 1.518 10 30 ADEEMO C#CCCC[N@H+]1C[C@H]2CCC[C@@H]21 306447662 572630574 /nfs/dbraw/zinc/63/05/74/572630574.db2.gz FZCGVNURWKKYKR-MNOVXSKESA-N 1 1 163.264 1.884 10 30 ADEEMO C#CC[N@H+](C)[C@H]1CC[C@H](SC)C1 306478468 572631027 /nfs/dbraw/zinc/63/10/27/572631027.db2.gz BWAGWGQBUCJFLW-UWVGGRQHSA-N 1 1 183.320 1.836 10 30 ADEEMO C#CCC[N@@H+]1CC(C)(C)[C@@H]2COC[C@H]21 306493872 572631295 /nfs/dbraw/zinc/63/12/95/572631295.db2.gz SQNBXAQTLKIQJR-GHMZBOCLSA-N 1 1 193.290 1.367 10 30 ADEEMO C=C(C)[C@H](CO)[N@H+]1CCC[C@@H]2C[C@@H]21 306428531 572635299 /nfs/dbraw/zinc/63/52/99/572635299.db2.gz MTXNIZUGXVKSRD-VWYCJHECSA-N 1 1 181.279 1.408 10 30 ADEEMO CCN1CC(C)(C)[N@@H+](C)C[C@H]1CC#N 250358476 572632314 /nfs/dbraw/zinc/63/23/14/572632314.db2.gz SRSZCOHBTCYVTP-SNVBAGLBSA-N 1 1 195.310 1.315 10 30 ADEEMO C=CCN1C[C@H](C)[N@@H+]2CCC[C@@H]2C1 306400071 572632701 /nfs/dbraw/zinc/63/27/01/572632701.db2.gz NFZIWSFGUYGFLG-WDEREUQCSA-N 1 1 180.295 1.341 10 30 ADEEMO C=CC[N@H+]1C[C@H]2C=C[C@H]21 306460427 572632832 /nfs/dbraw/zinc/63/28/32/572632832.db2.gz XCJKZFDFIMQLOA-HTQZYQBOSA-N 1 1 121.183 1.043 10 30 ADEEMO C=CC[N@H+]1CC(C)(C)C[C@@H]1CO 307695322 572633130 /nfs/dbraw/zinc/63/31/30/572633130.db2.gz FMFPFOSIXXJILW-SECBINFHSA-N 1 1 169.268 1.265 10 30 ADEEMO C#CCCOc1cc[nH+]c(C)c1 306480249 572633269 /nfs/dbraw/zinc/63/32/69/572633269.db2.gz FMNOHBGZBZAKSP-UHFFFAOYSA-N 1 1 161.204 1.792 10 30 ADEEMO C#CC[N@H+]1CCS[C@H]2CCCC[C@@H]21 306496940 572633332 /nfs/dbraw/zinc/63/33/32/572633332.db2.gz FQGPPJMVHSOFDQ-QWRGUYRKSA-N 1 1 195.331 1.980 10 30 ADEEMO CC#CC[N@H+]1C[C@H]2CCCC[C@H]21 306422308 572633557 /nfs/dbraw/zinc/63/35/57/572633557.db2.gz AOQZDICICBOWLD-GHMZBOCLSA-N 1 1 163.264 1.884 10 30 ADEEMO C#CCC[N@H+]1CC[C@H]2OCC[C@H]2C1 306497740 572635241 /nfs/dbraw/zinc/63/52/41/572635241.db2.gz GOQNQZAJAQSBRO-WDEREUQCSA-N 1 1 179.263 1.121 10 30 ADEEMO C=C(C)C[N@H+]1CC[C@@H](C)C[C@@H]1CN 235276775 572634069 /nfs/dbraw/zinc/63/40/69/572634069.db2.gz BJRPNPKISHIJTF-GHMZBOCLSA-N 1 1 182.311 1.622 10 30 ADEEMO C=C(C)C[N@@H+]1CC[C@@H](C)C[C@@H]1CN 235276775 572634072 /nfs/dbraw/zinc/63/40/72/572634072.db2.gz BJRPNPKISHIJTF-GHMZBOCLSA-N 1 1 182.311 1.622 10 30 ADEEMO CCN1CCCC1=[NH+]c1ncccn1 256006219 572634075 /nfs/dbraw/zinc/63/40/75/572634075.db2.gz VEHFXPQZMNEVJH-UHFFFAOYSA-N 1 1 190.250 1.622 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)CC1CC1 307681904 572634276 /nfs/dbraw/zinc/63/42/76/572634276.db2.gz QLILHQAJVGPABE-MRVPVSSYSA-N 1 1 137.226 1.350 10 30 ADEEMO C=CC[N@H+]1CCCC12CCOCC2 306482658 572634298 /nfs/dbraw/zinc/63/42/98/572634298.db2.gz FAWZFNKNEFBCNL-UHFFFAOYSA-N 1 1 181.279 1.817 10 30 ADEEMO C#C[C@@H](C)[N@H+](C)CC[C@H](C)F 307622218 572634523 /nfs/dbraw/zinc/63/45/23/572634523.db2.gz LAJAHKHZRZXAFW-DTWKUNHWSA-N 1 1 157.232 1.688 10 30 ADEEMO C=CCC[N@H+]1CCO[C@H]2C[C@H]21 306471029 572634659 /nfs/dbraw/zinc/63/46/59/572634659.db2.gz YTMOZWHEWHIEGW-BDAKNGLRSA-N 1 1 153.225 1.036 10 30 ADEEMO CC(C)N1[C@@H](C)C[N@@H+](C)C[C@H]1CC#N 251775213 572634660 /nfs/dbraw/zinc/63/46/60/572634660.db2.gz VOQUSPZWEXYNKP-WDEREUQCSA-N 1 1 195.310 1.313 10 30 ADEEMO C=C[C@@H](C)C[N@@H+](C)CCF 307673967 572634804 /nfs/dbraw/zinc/63/48/04/572634804.db2.gz DIIMHKSRISDCRG-MRVPVSSYSA-N 1 1 145.221 1.710 10 30 ADEEMO C=CCC[N@@H+](C)CCF 306432311 572636104 /nfs/dbraw/zinc/63/61/04/572636104.db2.gz SIFREIALNVFOGU-UHFFFAOYSA-N 1 1 131.194 1.464 10 30 ADEEMO C#CC[N@H+]1CC[C@@H]2CCC[C@@H]21 307682886 572636118 /nfs/dbraw/zinc/63/61/18/572636118.db2.gz SLWTZXVAONTNIQ-UWVGGRQHSA-N 1 1 149.237 1.494 10 30 ADEEMO C#CCC[N@H+]1CC[C@@H](C)C[C@@H]1CN 235277731 572636191 /nfs/dbraw/zinc/63/61/91/572636191.db2.gz ODETWLFMUBFAQR-GHMZBOCLSA-N 1 1 180.295 1.069 10 30 ADEEMO C#CCC[N@@H+]1CC[C@@H](C)C[C@@H]1CN 235277731 572636196 /nfs/dbraw/zinc/63/61/96/572636196.db2.gz ODETWLFMUBFAQR-GHMZBOCLSA-N 1 1 180.295 1.069 10 30 ADEEMO CON=C1CC[N@H+]2CCCC[C@@H]12 388407680 572636359 /nfs/dbraw/zinc/63/63/59/572636359.db2.gz UUTOPGKPMMXCHU-VIFPVBQESA-N 1 1 168.240 1.247 10 30 ADEEMO CC(C)N1[C@H](C)C[N@@H+](C)C[C@H]1CC#N 251775209 572636561 /nfs/dbraw/zinc/63/65/61/572636561.db2.gz VOQUSPZWEXYNKP-GHMZBOCLSA-N 1 1 195.310 1.313 10 30 ADEEMO C=C[C@]([NH3+])(OC)c1ccccc1C=O 238376554 572636567 /nfs/dbraw/zinc/63/65/67/572636567.db2.gz LFVJWEJGDRXBTO-NSHDSACASA-N 1 1 191.230 1.443 10 30 ADEEMO C=CC[N@H+]1CC(C)(C)C[C@H]1CO 307695323 572636647 /nfs/dbraw/zinc/63/66/47/572636647.db2.gz FMFPFOSIXXJILW-VIFPVBQESA-N 1 1 169.268 1.265 10 30 ADEEMO C=C(Cl)C[NH+]1CCC1 306440896 572637181 /nfs/dbraw/zinc/63/71/81/572637181.db2.gz OBDJVGCFTPXTCT-UHFFFAOYSA-N 1 1 131.606 1.445 10 30 ADEEMO C#CCC[N@H+](C)[C@@H]1CC1(C)C 307609179 572637305 /nfs/dbraw/zinc/63/73/05/572637305.db2.gz DPBHQZQEDVGYNF-SECBINFHSA-N 1 1 151.253 1.740 10 30 ADEEMO C=CC[N@@H+]1CC[C@@H](OC(F)F)C1 308083817 572637532 /nfs/dbraw/zinc/63/75/32/572637532.db2.gz LRFJBFFJUCVOBD-SSDOTTSWSA-N 1 1 177.194 1.486 10 30 ADEEMO CON=C1CC[N@H+]2CCCC[C@H]12 388407679 572637536 /nfs/dbraw/zinc/63/75/36/572637536.db2.gz UUTOPGKPMMXCHU-SECBINFHSA-N 1 1 168.240 1.247 10 30 ADEEMO C#CC[N@H+](C)C[C@H](C)C=C 306492991 572637715 /nfs/dbraw/zinc/63/77/15/572637715.db2.gz YGTJRASQGOSZLL-SECBINFHSA-N 1 1 137.226 1.374 10 30 ADEEMO C#C[C@H](CC)N1CC[C@H]2[NH2+]CC[C@H]2C1 307682612 572637744 /nfs/dbraw/zinc/63/77/44/572637744.db2.gz RTINYGPDCVHFLK-QJPTWQEYSA-N 1 1 192.306 1.082 10 30 ADEEMO C=CCN1C[C@@H]2CCC[N@H+]2[C@H](C)C1 306400068 572637967 /nfs/dbraw/zinc/63/79/67/572637967.db2.gz NFZIWSFGUYGFLG-MNOVXSKESA-N 1 1 180.295 1.341 10 30 ADEEMO CC(C)[N@H+]1C[C@H](CC#N)N(C)C[C@H]1C 251808359 572638022 /nfs/dbraw/zinc/63/80/22/572638022.db2.gz YPANCCTZFHAUDY-MNOVXSKESA-N 1 1 195.310 1.313 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCOC[C@@H](C)C1 307621181 572638093 /nfs/dbraw/zinc/63/80/93/572638093.db2.gz GBCCHQLBEAUWAE-VHSXEESVSA-N 1 1 169.268 1.529 10 30 ADEEMO C[C@H](CC#N)[N@@H+](C)[C@@H]1CCSC1 48246756 572638097 /nfs/dbraw/zinc/63/80/97/572638097.db2.gz IHUJFVBXMAVUMI-RKDXNWHRSA-N 1 1 184.308 1.726 10 30 ADEEMO C#CC[N@H+]1C[C@H]2CCC[C@H]21 307684776 572638307 /nfs/dbraw/zinc/63/83/07/572638307.db2.gz WNLBICMCVNEGGR-RKDXNWHRSA-N 1 1 135.210 1.104 10 30 ADEEMO C=CCC[N@@H+]1CC[C@H](C)C1 306426698 572638352 /nfs/dbraw/zinc/63/83/52/572638352.db2.gz BFXOWGAPUPYIKV-VIFPVBQESA-N 1 1 139.242 1.904 10 30 ADEEMO Cc1[nH+]ccn1[C@H](C)CC#N 48246972 572638519 /nfs/dbraw/zinc/63/85/19/572638519.db2.gz LZMIATNQYALSCM-SSDOTTSWSA-N 1 1 149.197 1.666 10 30 ADEEMO C=C(CC)C[C@H]([NH3+])c1nc[nH]n1 85064198 572638777 /nfs/dbraw/zinc/63/87/77/572638777.db2.gz WKKDHYOVQNRWNM-ZETCQYMHSA-N 1 1 166.228 1.161 10 30 ADEEMO Cc1[nH+]ccn1[C@@H](C)CC#N 48246968 572638750 /nfs/dbraw/zinc/63/87/50/572638750.db2.gz LZMIATNQYALSCM-ZETCQYMHSA-N 1 1 149.197 1.666 10 30 ADEEMO C[C@H](CC#N)[N@@H+](C)C1CCOCC1 48246901 572639153 /nfs/dbraw/zinc/63/91/53/572639153.db2.gz RPOQEMOJIBGPAD-SECBINFHSA-N 1 1 182.267 1.399 10 30 ADEEMO C=C[C@@H](C)[N@@H+](C)C1CC(O)C1 307660377 572639823 /nfs/dbraw/zinc/63/98/23/572639823.db2.gz BLJPIVNRJTZPRY-AFPNSQJFSA-N 1 1 155.241 1.016 10 30 ADEEMO C=C(CC)C[NH2+]C[C@@H]1CCCN(C)C1 85058131 572641187 /nfs/dbraw/zinc/64/11/87/572641187.db2.gz PJXOGNHEDAJTBZ-LBPRGKRZSA-N 1 1 196.338 1.884 10 30 ADEEMO C#CC[N@@H+](C)[C@@H](C)c1cnccn1 306495527 572640340 /nfs/dbraw/zinc/64/03/40/572640340.db2.gz BWVAYESZDHTWLR-VIFPVBQESA-N 1 1 175.235 1.103 10 30 ADEEMO C#CC[N@H+](C)[C@@H](C)c1cnccn1 306495527 572640343 /nfs/dbraw/zinc/64/03/43/572640343.db2.gz BWVAYESZDHTWLR-VIFPVBQESA-N 1 1 175.235 1.103 10 30 ADEEMO C=C(CC)C[C@@H]([NH3+])c1nc[nH]n1 85064201 572640387 /nfs/dbraw/zinc/64/03/87/572640387.db2.gz WKKDHYOVQNRWNM-SSDOTTSWSA-N 1 1 166.228 1.161 10 30 ADEEMO C=C(CC)C[NH2+]C[C@H]1CCN(C)C1 85057569 572640537 /nfs/dbraw/zinc/64/05/37/572640537.db2.gz DOFHPUJHDVDOSY-LLVKDONJSA-N 1 1 182.311 1.494 10 30 ADEEMO C=C(CC)C[NH2+]C[C@H]1CCCN(C)C1 85058133 572640662 /nfs/dbraw/zinc/64/06/62/572640662.db2.gz PJXOGNHEDAJTBZ-GFCCVEGCSA-N 1 1 196.338 1.884 10 30 ADEEMO FCC[NH2+]CC#Cc1ccccc1 306425177 572640682 /nfs/dbraw/zinc/64/06/82/572640682.db2.gz NBDDTIXACMGBQK-UHFFFAOYSA-N 1 1 177.222 1.597 10 30 ADEEMO C=C(CC)C[NH2+][C@H](C)CCN(C)C 85058047 572640699 /nfs/dbraw/zinc/64/06/99/572640699.db2.gz FMMHOECYRLZHGY-LLVKDONJSA-N 1 1 184.327 1.882 10 30 ADEEMO C#CC[N@@H+](C)[C@H](C)c1cnccn1 306495526 572640788 /nfs/dbraw/zinc/64/07/88/572640788.db2.gz BWVAYESZDHTWLR-SECBINFHSA-N 1 1 175.235 1.103 10 30 ADEEMO C#CC[N@H+](C)[C@H](C)c1cnccn1 306495526 572640796 /nfs/dbraw/zinc/64/07/96/572640796.db2.gz BWVAYESZDHTWLR-SECBINFHSA-N 1 1 175.235 1.103 10 30 ADEEMO CC#CC[NH2+][C@@H](C)c1ncc[nH]1 307682261 572640863 /nfs/dbraw/zinc/64/08/63/572640863.db2.gz QZOVYVMLUFLOBN-QMMMGPOBSA-N 1 1 163.224 1.084 10 30 ADEEMO CC(C)[N@@H+](C)[C@H](C)CC#N 48246550 572640978 /nfs/dbraw/zinc/64/09/78/572640978.db2.gz NTTZWPJYDXBRKS-MRVPVSSYSA-N 1 1 140.230 1.629 10 30 ADEEMO CC#CC[NH2+]Cc1oc(C)nc1C 306404606 572641092 /nfs/dbraw/zinc/64/10/92/572641092.db2.gz IJUIZXCBBJQVBF-UHFFFAOYSA-N 1 1 178.235 1.404 10 30 ADEEMO C=C[C@H](C)[C@H]([NH2+]C(C)(C)C)C(=O)OC 238378371 572642670 /nfs/dbraw/zinc/64/26/70/572642670.db2.gz QADVFVXTGXQMOW-IUCAKERBSA-N 1 1 199.294 1.738 10 30 ADEEMO C=C(C)CCN1CC2=C(C[NH2+]C2)C1 306426573 572641585 /nfs/dbraw/zinc/64/15/85/572641585.db2.gz KNAHPCYYEHDYAG-UHFFFAOYSA-N 1 1 178.279 1.168 10 30 ADEEMO CC(C)[N@@H+](C)[C@@H](C)CC#N 48246547 572641947 /nfs/dbraw/zinc/64/19/47/572641947.db2.gz NTTZWPJYDXBRKS-QMMMGPOBSA-N 1 1 140.230 1.629 10 30 ADEEMO C=C(CC)C[NH2+][C@@H](C)CCN(C)C 85058044 572642038 /nfs/dbraw/zinc/64/20/38/572642038.db2.gz FMMHOECYRLZHGY-NSHDSACASA-N 1 1 184.327 1.882 10 30 ADEEMO C=C(CC)C[NH2+]C[C@@H]1CCN(C)C1 85057565 572642058 /nfs/dbraw/zinc/64/20/58/572642058.db2.gz DOFHPUJHDVDOSY-NSHDSACASA-N 1 1 182.311 1.494 10 30 ADEEMO CC[C@@H](C)[N@@H+](CCO)CCS 307851311 572642154 /nfs/dbraw/zinc/64/21/54/572642154.db2.gz ANPGHPSXOWZHTD-MRVPVSSYSA-N 1 1 177.313 1.009 10 30 ADEEMO C#C[C@H](C)[N@H+](C)Cc1cncs1 307602392 572642272 /nfs/dbraw/zinc/64/22/72/572642272.db2.gz TWVFBHMGMKIWSY-QMMMGPOBSA-N 1 1 180.276 1.597 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)Cc1cncs1 307602392 572642273 /nfs/dbraw/zinc/64/22/73/572642273.db2.gz TWVFBHMGMKIWSY-QMMMGPOBSA-N 1 1 180.276 1.597 10 30 ADEEMO C#CC[N@@H+](C1CC1)[C@H](C)CC 307668984 572642439 /nfs/dbraw/zinc/64/24/39/572642439.db2.gz LXAFTAIRDVDJPU-SECBINFHSA-N 1 1 151.253 1.883 10 30 ADEEMO C[C@H]1CCC[N@H+]([C@@H](C)C/C(N)=N/O)C1 48257624 572642739 /nfs/dbraw/zinc/64/27/39/572642739.db2.gz CRXXJDDDFUOLGM-IUCAKERBSA-N 1 1 199.298 1.243 10 30 ADEEMO C=C[C@@H](O)C1C[C@@H]2CC[C@H](C1)[N@H+]2C 307603683 572643138 /nfs/dbraw/zinc/64/31/38/572643138.db2.gz UHKPWNPZNNRVGL-HUAZRZQGSA-N 1 1 181.279 1.406 10 30 ADEEMO C=C(CC)C[C@@H]([NH3+])C(=O)OCC 85059301 572643303 /nfs/dbraw/zinc/64/33/03/572643303.db2.gz LVSRLPCEPPWODP-MRVPVSSYSA-N 1 1 171.240 1.233 10 30 ADEEMO C[N@H+](CCC1CCC1)CC[C@@H](N)C#N 688699877 572643393 /nfs/dbraw/zinc/64/33/93/572643393.db2.gz IDZNALHTDIOSFB-LLVKDONJSA-N 1 1 195.310 1.349 10 30 ADEEMO C=C(CC)C[N@H+]1CC[C@@H]2C[C@]2(O)C1 306420917 572643467 /nfs/dbraw/zinc/64/34/67/572643467.db2.gz XZIANIRSWMTVMR-MNOVXSKESA-N 1 1 181.279 1.409 10 30 ADEEMO C#CC[N@@H+]1CC[C@]2(C)[C@H](C1)C2(F)F 307694896 572643616 /nfs/dbraw/zinc/64/36/16/572643616.db2.gz YGLQVCVZDVMBPI-DTWKUNHWSA-N 1 1 185.217 1.597 10 30 ADEEMO C=C[C@@H](C)[C@H]([NH2+]C(C)(C)C)C(=O)OC 238378419 572643937 /nfs/dbraw/zinc/64/39/37/572643937.db2.gz QADVFVXTGXQMOW-BDAKNGLRSA-N 1 1 199.294 1.738 10 30 ADEEMO C#CC[NH2+]Cc1cccnc1Cl 306486208 572644044 /nfs/dbraw/zinc/64/40/44/572644044.db2.gz IYMOWKCAWKUSKJ-UHFFFAOYSA-N 1 1 180.638 1.458 10 30 ADEEMO C[C@H]1C[N@H+](C)C[C@@H](CCC#N)C1=O 251798681 572644493 /nfs/dbraw/zinc/64/44/93/572644493.db2.gz XTKSFEBHCGNACB-DTWKUNHWSA-N 1 1 180.251 1.057 10 30 ADEEMO C[C@H]1C[N@@H+](C)C[C@@H](CCC#N)C1=O 251798681 572644495 /nfs/dbraw/zinc/64/44/95/572644495.db2.gz XTKSFEBHCGNACB-DTWKUNHWSA-N 1 1 180.251 1.057 10 30 ADEEMO C=C(CC)C[N@@H+]1CCCC[C@H]1CN 85060350 572644569 /nfs/dbraw/zinc/64/45/69/572644569.db2.gz RDEKKFDNAAQCKQ-NSHDSACASA-N 1 1 182.311 1.766 10 30 ADEEMO C=C(CC)C[N@H+]1CCCC[C@H]1CN 85060350 572644573 /nfs/dbraw/zinc/64/45/73/572644573.db2.gz RDEKKFDNAAQCKQ-NSHDSACASA-N 1 1 182.311 1.766 10 30 ADEEMO C#C[C@](C)(CC)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 307619723 572644721 /nfs/dbraw/zinc/64/47/21/572644721.db2.gz ZAKISIMMDQGTQX-GRYCIOLGSA-N 1 1 194.322 1.457 10 30 ADEEMO C=C(CC)C[N@@H+]1CCCC[C@@H]1CN 85060348 572644744 /nfs/dbraw/zinc/64/47/44/572644744.db2.gz RDEKKFDNAAQCKQ-LLVKDONJSA-N 1 1 182.311 1.766 10 30 ADEEMO C=C(CC)C[N@H+]1CCCC[C@@H]1CN 85060348 572644749 /nfs/dbraw/zinc/64/47/49/572644749.db2.gz RDEKKFDNAAQCKQ-LLVKDONJSA-N 1 1 182.311 1.766 10 30 ADEEMO C=CCSc1cc(C)nc(NN)[nH+]1 307611215 572645040 /nfs/dbraw/zinc/64/50/40/572645040.db2.gz GEOJOJWAIQSFFU-UHFFFAOYSA-N 1 1 196.279 1.349 10 30 ADEEMO C#CC[NH2+]Cc1nc2c(s1)CCC2 306489944 572645083 /nfs/dbraw/zinc/64/50/83/572645083.db2.gz MHCRSVAPXXVARY-UHFFFAOYSA-N 1 1 192.287 1.355 10 30 ADEEMO C=C(CC)CN1CCC[C@@H](C[NH2+]C)C1 85060322 572645087 /nfs/dbraw/zinc/64/50/87/572645087.db2.gz YAKKQVPBVQPYLR-LBPRGKRZSA-N 1 1 196.338 1.884 10 30 ADEEMO C=C(CC)C[C@H]([NH3+])C(=O)OCC 85059300 572645204 /nfs/dbraw/zinc/64/52/04/572645204.db2.gz LVSRLPCEPPWODP-QMMMGPOBSA-N 1 1 171.240 1.233 10 30 ADEEMO C[C@H]1CCCC[N@@H+]1[C@@H](C)C/C(N)=N/O 48257597 572645452 /nfs/dbraw/zinc/64/54/52/572645452.db2.gz OQMPRFUGXXSNOM-IUCAKERBSA-N 1 1 199.298 1.386 10 30 ADEEMO C=CC[N@@H+]1CCCC[C@@H](F)C1 306464743 572645471 /nfs/dbraw/zinc/64/54/71/572645471.db2.gz NNEQUULNROBITB-SECBINFHSA-N 1 1 157.232 1.996 10 30 ADEEMO C[C@@H](C/C(N)=N/O)[N@H+]1CCCC[C@H]1C 48257595 572646012 /nfs/dbraw/zinc/64/60/12/572646012.db2.gz OQMPRFUGXXSNOM-BDAKNGLRSA-N 1 1 199.298 1.386 10 30 ADEEMO C=C(CC)CN1CCC[C@H](C[NH2+]C)C1 85060320 572646095 /nfs/dbraw/zinc/64/60/95/572646095.db2.gz YAKKQVPBVQPYLR-GFCCVEGCSA-N 1 1 196.338 1.884 10 30 ADEEMO C=C(CC)CN(C)C1CC[NH2+]CC1 85060285 572646142 /nfs/dbraw/zinc/64/61/42/572646142.db2.gz SAQPTSMNXAZCLX-UHFFFAOYSA-N 1 1 182.311 1.636 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCOC[C@H](C)C1 307621179 572646603 /nfs/dbraw/zinc/64/66/03/572646603.db2.gz GBCCHQLBEAUWAE-NXEZZACHSA-N 1 1 169.268 1.529 10 30 ADEEMO C=C[C@H](C)[N@@H+](C)C1CC(O)C1 307660382 572646852 /nfs/dbraw/zinc/64/68/52/572646852.db2.gz BLJPIVNRJTZPRY-UEJVZZJDSA-N 1 1 155.241 1.016 10 30 ADEEMO C#CC[C@H]([NH2+]C)c1coc(C)n1 306448475 572646864 /nfs/dbraw/zinc/64/68/64/572646864.db2.gz IMVOVEPFLDQGKG-QMMMGPOBSA-N 1 1 164.208 1.267 10 30 ADEEMO C=CC[N@H+](C)C[C@@H](F)CC 306498106 572646872 /nfs/dbraw/zinc/64/68/72/572646872.db2.gz SWEBPDPCMZKTGJ-QMMMGPOBSA-N 1 1 145.221 1.852 10 30 ADEEMO C#C[C@H](C)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C 307682394 572646947 /nfs/dbraw/zinc/64/69/47/572646947.db2.gz RLDCGPCXOGNJES-JFGNBEQYSA-N 1 1 192.306 1.080 10 30 ADEEMO C#C[C@H](C)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C 307682394 572646949 /nfs/dbraw/zinc/64/69/49/572646949.db2.gz RLDCGPCXOGNJES-JFGNBEQYSA-N 1 1 192.306 1.080 10 30 ADEEMO C=CC[N@H+](C)C1CC(OC)C1 307673553 572647059 /nfs/dbraw/zinc/64/70/59/572647059.db2.gz BAHCSSKCOHZYCZ-UHFFFAOYSA-N 1 1 155.241 1.282 10 30 ADEEMO C#C[C@H](C)[N@H+](C)CC[C@H](C)F 307622219 572647181 /nfs/dbraw/zinc/64/71/81/572647181.db2.gz LAJAHKHZRZXAFW-IUCAKERBSA-N 1 1 157.232 1.688 10 30 ADEEMO C#CC[N@H+]1CC[C@H]2CCC[C@@H]21 307682888 572647585 /nfs/dbraw/zinc/64/75/85/572647585.db2.gz SLWTZXVAONTNIQ-ZJUUUORDSA-N 1 1 149.237 1.494 10 30 ADEEMO CC#CC[N@H+]1CCC[C@H]2OCC[C@H]21 307694259 572647629 /nfs/dbraw/zinc/64/76/29/572647629.db2.gz VWRUHRQYTXEJRF-GHMZBOCLSA-N 1 1 179.263 1.263 10 30 ADEEMO C=C[C@@H](C)[N@@H+]1CC[C@@H]1COC 307679681 572647776 /nfs/dbraw/zinc/64/77/76/572647776.db2.gz RVVCCQOHNXUNGD-RKDXNWHRSA-N 1 1 155.241 1.282 10 30 ADEEMO C=C(C)CC(=O)C[NH+]1CCC1 307629228 572648552 /nfs/dbraw/zinc/64/85/52/572648552.db2.gz VENYOMJYYBCHQI-UHFFFAOYSA-N 1 1 153.225 1.227 10 30 ADEEMO C=C(C)C[N@@H+]1CC[C@H](O)C[C@H]1C 306455015 572648576 /nfs/dbraw/zinc/64/85/76/572648576.db2.gz ZZCHUAPBTCXDSF-ZJUUUORDSA-N 1 1 169.268 1.408 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)CC1CCOCC1 306495582 572648728 /nfs/dbraw/zinc/64/87/28/572648728.db2.gz CBGCUCPPTSXGJQ-JTQLQIEISA-N 1 1 181.279 1.367 10 30 ADEEMO C[C@@H]1CC[C@H](C#N)[C@@H](C)[N@H+]1C 251802951 572648737 /nfs/dbraw/zinc/64/87/37/572648737.db2.gz GJUCFZDFTRXKDP-IWSPIJDZSA-N 1 1 152.241 1.629 10 30 ADEEMO C#CC[N@H+]1[C@@H](C)CSC[C@H]1C 306469654 572649202 /nfs/dbraw/zinc/64/92/02/572649202.db2.gz VIQKZZXCZYVBMV-DTORHVGOSA-N 1 1 169.293 1.445 10 30 ADEEMO C=CC[C@H](CO)[N@@H+]1CC[C@@H]1C 307647006 572649223 /nfs/dbraw/zinc/64/92/23/572649223.db2.gz CDTYFFPSLYCOFI-DTWKUNHWSA-N 1 1 155.241 1.018 10 30 ADEEMO C=CCC[C@@]1(O)CC[N@@H+](C)[C@@H](C)C1 307647767 572649375 /nfs/dbraw/zinc/64/93/75/572649375.db2.gz FPSUAYSQRRIKJD-WDEREUQCSA-N 1 1 183.295 1.798 10 30 ADEEMO C[C@@H]1CC[C@@H](C#N)[C@@H](C)[N@H+]1C 251802948 572649554 /nfs/dbraw/zinc/64/95/54/572649554.db2.gz GJUCFZDFTRXKDP-HLTSFMKQSA-N 1 1 152.241 1.629 10 30 ADEEMO C#CCCC[N@H+]1C[C@H]2CCC[C@H]21 306447661 572649575 /nfs/dbraw/zinc/64/95/75/572649575.db2.gz FZCGVNURWKKYKR-GHMZBOCLSA-N 1 1 163.264 1.884 10 30 ADEEMO C=CC[N@H+](CC)C[C@H](O)CC 307856375 572650196 /nfs/dbraw/zinc/65/01/96/572650196.db2.gz DPYFKMOFCKKBSC-SECBINFHSA-N 1 1 157.257 1.265 10 30 ADEEMO C=CC[N@H+](CC)C[C@@H](O)CC 307856378 572650221 /nfs/dbraw/zinc/65/02/21/572650221.db2.gz DPYFKMOFCKKBSC-VIFPVBQESA-N 1 1 157.257 1.265 10 30 ADEEMO C=CCC[N@H+](C)[C@H](C)[C@H](C)O 307858286 572659509 /nfs/dbraw/zinc/65/95/09/572659509.db2.gz FLXAGZCTRLZIAI-BDAKNGLRSA-N 1 1 157.257 1.264 10 30 ADEEMO C=C(CC)C[N@@H+](C)CCCC(=O)OC 85064752 572651052 /nfs/dbraw/zinc/65/10/52/572651052.db2.gz YDWGGIHHOHFHBS-UHFFFAOYSA-N 1 1 199.294 1.838 10 30 ADEEMO C=C[C@H](C)N1C[C@H](C)[NH+](C)[C@@H](C)C1 307684045 572651113 /nfs/dbraw/zinc/65/11/13/572651113.db2.gz VIUJMVUFDFAIIG-DCAQKATOSA-N 1 1 182.311 1.585 10 30 ADEEMO C=C(CC)C[N@H+]1CCC[C@@H](C=O)C1 85070601 572651240 /nfs/dbraw/zinc/65/12/40/572651240.db2.gz AOTZJVQYELHZNU-LLVKDONJSA-N 1 1 181.279 1.864 10 30 ADEEMO C=C(CC)C[N@@H+](CC)CC(=O)OC 85064758 572651338 /nfs/dbraw/zinc/65/13/38/572651338.db2.gz VWOIGGRPMFGWBH-UHFFFAOYSA-N 1 1 185.267 1.448 10 30 ADEEMO C=C(CC)C[N@H+](CC)CC(=O)OC 85064758 572651341 /nfs/dbraw/zinc/65/13/41/572651341.db2.gz VWOIGGRPMFGWBH-UHFFFAOYSA-N 1 1 185.267 1.448 10 30 ADEEMO C=C(CC)C[N@H+]1CCC[C@H](C=O)C1 85070600 572651398 /nfs/dbraw/zinc/65/13/98/572651398.db2.gz AOTZJVQYELHZNU-NSHDSACASA-N 1 1 181.279 1.864 10 30 ADEEMO CC#CC[N@@H+](C)C[C@@H](F)CC 307673848 572651664 /nfs/dbraw/zinc/65/16/64/572651664.db2.gz BTUZOQLAKDXNEP-VIFPVBQESA-N 1 1 157.232 1.690 10 30 ADEEMO CC#CC[N@H+](C)C[C@@H](F)CC 307673848 572651669 /nfs/dbraw/zinc/65/16/69/572651669.db2.gz BTUZOQLAKDXNEP-VIFPVBQESA-N 1 1 157.232 1.690 10 30 ADEEMO C=C(CC)C[N@@H+](C)CCC(=O)OC 85064767 572651729 /nfs/dbraw/zinc/65/17/29/572651729.db2.gz FURKFPAVEBCHHK-UHFFFAOYSA-N 1 1 185.267 1.448 10 30 ADEEMO C=CCC[N@H+]1CCCOCC12CC2 306484990 572651850 /nfs/dbraw/zinc/65/18/50/572651850.db2.gz NMMCBCJBKHMBNP-UHFFFAOYSA-N 1 1 181.279 1.817 10 30 ADEEMO C=C(CC)C[N@@H+](C)CC1CC(O)C1 85070514 572651911 /nfs/dbraw/zinc/65/19/11/572651911.db2.gz BIAZRMSAXYJHSB-UHFFFAOYSA-N 1 1 183.295 1.655 10 30 ADEEMO C=C(CC)C[NH+]1CC(O)(CCC)C1 85070511 572652774 /nfs/dbraw/zinc/65/27/74/572652774.db2.gz JLQCQQLQKJMGHA-UHFFFAOYSA-N 1 1 183.295 1.799 10 30 ADEEMO C#CC[N@@H+](CCC)CCF 306472767 572652789 /nfs/dbraw/zinc/65/27/89/572652789.db2.gz GEBVRDDUEGVRLP-UHFFFAOYSA-N 1 1 143.205 1.301 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)CC1CC1 307681905 572653122 /nfs/dbraw/zinc/65/31/22/572653122.db2.gz QLILHQAJVGPABE-QMMMGPOBSA-N 1 1 137.226 1.350 10 30 ADEEMO C#C[C@H](C)[NH2+][C@H]1C[C@H](C)n2ccnc21 307620648 572653227 /nfs/dbraw/zinc/65/32/27/572653227.db2.gz FOGQQMRQZSBTLW-GUBZILKMSA-N 1 1 189.262 1.500 10 30 ADEEMO C#CCC[N@H+](C)[C@@H]1CCCSC1 306446058 572653379 /nfs/dbraw/zinc/65/33/79/572653379.db2.gz ULQPOPOVIKGGSQ-SNVBAGLBSA-N 1 1 183.320 1.837 10 30 ADEEMO C#CCC[N@H+]1[C@@H](C)C[C@H](O)C[C@H]1C 306454989 572653722 /nfs/dbraw/zinc/65/37/22/572653722.db2.gz ZWWZFOGVKVIHSX-JGPRNRPPSA-N 1 1 181.279 1.243 10 30 ADEEMO C#C[C@](C)(CC)Nc1cc[nH+]c(N)n1 307605770 572654029 /nfs/dbraw/zinc/65/40/29/572654029.db2.gz ZFPXLKXXADVPCO-SNVBAGLBSA-N 1 1 190.250 1.273 10 30 ADEEMO C#CCC[NH2+]C[C@@H](C#N)C(F)(F)F 236129519 572654406 /nfs/dbraw/zinc/65/44/06/572654406.db2.gz FEDFCXXKQFWKEB-SSDOTTSWSA-N 1 1 190.168 1.301 10 30 ADEEMO C=CCC[NH2+]CC(C)(C)NC 307861753 572654505 /nfs/dbraw/zinc/65/45/05/572654505.db2.gz HFYHKJSERTXHCU-UHFFFAOYSA-N 1 1 156.273 1.150 10 30 ADEEMO C#CC[N@H+](C)[C@]1(CO)CC[C@H](C)C1 307664419 572654579 /nfs/dbraw/zinc/65/45/79/572654579.db2.gz KGDGXUHURSCOEP-WDEREUQCSA-N 1 1 181.279 1.103 10 30 ADEEMO C#CCC[NH2+]C[C@H](C#N)C(F)(F)F 236128098 572654739 /nfs/dbraw/zinc/65/47/39/572654739.db2.gz FEDFCXXKQFWKEB-ZETCQYMHSA-N 1 1 190.168 1.301 10 30 ADEEMO C[N@@H+](CCC[C@H]1CO1)C1CC1 307861755 572655039 /nfs/dbraw/zinc/65/50/39/572655039.db2.gz HFYWTZRKAPXDCY-VIFPVBQESA-N 1 1 155.241 1.260 10 30 ADEEMO N#C[C@H](C[NH2+]C1CCC1)C(F)(F)F 236129090 572655068 /nfs/dbraw/zinc/65/50/68/572655068.db2.gz NSXFIRBYGWWOGN-ZCFIWIBFSA-N 1 1 192.184 1.831 10 30 ADEEMO N#C[C@H](C[NH2+]CC1CC1)C(F)(F)F 236129416 572655600 /nfs/dbraw/zinc/65/56/00/572655600.db2.gz GOCUXVVMZWTGGZ-SSDOTTSWSA-N 1 1 192.184 1.688 10 30 ADEEMO N#C[C@@H](C[NH2+]C1CCC1)C(F)(F)F 236127461 572655788 /nfs/dbraw/zinc/65/57/88/572655788.db2.gz NSXFIRBYGWWOGN-LURJTMIESA-N 1 1 192.184 1.831 10 30 ADEEMO C=CCC[NH2+]C[C@H](C#N)C(F)(F)F 236128305 572656258 /nfs/dbraw/zinc/65/62/58/572656258.db2.gz ADJYWHRSMDOWKL-ZETCQYMHSA-N 1 1 192.184 1.854 10 30 ADEEMO C=C(C)C[N@H+]1CCCOCC12CC2 307695279 572656404 /nfs/dbraw/zinc/65/64/04/572656404.db2.gz JDVWYXGKXFLRIA-UHFFFAOYSA-N 1 1 181.279 1.817 10 30 ADEEMO CC[N@@H+](CC[C@H]1CO1)C(C)C 307861055 572656602 /nfs/dbraw/zinc/65/66/02/572656602.db2.gz GVALABPICHXVSW-VIFPVBQESA-N 1 1 157.257 1.506 10 30 ADEEMO C=C(C[N@H+](CC)C1CC1)OC 307858216 572657581 /nfs/dbraw/zinc/65/75/81/572657581.db2.gz FJJGKWBJPPXEIC-UHFFFAOYSA-N 1 1 155.241 1.631 10 30 ADEEMO CC[C@H]1CC[N@@H+](C[C@H](C)C=O)C1 251907019 572656723 /nfs/dbraw/zinc/65/67/23/572656723.db2.gz XKBIHNGLOJQJOU-UWVGGRQHSA-N 1 1 169.268 1.553 10 30 ADEEMO CC[C@@H]1CC[N@@H+](C[C@H](C)C=O)C1 251907021 572657601 /nfs/dbraw/zinc/65/76/01/572657601.db2.gz XKBIHNGLOJQJOU-VHSXEESVSA-N 1 1 169.268 1.553 10 30 ADEEMO CC[N@@H+](CC[C@@H]1CO1)C(C)C 307861054 572656882 /nfs/dbraw/zinc/65/68/82/572656882.db2.gz GVALABPICHXVSW-SECBINFHSA-N 1 1 157.257 1.506 10 30 ADEEMO C=CCC[NH2+]C[C@@H](C#N)C(F)(F)F 236129676 572657013 /nfs/dbraw/zinc/65/70/13/572657013.db2.gz ADJYWHRSMDOWKL-SSDOTTSWSA-N 1 1 192.184 1.854 10 30 ADEEMO C#CC[N@H+](C)[C@@H]1CCC[C@H]1SC 306421563 572657043 /nfs/dbraw/zinc/65/70/43/572657043.db2.gz HGCXWPKMRQVXIO-NXEZZACHSA-N 1 1 183.320 1.836 10 30 ADEEMO C=C[C@H](C)[N@H+]1CC[C@](C)(CO)C1 307676225 572657137 /nfs/dbraw/zinc/65/71/37/572657137.db2.gz GXPIEUCBQMVDQM-UWVGGRQHSA-N 1 1 169.268 1.265 10 30 ADEEMO C=CCCC[N@@H+]1CC[C@@H](C)[C@H](O)C1 299891242 572657945 /nfs/dbraw/zinc/65/79/45/572657945.db2.gz KSQAJWBKNKWKJJ-GHMZBOCLSA-N 1 1 183.295 1.655 10 30 ADEEMO C/C=C/C[N@H+]1CCC[C@H](C=O)C1 54219195 572659513 /nfs/dbraw/zinc/65/95/13/572659513.db2.gz VQBXXQFFQVJDCO-PBKGFPTLSA-N 1 1 167.252 1.473 10 30 ADEEMO C=CCC[N@H+](C)[C@@H](C)[C@H](C)O 307858294 572657978 /nfs/dbraw/zinc/65/79/78/572657978.db2.gz FLXAGZCTRLZIAI-IUCAKERBSA-N 1 1 157.257 1.264 10 30 ADEEMO C#CCCC[N@H+]1C[C@@H]2CCC[C@H]21 306447664 572658044 /nfs/dbraw/zinc/65/80/44/572658044.db2.gz FZCGVNURWKKYKR-WDEREUQCSA-N 1 1 163.264 1.884 10 30 ADEEMO C#C[C@@H](C)[NH2+]C(C)(C)c1nccs1 235187456 572659844 /nfs/dbraw/zinc/65/98/44/572659844.db2.gz NGERLYCICKLCSU-MRVPVSSYSA-N 1 1 194.303 1.990 10 30 ADEEMO C=CCC[N@H+](C)[C@H](C)[C@@H](C)O 307858298 572658087 /nfs/dbraw/zinc/65/80/87/572658087.db2.gz FLXAGZCTRLZIAI-RKDXNWHRSA-N 1 1 157.257 1.264 10 30 ADEEMO C#CC[N@@H+](C)C[C@H](F)CC 306472475 572659519 /nfs/dbraw/zinc/65/95/19/572659519.db2.gz DKILXOHKIGZCEE-MRVPVSSYSA-N 1 1 143.205 1.300 10 30 ADEEMO C#CC[N@H+](C)C[C@H](F)CC 306472475 572659523 /nfs/dbraw/zinc/65/95/23/572659523.db2.gz DKILXOHKIGZCEE-MRVPVSSYSA-N 1 1 143.205 1.300 10 30 ADEEMO C=CCC[N@H+](C)[C@@H](C)[C@@H](C)O 307858290 572658760 /nfs/dbraw/zinc/65/87/60/572658760.db2.gz FLXAGZCTRLZIAI-DTWKUNHWSA-N 1 1 157.257 1.264 10 30 ADEEMO C=CC[N@H+](C)[C@H]1CC1(C)C 306480596 572658797 /nfs/dbraw/zinc/65/87/97/572658797.db2.gz JBEFKNDRDZJZSH-QMMMGPOBSA-N 1 1 139.242 1.903 10 30 ADEEMO C=C(Cl)C[N@@H+]1CCC[C@H](O)[C@@H]1C 307610466 572658802 /nfs/dbraw/zinc/65/88/02/572658802.db2.gz INXYBCMGGMRHQU-IUCAKERBSA-N 1 1 189.686 1.584 10 30 ADEEMO CC[C@@H](C)[N@H+]1CCC[C@H](C=O)C1 54219220 572659561 /nfs/dbraw/zinc/65/95/61/572659561.db2.gz CNSOYPBGBSOZKK-ZJUUUORDSA-N 1 1 169.268 1.696 10 30 ADEEMO C=C(C)C[NH2+]CC(C)(C)NC 307859316 572658961 /nfs/dbraw/zinc/65/89/61/572658961.db2.gz FUMDGUDATIIVKG-UHFFFAOYSA-N 1 1 156.273 1.150 10 30 ADEEMO C#CCC[N@@H+]1CC(C)(C)[C@@H]2COC[C@@H]21 306493873 572658989 /nfs/dbraw/zinc/65/89/89/572658989.db2.gz SQNBXAQTLKIQJR-MNOVXSKESA-N 1 1 193.290 1.367 10 30 ADEEMO C#CC[N@@H+](C)C[C@@H](F)CC 306472476 572659208 /nfs/dbraw/zinc/65/92/08/572659208.db2.gz DKILXOHKIGZCEE-QMMMGPOBSA-N 1 1 143.205 1.300 10 30 ADEEMO C#CC[N@H+](C)C[C@@H](F)CC 306472476 572659209 /nfs/dbraw/zinc/65/92/09/572659209.db2.gz DKILXOHKIGZCEE-QMMMGPOBSA-N 1 1 143.205 1.300 10 30 ADEEMO CC[C@H](C)[N@H+]1CCN(C)[C@@H](CC#N)C1 251925439 572659310 /nfs/dbraw/zinc/65/93/10/572659310.db2.gz QPHHWSZGXVYUDX-QWRGUYRKSA-N 1 1 195.310 1.315 10 30 ADEEMO C=CC[C@@H](C)NCC[NH2+]C(C)(C)C 230976222 572659360 /nfs/dbraw/zinc/65/93/60/572659360.db2.gz JUZRKMCSLRNEEV-SNVBAGLBSA-N 1 1 184.327 1.929 10 30 ADEEMO C#CCC[N@H+](C)[C@H]1CCCSC1 306446057 572659363 /nfs/dbraw/zinc/65/93/63/572659363.db2.gz ULQPOPOVIKGGSQ-JTQLQIEISA-N 1 1 183.320 1.837 10 30 ADEEMO C=CC[C@@H](C)[NH2+]CCNC(C)(C)C 230976222 572659365 /nfs/dbraw/zinc/65/93/65/572659365.db2.gz JUZRKMCSLRNEEV-SNVBAGLBSA-N 1 1 184.327 1.929 10 30 ADEEMO CC[C@H](C)N1CC[N@H+](C)C[C@H]1CC#N 251952949 572659366 /nfs/dbraw/zinc/65/93/66/572659366.db2.gz USDWKQFLXKRAJR-WDEREUQCSA-N 1 1 195.310 1.315 10 30 ADEEMO CC[C@H](C)N1CC[N@@H+](C)C[C@H]1CC#N 251952949 572659370 /nfs/dbraw/zinc/65/93/70/572659370.db2.gz USDWKQFLXKRAJR-WDEREUQCSA-N 1 1 195.310 1.315 10 30 ADEEMO N#C[C@@H](C[NH2+]CC1CC1)C(F)(F)F 236127930 572659601 /nfs/dbraw/zinc/65/96/01/572659601.db2.gz GOCUXVVMZWTGGZ-ZETCQYMHSA-N 1 1 192.184 1.688 10 30 ADEEMO C#CCC[N@@H+](CC#C)CCC 307857958 572659497 /nfs/dbraw/zinc/65/94/97/572659497.db2.gz GHWFUUKITSBVQB-UHFFFAOYSA-N 1 1 149.237 1.355 10 30 ADEEMO CC[C@H](C)[N@H+]1CCC[C@H](C=O)C1 54219222 572660309 /nfs/dbraw/zinc/66/03/09/572660309.db2.gz CNSOYPBGBSOZKK-UWVGGRQHSA-N 1 1 169.268 1.696 10 30 ADEEMO O=C[C@@H]1CCC[N@H+](Cc2ccno2)C1 54219253 572660699 /nfs/dbraw/zinc/66/06/99/572660699.db2.gz HFDQPOMPDDUAQI-SECBINFHSA-N 1 1 194.234 1.086 10 30 ADEEMO O=C[C@@H]1CCC[N@@H+](Cc2ccno2)C1 54219253 572660704 /nfs/dbraw/zinc/66/07/04/572660704.db2.gz HFDQPOMPDDUAQI-SECBINFHSA-N 1 1 194.234 1.086 10 30 ADEEMO CC#C[C@]1(O)CCC[N@H+](CC)CC1 306449347 572660777 /nfs/dbraw/zinc/66/07/77/572660777.db2.gz YDMNPYOPSXPADS-NSHDSACASA-N 1 1 181.279 1.247 10 30 ADEEMO C#C[C@@H](Nc1nc(N)cc[nH+]1)C(C)C 301016356 572660781 /nfs/dbraw/zinc/66/07/81/572660781.db2.gz ZRWPGYKAJJNNBX-MRVPVSSYSA-N 1 1 190.250 1.129 10 30 ADEEMO C=CC[N@@H+]1CC[C@@H](C)C1 306475546 572661525 /nfs/dbraw/zinc/66/15/25/572661525.db2.gz SBNJPYGNPCRKGS-MRVPVSSYSA-N 1 1 125.215 1.514 10 30 ADEEMO C#C[C@H](CC)N1CC[C@H]2[NH2+]CC[C@@H]2C1 307682611 572661049 /nfs/dbraw/zinc/66/10/49/572661049.db2.gz RTINYGPDCVHFLK-IJLUTSLNSA-N 1 1 192.306 1.082 10 30 ADEEMO O=C[C@H]1CCC[N@H+](Cc2ccno2)C1 54219251 572661205 /nfs/dbraw/zinc/66/12/05/572661205.db2.gz HFDQPOMPDDUAQI-VIFPVBQESA-N 1 1 194.234 1.086 10 30 ADEEMO O=C[C@H]1CCC[N@@H+](Cc2ccno2)C1 54219251 572661209 /nfs/dbraw/zinc/66/12/09/572661209.db2.gz HFDQPOMPDDUAQI-VIFPVBQESA-N 1 1 194.234 1.086 10 30 ADEEMO C#CC[N@H+](C)CC(=C)CC 306473510 572661305 /nfs/dbraw/zinc/66/13/05/572661305.db2.gz JCKILGKVBODNFH-UHFFFAOYSA-N 1 1 137.226 1.518 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCC[C@H](C=O)C1 54218828 572661426 /nfs/dbraw/zinc/66/14/26/572661426.db2.gz PDZPTVYKRHQWMX-UWVGGRQHSA-N 1 1 167.252 1.472 10 30 ADEEMO C=CCC[N@@H+]1CC[C@@H](C)C1 306426697 572661732 /nfs/dbraw/zinc/66/17/32/572661732.db2.gz BFXOWGAPUPYIKV-SECBINFHSA-N 1 1 139.242 1.904 10 30 ADEEMO C#CCC[N@H+]1CCC[C@H]2C[C@H]21 306470567 572665792 /nfs/dbraw/zinc/66/57/92/572665792.db2.gz XSRMUIAGWRYQNE-VHSXEESVSA-N 1 1 149.237 1.494 10 30 ADEEMO C=CCSCC[C@@](C)([NH3+])C#N 307864266 572661835 /nfs/dbraw/zinc/66/18/35/572661835.db2.gz FAXKPFDIKOBLEB-MRVPVSSYSA-N 1 1 170.281 1.537 10 30 ADEEMO O=C[C@@H]1CCC[N@@H+](C[C@@H]2CCCO2)C1 54217881 572661882 /nfs/dbraw/zinc/66/18/82/572661882.db2.gz QGMVTRMEFZCCML-MNOVXSKESA-N 1 1 197.278 1.076 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCC[C@H](C=O)C1 54218830 572662057 /nfs/dbraw/zinc/66/20/57/572662057.db2.gz PDZPTVYKRHQWMX-ZJUUUORDSA-N 1 1 167.252 1.472 10 30 ADEEMO CC[C@@H](C)[N@H+]1CCCN[C@@H](CC#N)C1 251954727 572662313 /nfs/dbraw/zinc/66/23/13/572662313.db2.gz UYGNDZLSTADTQH-MNOVXSKESA-N 1 1 195.310 1.362 10 30 ADEEMO C=C[C@H](C)[N@H+]1CC[C@@H](C)C[C@@H]1CN 235289619 572662386 /nfs/dbraw/zinc/66/23/86/572662386.db2.gz APSXTVRQXYJWDH-OUAUKWLOSA-N 1 1 182.311 1.620 10 30 ADEEMO O=C[C@H]1CCC[N@@H+](C[C@@H]2CCCO2)C1 54217879 572662382 /nfs/dbraw/zinc/66/23/82/572662382.db2.gz QGMVTRMEFZCCML-QWRGUYRKSA-N 1 1 197.278 1.076 10 30 ADEEMO C=C[C@H](C)[N@@H+]1CC[C@@H](C)C[C@@H]1CN 235289619 572662383 /nfs/dbraw/zinc/66/23/83/572662383.db2.gz APSXTVRQXYJWDH-OUAUKWLOSA-N 1 1 182.311 1.620 10 30 ADEEMO CC[C@H](C)[N@H+]1CCCN[C@@H](CC#N)C1 251954728 572662594 /nfs/dbraw/zinc/66/25/94/572662594.db2.gz UYGNDZLSTADTQH-QWRGUYRKSA-N 1 1 195.310 1.362 10 30 ADEEMO C#CC[N@H+]1CCS[C@H]2CCCC[C@H]21 306496939 572662820 /nfs/dbraw/zinc/66/28/20/572662820.db2.gz FQGPPJMVHSOFDQ-MNOVXSKESA-N 1 1 195.331 1.980 10 30 ADEEMO CC[C@@H](C)[N@H+]1CCN(C)[C@@H](CC#N)C1 251925437 572663080 /nfs/dbraw/zinc/66/30/80/572663080.db2.gz QPHHWSZGXVYUDX-MNOVXSKESA-N 1 1 195.310 1.315 10 30 ADEEMO C#CC[N@H+](C)[C@H]1CCC[C@@H]1SC 306421564 572663173 /nfs/dbraw/zinc/66/31/73/572663173.db2.gz HGCXWPKMRQVXIO-UWVGGRQHSA-N 1 1 183.320 1.836 10 30 ADEEMO O=C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCO1 54237278 572663482 /nfs/dbraw/zinc/66/34/82/572663482.db2.gz SBTUHYFYUPICTQ-QWRGUYRKSA-N 1 1 197.278 1.219 10 30 ADEEMO O=CC1CC[NH+](Cc2ccno2)CC1 54239105 572663559 /nfs/dbraw/zinc/66/35/59/572663559.db2.gz CYINRNOYKLMXBC-UHFFFAOYSA-N 1 1 194.234 1.086 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)CC1CCOCC1 306495583 572663813 /nfs/dbraw/zinc/66/38/13/572663813.db2.gz CBGCUCPPTSXGJQ-SNVBAGLBSA-N 1 1 181.279 1.367 10 30 ADEEMO CC[C@H](C)[N@H+]1CCCC[C@@H]1C=O 54238023 572666124 /nfs/dbraw/zinc/66/61/24/572666124.db2.gz UKOGNOZOUKHCTF-VHSXEESVSA-N 1 1 169.268 1.838 10 30 ADEEMO C#CCCN(C)[C@H]1CCCC[C@H]1[NH3+] 306454272 572663988 /nfs/dbraw/zinc/66/39/88/572663988.db2.gz ZNVHFRFNWQKBLC-MNOVXSKESA-N 1 1 180.295 1.211 10 30 ADEEMO C[C@H](C=O)C[N@H+]1C[C@@H](C)C[C@@H](C)C1 252096677 572664110 /nfs/dbraw/zinc/66/41/10/572664110.db2.gz HWTDSQYISGBRMF-AXFHLTTASA-N 1 1 183.295 1.799 10 30 ADEEMO C=CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C 306454345 572664160 /nfs/dbraw/zinc/66/41/60/572664160.db2.gz PFYORLZYQCYOCW-MNOVXSKESA-N 1 1 180.295 1.341 10 30 ADEEMO C[C@H]1C[C@H]([C@@H](C)C=O)C[C@@H](C)[N@@H+]1C 252099451 572664312 /nfs/dbraw/zinc/66/43/12/572664312.db2.gz IEYIXLZPXQVLOM-MMWGEVLESA-N 1 1 183.295 1.940 10 30 ADEEMO CC#C[C@@]1(O)CCC[N@H+](CC)CC1 306449346 572664637 /nfs/dbraw/zinc/66/46/37/572664637.db2.gz YDMNPYOPSXPADS-LLVKDONJSA-N 1 1 181.279 1.247 10 30 ADEEMO C/C=C/C[N@H+]1CCCC[C@H]1C=O 54238007 572664865 /nfs/dbraw/zinc/66/48/65/572664865.db2.gz WZPFZPHIOBAKBC-PBKGFPTLSA-N 1 1 167.252 1.616 10 30 ADEEMO C#CC[N@H+]1CCS[C@@H]2CCCC[C@@H]21 306496945 572664944 /nfs/dbraw/zinc/66/49/44/572664944.db2.gz FQGPPJMVHSOFDQ-WDEREUQCSA-N 1 1 195.331 1.980 10 30 ADEEMO C=CCC[N@H+]1CCC[C@H]2OCC[C@H]21 306443540 572665034 /nfs/dbraw/zinc/66/50/34/572665034.db2.gz QKGRPWZBRPOVOC-GHMZBOCLSA-N 1 1 181.279 1.816 10 30 ADEEMO CC[C@@H](C)[N@H+]1CCCC[C@@H]1C=O 54238022 572665042 /nfs/dbraw/zinc/66/50/42/572665042.db2.gz UKOGNOZOUKHCTF-NXEZZACHSA-N 1 1 169.268 1.838 10 30 ADEEMO O=CC1CC[NH+](C/C=C/Cl)CC1 54239082 572665094 /nfs/dbraw/zinc/66/50/94/572665094.db2.gz AURLHNPRHZIYNS-DAFODLJHSA-N 1 1 187.670 1.650 10 30 ADEEMO O=C[C@H]1CCCC[N@H+]1C[C@@H]1CCCO1 54237279 572665197 /nfs/dbraw/zinc/66/51/97/572665197.db2.gz SBTUHYFYUPICTQ-MNOVXSKESA-N 1 1 197.278 1.219 10 30 ADEEMO N#CCCCC[N@@H+]1CCC[C@H](C=O)C1 54236978 572665307 /nfs/dbraw/zinc/66/53/07/572665307.db2.gz UNBGARKRYKYERI-NSHDSACASA-N 1 1 194.278 1.591 10 30 ADEEMO C#CCC[N@@H+]1CCCC[C@@H]1C=O 54238014 572665320 /nfs/dbraw/zinc/66/53/20/572665320.db2.gz AWYCTCMCNLZSLR-SNVBAGLBSA-N 1 1 165.236 1.063 10 30 ADEEMO C=C1CCCN(c2ccc[nH+]c2N)C1 688700134 572665563 /nfs/dbraw/zinc/66/55/63/572665563.db2.gz XYWVKWOKVOITCG-UHFFFAOYSA-N 1 1 189.262 1.820 10 30 ADEEMO C/C=C/C[N@H+]1CCCC[C@@H]1C=O 54238006 572665604 /nfs/dbraw/zinc/66/56/04/572665604.db2.gz WZPFZPHIOBAKBC-VMZHVLLKSA-N 1 1 167.252 1.616 10 30 ADEEMO C=CCN1C[C@@H](C)[N@@H+]2CCC[C@@H]2C1 306400067 572665995 /nfs/dbraw/zinc/66/59/95/572665995.db2.gz NFZIWSFGUYGFLG-GHMZBOCLSA-N 1 1 180.295 1.341 10 30 ADEEMO C[C@H](C=O)[C@H]1C[C@H](C)[N@@H+](C)[C@H](C)C1 252099449 572666201 /nfs/dbraw/zinc/66/62/01/572666201.db2.gz IEYIXLZPXQVLOM-CHWFTXMASA-N 1 1 183.295 1.940 10 30 ADEEMO C=CCC[C@]1(O)CC[N@H+](C)C[C@@H]1C 306583915 572666679 /nfs/dbraw/zinc/66/66/79/572666679.db2.gz RINOZGQIWWHKGY-QWRGUYRKSA-N 1 1 183.295 1.655 10 30 ADEEMO C[C@H](C=O)C[N@H+]1CCC[C@H](C)CC1 252179051 572667114 /nfs/dbraw/zinc/66/71/14/572667114.db2.gz PPSOFGPKHOVJJF-QWRGUYRKSA-N 1 1 183.295 1.943 10 30 ADEEMO C=CC[C@]([NH3+])(C(=O)OC)C1=CCCC1 238388248 572667354 /nfs/dbraw/zinc/66/73/54/572667354.db2.gz HMELCSFKIDSCRK-LLVKDONJSA-N 1 1 195.262 1.543 10 30 ADEEMO C=CCO[C@H]1CC[N@H+](CC)C1 307670640 572667614 /nfs/dbraw/zinc/66/76/14/572667614.db2.gz QSNGRKJSBUVWRM-VIFPVBQESA-N 1 1 155.241 1.283 10 30 ADEEMO C#CCCN(C)[C@@H]1CCCC[C@H]1[NH3+] 306454271 572667629 /nfs/dbraw/zinc/66/76/29/572667629.db2.gz ZNVHFRFNWQKBLC-GHMZBOCLSA-N 1 1 180.295 1.211 10 30 ADEEMO C=C(C)C[N@@H+]1CCC[C@H]1[C@H](C)O 307671753 572667650 /nfs/dbraw/zinc/66/76/50/572667650.db2.gz XGFWDGNQDBSNSV-UWVGGRQHSA-N 1 1 169.268 1.408 10 30 ADEEMO C=C(C)[C@@H]1[C@@H](CC)[C@H](O)CC[N@H+]1C 306540353 572667654 /nfs/dbraw/zinc/66/76/54/572667654.db2.gz VZYJFHWEDYTSPW-HBNTYKKESA-N 1 1 183.295 1.654 10 30 ADEEMO C#CCCC[N@@H+]1CC[C@H](O)C1(C)C 306580521 572668248 /nfs/dbraw/zinc/66/82/48/572668248.db2.gz YPTLYWOCVNAQNJ-JTQLQIEISA-N 1 1 181.279 1.245 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)CCC1CC1 307667387 572668733 /nfs/dbraw/zinc/66/87/33/572668733.db2.gz HDQZMERQRPVSPV-SECBINFHSA-N 1 1 151.253 1.740 10 30 ADEEMO C=C(Cl)C[N@H+]1C[C@H](O)C2(CC2)C1 306477297 572668734 /nfs/dbraw/zinc/66/87/34/572668734.db2.gz KOKQTLSFZNPMQS-QMMMGPOBSA-N 1 1 187.670 1.196 10 30 ADEEMO C=C(Cl)C[N@@H+]1C[C@H](O)C2(CC2)C1 306477297 572668737 /nfs/dbraw/zinc/66/87/37/572668737.db2.gz KOKQTLSFZNPMQS-QMMMGPOBSA-N 1 1 187.670 1.196 10 30 ADEEMO C=C(CC)C[N@H+]1CC[NH2+]C[C@@H](C)C1 307600736 572668792 /nfs/dbraw/zinc/66/87/92/572668792.db2.gz RJGUALRWDJVZEP-LLVKDONJSA-N 1 1 182.311 1.494 10 30 ADEEMO C=C(CC)CN1CC[NH2+]C[C@@H](C)C1 307600736 572668795 /nfs/dbraw/zinc/66/87/95/572668795.db2.gz RJGUALRWDJVZEP-LLVKDONJSA-N 1 1 182.311 1.494 10 30 ADEEMO C[C@H](C=O)C[N@H+]1CCC[C@@H](C)CC1 252179050 572669367 /nfs/dbraw/zinc/66/93/67/572669367.db2.gz PPSOFGPKHOVJJF-MNOVXSKESA-N 1 1 183.295 1.943 10 30 ADEEMO C#C[C@H](C)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C 307682396 572673195 /nfs/dbraw/zinc/67/31/95/572673195.db2.gz RLDCGPCXOGNJES-SCVCMEIPSA-N 1 1 192.306 1.080 10 30 ADEEMO C#C[C@H](C)N[C@H]1C[N@H+](C2CC2)C[C@H]1C 307682396 572673197 /nfs/dbraw/zinc/67/31/97/572673197.db2.gz RLDCGPCXOGNJES-SCVCMEIPSA-N 1 1 192.306 1.080 10 30 ADEEMO C#CCN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 306512733 572670882 /nfs/dbraw/zinc/67/08/82/572670882.db2.gz QJNRQBINFXHVLP-WDEREUQCSA-N 1 1 180.295 1.034 10 30 ADEEMO C#CC[N@@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 306512733 572670885 /nfs/dbraw/zinc/67/08/85/572670885.db2.gz QJNRQBINFXHVLP-WDEREUQCSA-N 1 1 180.295 1.034 10 30 ADEEMO C#CC[N@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 306512733 572670889 /nfs/dbraw/zinc/67/08/89/572670889.db2.gz QJNRQBINFXHVLP-WDEREUQCSA-N 1 1 180.295 1.034 10 30 ADEEMO C=C(C[N@@H+]1C[C@H]2CCC[C@H]2C1)OC 306511906 572671105 /nfs/dbraw/zinc/67/11/05/572671105.db2.gz OFFBBKDIAYPHOJ-PHIMTYICSA-N 1 1 181.279 1.878 10 30 ADEEMO C#C[C@H](Nc1nc(N)cc[nH+]1)C(C)C 301016357 572671202 /nfs/dbraw/zinc/67/12/02/572671202.db2.gz ZRWPGYKAJJNNBX-QMMMGPOBSA-N 1 1 190.250 1.129 10 30 ADEEMO C=CC[N@H+]1CCC[C@H]2OCC[C@H]21 306511200 572671367 /nfs/dbraw/zinc/67/13/67/572671367.db2.gz MLSIFGBFKIKWPB-NXEZZACHSA-N 1 1 167.252 1.426 10 30 ADEEMO C=CC[N@@H+]1CCCC[C@H](CO)C1 306585859 572671507 /nfs/dbraw/zinc/67/15/07/572671507.db2.gz KJCPRZYZVOMSSG-JTQLQIEISA-N 1 1 169.268 1.267 10 30 ADEEMO C#C[C@@H](C)[NH2+]Cc1ccccc1C#N 235193972 572671572 /nfs/dbraw/zinc/67/15/72/572671572.db2.gz FVRAEILFMIQXSS-SNVBAGLBSA-N 1 1 184.242 1.670 10 30 ADEEMO CC#CC[N@H+]1C[C@H](C)OCC1(C)C 306515945 572672463 /nfs/dbraw/zinc/67/24/63/572672463.db2.gz XCQIQENBJJVUCB-JTQLQIEISA-N 1 1 181.279 1.509 10 30 ADEEMO C=CCCCC[N@H+]1CCNC[C@H]1C 238397542 572672969 /nfs/dbraw/zinc/67/29/69/572672969.db2.gz UGKVWPAODOMFJC-LLVKDONJSA-N 1 1 182.311 1.636 10 30 ADEEMO C=CCCCC[N@@H+]1CCNC[C@H]1C 238397542 572672975 /nfs/dbraw/zinc/67/29/75/572672975.db2.gz UGKVWPAODOMFJC-LLVKDONJSA-N 1 1 182.311 1.636 10 30 ADEEMO C#CC(C)(C)[N@H+](C)CCSC 307697852 572673351 /nfs/dbraw/zinc/67/33/51/572673351.db2.gz GZXQWUJLHSLMOS-UHFFFAOYSA-N 1 1 171.309 1.693 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCO[C@@H](C2CC2)C1 306531697 572673845 /nfs/dbraw/zinc/67/38/45/572673845.db2.gz GAUBYVKRNNOWHQ-MWLCHTKSSA-N 1 1 181.279 1.672 10 30 ADEEMO C#CCCC[N@@H+]1CC[C@@H]1CC 307691731 572673629 /nfs/dbraw/zinc/67/36/29/572673629.db2.gz QBUSUIHEAHVZGU-JTQLQIEISA-N 1 1 151.253 1.884 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCC[C@@](F)(CO)C1 306511931 572673784 /nfs/dbraw/zinc/67/37/84/572673784.db2.gz OHLLVHJEESMMJF-UWVGGRQHSA-N 1 1 187.258 1.357 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)CCC1CC1 307667388 572674174 /nfs/dbraw/zinc/67/41/74/572674174.db2.gz HDQZMERQRPVSPV-VIFPVBQESA-N 1 1 151.253 1.740 10 30 ADEEMO COCC#CC[N@@H+](C)[C@H]1CC1(C)C 306512724 572674722 /nfs/dbraw/zinc/67/47/22/572674722.db2.gz QJIUVQYTUQAVPF-JTQLQIEISA-N 1 1 181.279 1.367 10 30 ADEEMO CC#CCC[N@H+]1CCC[C@H](O)[C@H]1C 307603833 572676378 /nfs/dbraw/zinc/67/63/78/572676378.db2.gz UQILIKOZLZCBDI-MNOVXSKESA-N 1 1 181.279 1.245 10 30 ADEEMO C=CC[N@@H+]1C[C@H](C)[C@H]1C 306599365 572674877 /nfs/dbraw/zinc/67/48/77/572674877.db2.gz YIYVAFQCWUHOEV-JGVFFNPUSA-N 1 1 125.215 1.513 10 30 ADEEMO C#CC[N@H+](C)[C@@]1(CO)CC[C@@H](C)C1 307664417 572674887 /nfs/dbraw/zinc/67/48/87/572674887.db2.gz KGDGXUHURSCOEP-MNOVXSKESA-N 1 1 181.279 1.103 10 30 ADEEMO C#CC[N@H+](C)[C@@]1(CO)CC[C@H](C)C1 307664418 572675008 /nfs/dbraw/zinc/67/50/08/572675008.db2.gz KGDGXUHURSCOEP-QWRGUYRKSA-N 1 1 181.279 1.103 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)C[C@H]1CC[C@@H](C)O1 307658260 572676294 /nfs/dbraw/zinc/67/62/94/572676294.db2.gz CCKJFAWXNJILIP-HBNTYKKESA-N 1 1 181.279 1.507 10 30 ADEEMO CC#CC[NH2+][C@H](C)c1ncc[nH]1 307682259 572675333 /nfs/dbraw/zinc/67/53/33/572675333.db2.gz QZOVYVMLUFLOBN-MRVPVSSYSA-N 1 1 163.224 1.084 10 30 ADEEMO C[C@H]1C[C@@H](O)C[N@H+]1CC#CC(C)(C)C 306596361 572675412 /nfs/dbraw/zinc/67/54/12/572675412.db2.gz VBPDZHVGDPAJSN-WDEREUQCSA-N 1 1 195.306 1.491 10 30 ADEEMO C#C[C@@H](C)[N@H+](C)Cc1cncs1 307602391 572675535 /nfs/dbraw/zinc/67/55/35/572675535.db2.gz TWVFBHMGMKIWSY-MRVPVSSYSA-N 1 1 180.276 1.597 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)Cc1cncs1 307602391 572675538 /nfs/dbraw/zinc/67/55/38/572675538.db2.gz TWVFBHMGMKIWSY-MRVPVSSYSA-N 1 1 180.276 1.597 10 30 ADEEMO C#CC[N@H+](CC=C)C(C)(C)C 307648758 572675585 /nfs/dbraw/zinc/67/55/85/572675585.db2.gz FEGHVACXVNVJGV-UHFFFAOYSA-N 1 1 151.253 1.906 10 30 ADEEMO C=CC[N@@H+]1C[C@@H](C)[C@H]1C 306599364 572675774 /nfs/dbraw/zinc/67/57/74/572675774.db2.gz YIYVAFQCWUHOEV-HTQZYQBOSA-N 1 1 125.215 1.513 10 30 ADEEMO C=CC[C@H]1[C@@H](O)CC[C@@H]2CCCC[N@H+]21 306567861 572676164 /nfs/dbraw/zinc/67/61/64/572676164.db2.gz ILYBRXYPKMSBHW-SRVKXCTJSA-N 1 1 195.306 1.940 10 30 ADEEMO C=CC[C@H](CO)[N@@H+]1CC[C@H]1C 307647010 572676256 /nfs/dbraw/zinc/67/62/56/572676256.db2.gz CDTYFFPSLYCOFI-RKDXNWHRSA-N 1 1 155.241 1.018 10 30 ADEEMO C#CC[N@H+](CC)C1CCN(C)CC1 306525863 572676753 /nfs/dbraw/zinc/67/67/53/572676753.db2.gz RSRLBZUYERYMJE-UHFFFAOYSA-N 1 1 180.295 1.036 10 30 ADEEMO C#CCN(CC)C1CC[NH+](C)CC1 306525863 572676757 /nfs/dbraw/zinc/67/67/57/572676757.db2.gz RSRLBZUYERYMJE-UHFFFAOYSA-N 1 1 180.295 1.036 10 30 ADEEMO C#CC[NH+](CC#C)C/C=C/C 307635907 572677201 /nfs/dbraw/zinc/67/72/01/572677201.db2.gz SUJQYGAETCPWOI-QPJJXVBHSA-N 1 1 147.221 1.131 10 30 ADEEMO C=CCCCOc1nnc(C[NH3+])s1 87699490 572677271 /nfs/dbraw/zinc/67/72/71/572677271.db2.gz UWKOGLLYLRXQEV-UHFFFAOYSA-N 1 1 199.279 1.342 10 30 ADEEMO C=CC[NH2+][C@H](C)c1ccon1 307607909 572677330 /nfs/dbraw/zinc/67/73/30/572677330.db2.gz CHYOZSVFSPINFF-SSDOTTSWSA-N 1 1 152.197 1.511 10 30 ADEEMO C[C@H]1[C@@H](C#N)CC[C@@H](C)[N@@H+]1C 74343245 572677424 /nfs/dbraw/zinc/67/74/24/572677424.db2.gz GJUCFZDFTRXKDP-HRDYMLBCSA-N 1 1 152.241 1.629 10 30 ADEEMO C=C(C)[C@@H]1C[N@H+]2CCC[C@@H]2[C@@H]1O 307673936 572677455 /nfs/dbraw/zinc/67/74/55/572677455.db2.gz ALVSEOCOLQEWER-IVZWLZJFSA-N 1 1 167.252 1.018 10 30 ADEEMO C=CC[C@@H](CO)[N@@H+]1CC[C@H]1C 307647004 572677537 /nfs/dbraw/zinc/67/75/37/572677537.db2.gz CDTYFFPSLYCOFI-BDAKNGLRSA-N 1 1 155.241 1.018 10 30 ADEEMO C=CCCOc1nnc(C[NH2+]C)s1 87698752 572677584 /nfs/dbraw/zinc/67/75/84/572677584.db2.gz PJSQUFBPQWJXNI-UHFFFAOYSA-N 1 1 199.279 1.212 10 30 ADEEMO C=CCC[C@]1(O)CC[N@H+](C)C[C@H]1C 306583913 572677754 /nfs/dbraw/zinc/67/77/54/572677754.db2.gz RINOZGQIWWHKGY-MNOVXSKESA-N 1 1 183.295 1.655 10 30 ADEEMO C=CC[N@@H+]1C[C@H](C)[C@@H]1C 306599367 572677813 /nfs/dbraw/zinc/67/78/13/572677813.db2.gz YIYVAFQCWUHOEV-YUMQZZPRSA-N 1 1 125.215 1.513 10 30 ADEEMO C=CCOc1nnc(C[NH2+]CC)s1 87698728 572677998 /nfs/dbraw/zinc/67/79/98/572677998.db2.gz UNANGBCHXBBJAZ-UHFFFAOYSA-N 1 1 199.279 1.212 10 30 ADEEMO C#CCCC[N@@H+]1C[C@H](C)[C@@H]1C 306527246 572678377 /nfs/dbraw/zinc/67/83/77/572678377.db2.gz WURKQSXDGGQSFH-UWVGGRQHSA-N 1 1 151.253 1.740 10 30 ADEEMO C#C[C@H](CC)N1CC[C@@H]2[NH2+]CC[C@H]2C1 307682613 572678389 /nfs/dbraw/zinc/67/83/89/572678389.db2.gz RTINYGPDCVHFLK-TUAOUCFPSA-N 1 1 192.306 1.082 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCC[C@](F)(CO)C1 306511932 572678559 /nfs/dbraw/zinc/67/85/59/572678559.db2.gz OHLLVHJEESMMJF-VHSXEESVSA-N 1 1 187.258 1.357 10 30 ADEEMO C#CC(C)(C)[N@@H+]1CC[C@@H](O)C[C@H]1C 307689406 572678652 /nfs/dbraw/zinc/67/86/52/572678652.db2.gz GMVUXZINTVPGQK-NXEZZACHSA-N 1 1 181.279 1.243 10 30 ADEEMO C#CC[N@@H+](CC1(F)CC1)C1CC1 308093502 572678670 /nfs/dbraw/zinc/67/86/70/572678670.db2.gz WCXPRHQYYKSKGA-UHFFFAOYSA-N 1 1 167.227 1.586 10 30 ADEEMO C#CC[N@@H+]1CC[C@@H](CC(F)(F)F)C1 306500495 572678672 /nfs/dbraw/zinc/67/86/72/572678672.db2.gz YJEQLRIKUOXLGN-QMMMGPOBSA-N 1 1 191.196 1.894 10 30 ADEEMO C#CC[N@H+](CC1(F)CC1)C1CC1 308093502 572678673 /nfs/dbraw/zinc/67/86/73/572678673.db2.gz WCXPRHQYYKSKGA-UHFFFAOYSA-N 1 1 167.227 1.586 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCOC[C@@H](C)C1 307621180 572678805 /nfs/dbraw/zinc/67/88/05/572678805.db2.gz GBCCHQLBEAUWAE-UWVGGRQHSA-N 1 1 169.268 1.529 10 30 ADEEMO C#CC[N@@H+]1C[C@H](C)O[C@@H](CC)C1 306530776 572679376 /nfs/dbraw/zinc/67/93/76/572679376.db2.gz HLQNUQNONCKCIN-UWVGGRQHSA-N 1 1 167.252 1.119 10 30 ADEEMO C#CC[N@H+]1C[C@H](C)O[C@@H](CC)C1 306530776 572679380 /nfs/dbraw/zinc/67/93/80/572679380.db2.gz HLQNUQNONCKCIN-UWVGGRQHSA-N 1 1 167.252 1.119 10 30 ADEEMO C=C1CCC[N@H+]([C@@H]2C[C@@H]2CO)C1 306569529 572679841 /nfs/dbraw/zinc/67/98/41/572679841.db2.gz LGBRMNWHZPDODU-NXEZZACHSA-N 1 1 167.252 1.019 10 30 ADEEMO C#C[C@@H](C)[N@H+](C)CC[C@@H](C)F 307622220 572679961 /nfs/dbraw/zinc/67/99/61/572679961.db2.gz LAJAHKHZRZXAFW-RKDXNWHRSA-N 1 1 157.232 1.688 10 30 ADEEMO C=CC[C@H]1[C@H](O)CC[C@@H]2CCCC[N@H+]21 306567859 572680141 /nfs/dbraw/zinc/68/01/41/572680141.db2.gz ILYBRXYPKMSBHW-SDDRHHMPSA-N 1 1 195.306 1.940 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)C[C@H]1CC[C@H](C)O1 307658258 572680191 /nfs/dbraw/zinc/68/01/91/572680191.db2.gz CCKJFAWXNJILIP-GARJFASQSA-N 1 1 181.279 1.507 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CC[C@](C)(CO)C1 307676227 572680297 /nfs/dbraw/zinc/68/02/97/572680297.db2.gz GXPIEUCBQMVDQM-ZJUUUORDSA-N 1 1 169.268 1.265 10 30 ADEEMO CC#CC[N@H+]1CC(C)(C)C[C@@H]1CO 307679480 572680248 /nfs/dbraw/zinc/68/02/48/572680248.db2.gz MNTCWIYCQDTEBS-SNVBAGLBSA-N 1 1 181.279 1.103 10 30 ADEEMO C#CC[N@H+](C)Cc1ccc(O)c(N)c1 307647952 572680453 /nfs/dbraw/zinc/68/04/53/572680453.db2.gz FSNSPFWKPXUCEA-UHFFFAOYSA-N 1 1 190.246 1.039 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCOC[C@H](C)C1 307621182 572680562 /nfs/dbraw/zinc/68/05/62/572680562.db2.gz GBCCHQLBEAUWAE-ZJUUUORDSA-N 1 1 169.268 1.529 10 30 ADEEMO C=CC[N@H+](C)C1CCS(=O)CC1 307692310 572680914 /nfs/dbraw/zinc/68/09/14/572680914.db2.gz RGYHGJUEDPWTKN-UHFFFAOYSA-N 1 1 187.308 1.015 10 30 ADEEMO C#CC[N@@H+](C1CC1)[C@@H](C)CC 307668985 572681225 /nfs/dbraw/zinc/68/12/25/572681225.db2.gz LXAFTAIRDVDJPU-VIFPVBQESA-N 1 1 151.253 1.883 10 30 ADEEMO C#CC[N@H+]1CC[C@H]2CCC[C@H]21 307682885 572681237 /nfs/dbraw/zinc/68/12/37/572681237.db2.gz SLWTZXVAONTNIQ-NXEZZACHSA-N 1 1 149.237 1.494 10 30 ADEEMO C=CC[N@@H+]1CCC[C@@H]2C[C@H](O)CC[C@@H]21 306505463 572681308 /nfs/dbraw/zinc/68/13/08/572681308.db2.gz SUJYNNGTQFGQSU-UTUOFQBUSA-N 1 1 195.306 1.798 10 30 ADEEMO CC#CCC[N@H+]1CCC[C@H](O)[C@@H]1C 307603834 572681442 /nfs/dbraw/zinc/68/14/42/572681442.db2.gz UQILIKOZLZCBDI-QWRGUYRKSA-N 1 1 181.279 1.245 10 30 ADEEMO C=C(Cl)C[N@@H+]1CC[C@H](O)C1(C)C 306531330 572681509 /nfs/dbraw/zinc/68/15/09/572681509.db2.gz KPMCLJLKWHYPOX-QMMMGPOBSA-N 1 1 189.686 1.584 10 30 ADEEMO C[C@H]1C[C@H](O)C[N@H+]1CC#CC(C)(C)C 306596360 572681665 /nfs/dbraw/zinc/68/16/65/572681665.db2.gz VBPDZHVGDPAJSN-QWRGUYRKSA-N 1 1 195.306 1.491 10 30 ADEEMO CC#CC[N@@H+](C)CC[C@H](C)F 307676768 572681764 /nfs/dbraw/zinc/68/17/64/572681764.db2.gz JKAVVMAEJJPZQY-VIFPVBQESA-N 1 1 157.232 1.690 10 30 ADEEMO C#CCCC[N@@H+]1C[C@@H](C)[C@H]1C 306527245 572681770 /nfs/dbraw/zinc/68/17/70/572681770.db2.gz WURKQSXDGGQSFH-NXEZZACHSA-N 1 1 151.253 1.740 10 30 ADEEMO C=C[C@H](C)N1C[C@@H](C)[NH+](C)[C@H](C)C1 307684047 572681860 /nfs/dbraw/zinc/68/18/60/572681860.db2.gz VIUJMVUFDFAIIG-HBNTYKKESA-N 1 1 182.311 1.585 10 30 ADEEMO C#CCC[N@@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C 306581202 572681940 /nfs/dbraw/zinc/68/19/40/572681940.db2.gz ZHQOAHZVZKOIGC-DCAQKATOSA-N 1 1 181.279 1.507 10 30 ADEEMO C#CCC[N@@H+]1C[C@H](C)O[C@H](C)[C@H]1C 306581206 572682008 /nfs/dbraw/zinc/68/20/08/572682008.db2.gz ZHQOAHZVZKOIGC-HBNTYKKESA-N 1 1 181.279 1.507 10 30 ADEEMO C=CCC[C@@]1(O)CC[N@H+](C)C[C@H]1C 306583911 572682034 /nfs/dbraw/zinc/68/20/34/572682034.db2.gz RINOZGQIWWHKGY-GHMZBOCLSA-N 1 1 183.295 1.655 10 30 ADEEMO CC#CCC[N@H+]1CCC[C@@H](O)[C@H]1C 307603832 572682189 /nfs/dbraw/zinc/68/21/89/572682189.db2.gz UQILIKOZLZCBDI-GHMZBOCLSA-N 1 1 181.279 1.245 10 30 ADEEMO C#CC[N@H+]1C[C@H]2CCC[C@@H]21 307684773 572682588 /nfs/dbraw/zinc/68/25/88/572682588.db2.gz WNLBICMCVNEGGR-BDAKNGLRSA-N 1 1 135.210 1.104 10 30 ADEEMO C=C[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]1C2 307603548 572682834 /nfs/dbraw/zinc/68/28/34/572682834.db2.gz ZWYUANRFWKDSOB-SRVKXCTJSA-N 1 1 194.322 1.635 10 30 ADEEMO C=C[C@H](C)[NH2+][C@H]1CCN2CCC[C@H]1C2 307603548 572682840 /nfs/dbraw/zinc/68/28/40/572682840.db2.gz ZWYUANRFWKDSOB-SRVKXCTJSA-N 1 1 194.322 1.635 10 30 ADEEMO CC[N@H+]1CC[C@H](C)N(C)[C@@H](CC#N)C1 250369914 572682995 /nfs/dbraw/zinc/68/29/95/572682995.db2.gz VLZPGLYCAFQMGA-QWRGUYRKSA-N 1 1 195.310 1.315 10 30 ADEEMO CC[N@H+]1CC[C@@H](C)N(C)[C@@H](CC#N)C1 250369912 572683120 /nfs/dbraw/zinc/68/31/20/572683120.db2.gz VLZPGLYCAFQMGA-MNOVXSKESA-N 1 1 195.310 1.315 10 30 ADEEMO C#CCCC[N@H+]1CC[C@@H]2C[C@@H]21 307669114 572683132 /nfs/dbraw/zinc/68/31/32/572683132.db2.gz RTFBXIJDPALVFF-ZJUUUORDSA-N 1 1 149.237 1.494 10 30 ADEEMO C=C1CCC[N@H+]([C@H]2C[C@@H]2CO)C1 306569532 572683194 /nfs/dbraw/zinc/68/31/94/572683194.db2.gz LGBRMNWHZPDODU-ZJUUUORDSA-N 1 1 167.252 1.019 10 30 ADEEMO C=C1CCC[N@H+]([C@@H]2C[C@H]2CO)C1 306569531 572683208 /nfs/dbraw/zinc/68/32/08/572683208.db2.gz LGBRMNWHZPDODU-VHSXEESVSA-N 1 1 167.252 1.019 10 30 ADEEMO C=C1CCC[N@H+]([C@H]2C[C@H]2CO)C1 306569530 572683289 /nfs/dbraw/zinc/68/32/89/572683289.db2.gz LGBRMNWHZPDODU-UWVGGRQHSA-N 1 1 167.252 1.019 10 30 ADEEMO CC#CC[N@@H+](C)C1(CO)CCCC1 306529815 572683771 /nfs/dbraw/zinc/68/37/71/572683771.db2.gz GJANLNLPARKPLP-UHFFFAOYSA-N 1 1 181.279 1.247 10 30 ADEEMO C=CC[N@@H+]1CCC[C@@H]2C[C@H](O)CC[C@H]21 306505462 572683956 /nfs/dbraw/zinc/68/39/56/572683956.db2.gz SUJYNNGTQFGQSU-IJLUTSLNSA-N 1 1 195.306 1.798 10 30 ADEEMO C=CC[NH2+]Cc1nnc(C)s1 307660238 572684330 /nfs/dbraw/zinc/68/43/30/572684330.db2.gz TVNIDBRDUCZHSM-UHFFFAOYSA-N 1 1 169.253 1.122 10 30 ADEEMO C=C[C@H](C)N1C[C@H](C)[C@H]([NH+](C)C)C1 306564233 572684813 /nfs/dbraw/zinc/68/48/13/572684813.db2.gz WPQHNSDQDIWURC-GARJFASQSA-N 1 1 182.311 1.443 10 30 ADEEMO C=CC[NH2+]Cc1cc(F)ccc1C#N 236153312 572684421 /nfs/dbraw/zinc/68/44/21/572684421.db2.gz OYTNPKLLXQNFJZ-UHFFFAOYSA-N 1 1 190.221 1.973 10 30 ADEEMO CC#CC[N@H+]1CC(C)(C)C[C@H]1CO 307679478 572684848 /nfs/dbraw/zinc/68/48/48/572684848.db2.gz MNTCWIYCQDTEBS-JTQLQIEISA-N 1 1 181.279 1.103 10 30 ADEEMO C=C[C@H](C)[N@H+]1C[C@H](C)[C@H](N(C)C)C1 306564233 572684808 /nfs/dbraw/zinc/68/48/08/572684808.db2.gz WPQHNSDQDIWURC-GARJFASQSA-N 1 1 182.311 1.443 10 30 ADEEMO CCC[N@@H+](C)CCNC[C@H](C)C#N 688687783 572685217 /nfs/dbraw/zinc/68/52/17/572685217.db2.gz FJIMISDIAIBMKX-SNVBAGLBSA-N 1 1 183.299 1.077 10 30 ADEEMO C=CC[N@@H+]1CCC[C@@H]2C[C@@H](O)CC[C@H]21 306505461 572685281 /nfs/dbraw/zinc/68/52/81/572685281.db2.gz SUJYNNGTQFGQSU-GRYCIOLGSA-N 1 1 195.306 1.798 10 30 ADEEMO CCC[N@@H+](C)CCNC[C@@H](C)C#N 688687782 572685350 /nfs/dbraw/zinc/68/53/50/572685350.db2.gz FJIMISDIAIBMKX-JTQLQIEISA-N 1 1 183.299 1.077 10 30 ADEEMO C=C(C)[C@@H]1[C@H](CC)[C@H](O)CC[N@H+]1C 306540352 572685366 /nfs/dbraw/zinc/68/53/66/572685366.db2.gz VZYJFHWEDYTSPW-GMTAPVOTSA-N 1 1 183.295 1.654 10 30 ADEEMO C=CC[N@H+](CC)C1CC1 306549371 572685688 /nfs/dbraw/zinc/68/56/88/572685688.db2.gz GYEOBALPVDTZAD-UHFFFAOYSA-N 1 1 125.215 1.657 10 30 ADEEMO C#CCCC[N@@H+]1CC[C@@H](O)C1(C)C 306580522 572685831 /nfs/dbraw/zinc/68/58/31/572685831.db2.gz YPTLYWOCVNAQNJ-SNVBAGLBSA-N 1 1 181.279 1.245 10 30 ADEEMO C#CCCCCCOC(=O)[C@@H](C)[NH3+] 238408723 572686534 /nfs/dbraw/zinc/68/65/34/572686534.db2.gz ODUNLPUEHVVSJY-SECBINFHSA-N 1 1 183.251 1.070 10 30 ADEEMO CCOC(=O)C#CC[NH+]1CCCCC1 116412751 572685847 /nfs/dbraw/zinc/68/58/47/572685847.db2.gz BZCDRFOYWKYTND-UHFFFAOYSA-N 1 1 195.262 1.039 10 30 ADEEMO C#CCCCCCC[C@@H]([NH3+])C(=O)OC 116432594 572685922 /nfs/dbraw/zinc/68/59/22/572685922.db2.gz VJAUMCYCVMEGSY-SNVBAGLBSA-N 1 1 197.278 1.461 10 30 ADEEMO C=C[C@H](C)[N@@H+]1C[C@@H](N(C)C)[C@H](C)C1 306564234 572685974 /nfs/dbraw/zinc/68/59/74/572685974.db2.gz WPQHNSDQDIWURC-OUAUKWLOSA-N 1 1 182.311 1.443 10 30 ADEEMO C=C[C@H](C)N1C[C@@H]([NH+](C)C)[C@H](C)C1 306564234 572685980 /nfs/dbraw/zinc/68/59/80/572685980.db2.gz WPQHNSDQDIWURC-OUAUKWLOSA-N 1 1 182.311 1.443 10 30 ADEEMO C=C(CC)C[N@@H+]1CC[C@@H](N)[C@@H]1C 306531706 572686060 /nfs/dbraw/zinc/68/60/60/572686060.db2.gz IHSAQNFHNXKQIR-VHSXEESVSA-N 1 1 168.284 1.374 10 30 ADEEMO C=C(CC)C[N@H+]1CC[C@@H](N)[C@@H]1C 306531706 572686064 /nfs/dbraw/zinc/68/60/64/572686064.db2.gz IHSAQNFHNXKQIR-VHSXEESVSA-N 1 1 168.284 1.374 10 30 ADEEMO C=CC[C@@H]1[C@H](O)CC[C@@H]2CCCC[N@H+]21 306567857 572686484 /nfs/dbraw/zinc/68/64/84/572686484.db2.gz ILYBRXYPKMSBHW-QJPTWQEYSA-N 1 1 195.306 1.940 10 30 ADEEMO C#CCCCCCC[C@H]([NH3+])C(=O)OC 116432592 572686827 /nfs/dbraw/zinc/68/68/27/572686827.db2.gz VJAUMCYCVMEGSY-JTQLQIEISA-N 1 1 197.278 1.461 10 30 ADEEMO C#CCCCCC[C@@H]([NH3+])C(=O)OC 116430506 572688615 /nfs/dbraw/zinc/68/86/15/572688615.db2.gz IEZCGEHKQIBBKK-SECBINFHSA-N 1 1 183.251 1.070 10 30 ADEEMO C#C[C@H](C)[NH2+][C@@H]1C[C@H](C)n2ccnc21 307620655 572687279 /nfs/dbraw/zinc/68/72/79/572687279.db2.gz FOGQQMRQZSBTLW-LPEHRKFASA-N 1 1 189.262 1.500 10 30 ADEEMO C=CC[C@@H](C)[N@@H+]1CCN[C@H](C(C)C)C1 252914271 572687552 /nfs/dbraw/zinc/68/75/52/572687552.db2.gz QMBLKWWWCNHXRZ-NEPJUHHUSA-N 1 1 196.338 1.881 10 30 ADEEMO C=CC[C@@H](C)N1CC[NH2+][C@H](C(C)C)C1 252914271 572687555 /nfs/dbraw/zinc/68/75/55/572687555.db2.gz QMBLKWWWCNHXRZ-NEPJUHHUSA-N 1 1 196.338 1.881 10 30 ADEEMO C#C[C@@](C)(CC)Nc1cc[nH+]c(N)n1 307605769 572687711 /nfs/dbraw/zinc/68/77/11/572687711.db2.gz ZFPXLKXXADVPCO-JTQLQIEISA-N 1 1 190.250 1.273 10 30 ADEEMO C=CC[NH2+][C@@H](C)c1ccon1 307607910 572690450 /nfs/dbraw/zinc/69/04/50/572690450.db2.gz CHYOZSVFSPINFF-ZETCQYMHSA-N 1 1 152.197 1.511 10 30 ADEEMO CO[C@@H](C)C[N@@H+](C)CCCS 393477959 572687948 /nfs/dbraw/zinc/68/79/48/572687948.db2.gz GNNDNDYQHLCXNO-QMMMGPOBSA-N 1 1 177.313 1.273 10 30 ADEEMO C#CCC[N@@H+]1C[C@H](C)O[C@@H](C)[C@H]1C 306581200 572688567 /nfs/dbraw/zinc/68/85/67/572688567.db2.gz ZHQOAHZVZKOIGC-AXFHLTTASA-N 1 1 181.279 1.507 10 30 ADEEMO CO[C@H](C)C[N@@H+](C)CCCS 393477956 572689013 /nfs/dbraw/zinc/68/90/13/572689013.db2.gz GNNDNDYQHLCXNO-MRVPVSSYSA-N 1 1 177.313 1.273 10 30 ADEEMO C=C(Cl)C[NH2+]C1CN(CC)C1 307677944 572689075 /nfs/dbraw/zinc/68/90/75/572689075.db2.gz NEVZRVIUGMQLBB-UHFFFAOYSA-N 1 1 174.675 1.033 10 30 ADEEMO C#C[C@H](CC)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 307682614 572691245 /nfs/dbraw/zinc/69/12/45/572691245.db2.gz RTINYGPDCVHFLK-UTUOFQBUSA-N 1 1 192.306 1.082 10 30 ADEEMO C=C(C)[C@@H]1[C@H](CC)[C@@H](O)CC[N@H+]1C 306540354 572689189 /nfs/dbraw/zinc/68/91/89/572689189.db2.gz VZYJFHWEDYTSPW-OUAUKWLOSA-N 1 1 183.295 1.654 10 30 ADEEMO C#CCCCCC[C@H]([NH3+])C(=O)OC 116430503 572689232 /nfs/dbraw/zinc/68/92/32/572689232.db2.gz IEZCGEHKQIBBKK-VIFPVBQESA-N 1 1 183.251 1.070 10 30 ADEEMO C=C(C[N@H+]1CC[C@H](C)C1)OC 306508384 572689504 /nfs/dbraw/zinc/68/95/04/572689504.db2.gz ALOSINCOIOVVOE-QMMMGPOBSA-N 1 1 155.241 1.488 10 30 ADEEMO C#CC[N@@H+]1CC[C@@H](CC)[C@H]1C 306502144 572689710 /nfs/dbraw/zinc/68/97/10/572689710.db2.gz CYELRCHZAMXOLJ-NXEZZACHSA-N 1 1 151.253 1.740 10 30 ADEEMO COCC#CC[N@@H+](C)[C@@H]1CC1(C)C 306512725 572689806 /nfs/dbraw/zinc/68/98/06/572689806.db2.gz QJIUVQYTUQAVPF-SNVBAGLBSA-N 1 1 181.279 1.367 10 30 ADEEMO C=CC[NH2+]Cc1ncoc1C 307651583 572689852 /nfs/dbraw/zinc/68/98/52/572689852.db2.gz IUSNTFCJNNFOJO-UHFFFAOYSA-N 1 1 152.197 1.259 10 30 ADEEMO C#CC[C@@H]([NH3+])c1nnc(/C=C/C)o1 307607625 572689860 /nfs/dbraw/zinc/68/98/60/572689860.db2.gz BXEQIUJMBLBLKT-PTYLAXBQSA-N 1 1 177.207 1.126 10 30 ADEEMO C=CC[C@@H]1[C@@H](O)CC[C@@H]2CCCC[N@H+]21 306567863 572695209 /nfs/dbraw/zinc/69/52/09/572695209.db2.gz ILYBRXYPKMSBHW-TUAOUCFPSA-N 1 1 195.306 1.940 10 30 ADEEMO C#CCC[N@H+](C)[C@H]1CC[C@H](O)CC1 306516858 572690843 /nfs/dbraw/zinc/69/08/43/572690843.db2.gz ZIQRAGLMLWOSOM-XYPYZODXSA-N 1 1 181.279 1.245 10 30 ADEEMO C#C[C@@H](C)[N@H+](C)Cc1scnc1C 306518664 572691947 /nfs/dbraw/zinc/69/19/47/572691947.db2.gz CBMNXFHWGVUKHB-MRVPVSSYSA-N 1 1 194.303 1.905 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)Cc1scnc1C 306518664 572691953 /nfs/dbraw/zinc/69/19/53/572691953.db2.gz CBMNXFHWGVUKHB-MRVPVSSYSA-N 1 1 194.303 1.905 10 30 ADEEMO C=C[C@@H](C)[N@@H+]1CC[C@H]1COC 307679667 572691955 /nfs/dbraw/zinc/69/19/55/572691955.db2.gz RVVCCQOHNXUNGD-BDAKNGLRSA-N 1 1 155.241 1.282 10 30 ADEEMO C=C(CN)C[N@@H+]1CC[C@@H](C)[C@H]1C 306535463 572692056 /nfs/dbraw/zinc/69/20/56/572692056.db2.gz GFDMGGPCCCDOGU-NXEZZACHSA-N 1 1 168.284 1.232 10 30 ADEEMO C=C(COC)[C@H]([NH3+])C(C)(F)F 307658856 572691988 /nfs/dbraw/zinc/69/19/88/572691988.db2.gz SPSWCMRUXAYHQN-LURJTMIESA-N 1 1 165.183 1.172 10 30 ADEEMO C=C(CN)C[N@H+]1CC[C@@H](C)[C@H]1C 306535463 572692052 /nfs/dbraw/zinc/69/20/52/572692052.db2.gz GFDMGGPCCCDOGU-NXEZZACHSA-N 1 1 168.284 1.232 10 30 ADEEMO C=C(C)CC[N@@H+]1CC[C@H](O)C[C@H]1C 306529238 572692231 /nfs/dbraw/zinc/69/22/31/572692231.db2.gz FJIUFHFGIYZSEQ-MNOVXSKESA-N 1 1 183.295 1.798 10 30 ADEEMO C#CC[N@H+]1C[C@H](CC)O[C@H](C)C1 306530779 572692250 /nfs/dbraw/zinc/69/22/50/572692250.db2.gz HLQNUQNONCKCIN-ZJUUUORDSA-N 1 1 167.252 1.119 10 30 ADEEMO C#CC[N@@H+]1C[C@H](CC)O[C@H](C)C1 306530779 572692253 /nfs/dbraw/zinc/69/22/53/572692253.db2.gz HLQNUQNONCKCIN-ZJUUUORDSA-N 1 1 167.252 1.119 10 30 ADEEMO C=C(C[NH3+])CN1CCC[C@@H]2CCC[C@H]21 299965182 572692508 /nfs/dbraw/zinc/69/25/08/572692508.db2.gz JCUKOOQWUCZALP-NWDGAFQWSA-N 1 1 194.322 1.766 10 30 ADEEMO C=C(CN)C[N@@H+]1C[C@H](C)C[C@H](C)[C@@H]1C 299966407 572692520 /nfs/dbraw/zinc/69/25/20/572692520.db2.gz QOQAVTHIDFKEHL-USWWRNFRSA-N 1 1 196.338 1.868 10 30 ADEEMO C=C(CN)C[N@H+]1C[C@H](C)C[C@H](C)[C@@H]1C 299966407 572692525 /nfs/dbraw/zinc/69/25/25/572692525.db2.gz QOQAVTHIDFKEHL-USWWRNFRSA-N 1 1 196.338 1.868 10 30 ADEEMO C#CCCC[N@@H+]1C[C@H](C)[C@H]1C 306527247 572692536 /nfs/dbraw/zinc/69/25/36/572692536.db2.gz WURKQSXDGGQSFH-VHSXEESVSA-N 1 1 151.253 1.740 10 30 ADEEMO C=C(CN)C[N@H+]1CC[C@@H](C)C[C@H]1C 299966966 572692549 /nfs/dbraw/zinc/69/25/49/572692549.db2.gz UIXQPSAQRWBHLW-MWLCHTKSSA-N 1 1 182.311 1.622 10 30 ADEEMO C=C(CN)C[N@@H+]1CC[C@@H](C)C[C@H]1C 299966966 572692553 /nfs/dbraw/zinc/69/25/53/572692553.db2.gz UIXQPSAQRWBHLW-MWLCHTKSSA-N 1 1 182.311 1.622 10 30 ADEEMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H](N)C1 238413214 572694145 /nfs/dbraw/zinc/69/41/45/572694145.db2.gz YRRLQZGRHZYEOW-GHMZBOCLSA-N 1 1 182.311 1.764 10 30 ADEEMO C=C(CN)C[N@@H+]1C[C@H](C)CC[C@H]1C 299964227 572693755 /nfs/dbraw/zinc/69/37/55/572693755.db2.gz CKNLDWAHHKAEFI-MWLCHTKSSA-N 1 1 182.311 1.622 10 30 ADEEMO C=C(CN)C[N@H+]1C[C@H](C)CC[C@H]1C 299964227 572693759 /nfs/dbraw/zinc/69/37/59/572693759.db2.gz CKNLDWAHHKAEFI-MWLCHTKSSA-N 1 1 182.311 1.622 10 30 ADEEMO C=CCC[C@@H](C)N1CCC[C@@H]([NH3+])C1 238413214 572694147 /nfs/dbraw/zinc/69/41/47/572694147.db2.gz YRRLQZGRHZYEOW-GHMZBOCLSA-N 1 1 182.311 1.764 10 30 ADEEMO C=CCO[C@@H]1CC[N@H+](CC)C1 307670639 572693799 /nfs/dbraw/zinc/69/37/99/572693799.db2.gz QSNGRKJSBUVWRM-SECBINFHSA-N 1 1 155.241 1.283 10 30 ADEEMO C#C[C@H](C)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C 307682393 572693913 /nfs/dbraw/zinc/69/39/13/572693913.db2.gz RLDCGPCXOGNJES-JBLDHEPKSA-N 1 1 192.306 1.080 10 30 ADEEMO C#C[C@H](C)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C 307682393 572693915 /nfs/dbraw/zinc/69/39/15/572693915.db2.gz RLDCGPCXOGNJES-JBLDHEPKSA-N 1 1 192.306 1.080 10 30 ADEEMO C=C(C[NH2+]C)CN(C)CCC1CCC1 688688061 572694021 /nfs/dbraw/zinc/69/40/21/572694021.db2.gz LPSVPCOTFURAQZ-UHFFFAOYSA-N 1 1 196.338 1.884 10 30 ADEEMO C=C(CN)C[N@H+]1CC[C@H](C)C[C@H]1C 299966964 572694152 /nfs/dbraw/zinc/69/41/52/572694152.db2.gz UIXQPSAQRWBHLW-GXSJLCMTSA-N 1 1 182.311 1.622 10 30 ADEEMO C=C(CN)C[N@@H+]1CC[C@H](C)C[C@H]1C 299966964 572694158 /nfs/dbraw/zinc/69/41/58/572694158.db2.gz UIXQPSAQRWBHLW-GXSJLCMTSA-N 1 1 182.311 1.622 10 30 ADEEMO C=C(CN)C[N@@H+]1C[C@H](C)C[C@@H](C)[C@H]1C 299966409 572694264 /nfs/dbraw/zinc/69/42/64/572694264.db2.gz QOQAVTHIDFKEHL-YUSALJHKSA-N 1 1 196.338 1.868 10 30 ADEEMO C=C(CN)C[N@H+]1C[C@H](C)C[C@@H](C)[C@H]1C 299966409 572694268 /nfs/dbraw/zinc/69/42/68/572694268.db2.gz QOQAVTHIDFKEHL-YUSALJHKSA-N 1 1 196.338 1.868 10 30 ADEEMO C#CC[N@@H+]1CC[C@H](CC)[C@@H]1C 306502145 572694297 /nfs/dbraw/zinc/69/42/97/572694297.db2.gz CYELRCHZAMXOLJ-UWVGGRQHSA-N 1 1 151.253 1.740 10 30 ADEEMO C=CC[N@@H+]1CCCC[C@@H](CO)C1 306585860 572694310 /nfs/dbraw/zinc/69/43/10/572694310.db2.gz KJCPRZYZVOMSSG-SNVBAGLBSA-N 1 1 169.268 1.267 10 30 ADEEMO C=C(CN)C[N@H+]1CC[C@H](C)[C@H]1C 306535465 572694371 /nfs/dbraw/zinc/69/43/71/572694371.db2.gz GFDMGGPCCCDOGU-VHSXEESVSA-N 1 1 168.284 1.232 10 30 ADEEMO C=C(CN)C[N@@H+]1CC[C@H](C)[C@H]1C 306535465 572694377 /nfs/dbraw/zinc/69/43/77/572694377.db2.gz GFDMGGPCCCDOGU-VHSXEESVSA-N 1 1 168.284 1.232 10 30 ADEEMO C=C(CN)C[N@@H+]1C[C@@H](C)CC[C@H]1C 299964226 572694510 /nfs/dbraw/zinc/69/45/10/572694510.db2.gz CKNLDWAHHKAEFI-GXSJLCMTSA-N 1 1 182.311 1.622 10 30 ADEEMO C=C(CN)C[N@H+]1C[C@@H](C)CC[C@H]1C 299964226 572694514 /nfs/dbraw/zinc/69/45/14/572694514.db2.gz CKNLDWAHHKAEFI-GXSJLCMTSA-N 1 1 182.311 1.622 10 30 ADEEMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](N)C1 238413403 572694652 /nfs/dbraw/zinc/69/46/52/572694652.db2.gz WBORFAMJNZSOFZ-NXEZZACHSA-N 1 1 168.284 1.374 10 30 ADEEMO C#C[C@H](C)[N@H+](C)Cc1scnc1C 306518667 572694677 /nfs/dbraw/zinc/69/46/77/572694677.db2.gz CBMNXFHWGVUKHB-QMMMGPOBSA-N 1 1 194.303 1.905 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)Cc1scnc1C 306518667 572694680 /nfs/dbraw/zinc/69/46/80/572694680.db2.gz CBMNXFHWGVUKHB-QMMMGPOBSA-N 1 1 194.303 1.905 10 30 ADEEMO CC#CC[NH2+][C@H](C)c1cc(C)n(C)n1 306515217 572694731 /nfs/dbraw/zinc/69/47/31/572694731.db2.gz VUIPEWVSCNIQFB-SNVBAGLBSA-N 1 1 191.278 1.402 10 30 ADEEMO C=C(C[NH3+])CN1CCC[C@H]2CCC[C@H]21 299965184 572694969 /nfs/dbraw/zinc/69/49/69/572694969.db2.gz JCUKOOQWUCZALP-VXGBXAGGSA-N 1 1 194.322 1.766 10 30 ADEEMO C=CCC[C@]1(O)CC[N@@H+](C)[C@H](C)C1 307647764 572695136 /nfs/dbraw/zinc/69/51/36/572695136.db2.gz FPSUAYSQRRIKJD-MNOVXSKESA-N 1 1 183.295 1.798 10 30 ADEEMO C=C(CC)C[N@@H+]1CC[C@H](N)[C@H]1C 306531709 572695267 /nfs/dbraw/zinc/69/52/67/572695267.db2.gz IHSAQNFHNXKQIR-ZJUUUORDSA-N 1 1 168.284 1.374 10 30 ADEEMO C=C(CC)C[N@H+]1CC[C@H](N)[C@H]1C 306531709 572695270 /nfs/dbraw/zinc/69/52/70/572695270.db2.gz IHSAQNFHNXKQIR-ZJUUUORDSA-N 1 1 168.284 1.374 10 30 ADEEMO C#CCCC[N@@H+]1CC[C@H]1CC 307691732 572695307 /nfs/dbraw/zinc/69/53/07/572695307.db2.gz QBUSUIHEAHVZGU-SNVBAGLBSA-N 1 1 151.253 1.884 10 30 ADEEMO C#CCN(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 306512731 572695359 /nfs/dbraw/zinc/69/53/59/572695359.db2.gz QJNRQBINFXHVLP-MNOVXSKESA-N 1 1 180.295 1.034 10 30 ADEEMO C#CC[N@@H+](C)[C@H]1CCN(C)[C@H](C)C1 306512731 572695364 /nfs/dbraw/zinc/69/53/64/572695364.db2.gz QJNRQBINFXHVLP-MNOVXSKESA-N 1 1 180.295 1.034 10 30 ADEEMO C#CC[N@H+](C)[C@H]1CCN(C)[C@H](C)C1 306512731 572695369 /nfs/dbraw/zinc/69/53/69/572695369.db2.gz QJNRQBINFXHVLP-MNOVXSKESA-N 1 1 180.295 1.034 10 30 ADEEMO C=C(CN)C[N@@H+]1C[C@H](C)C[C@H](C)[C@H]1C 299966405 572695428 /nfs/dbraw/zinc/69/54/28/572695428.db2.gz QOQAVTHIDFKEHL-ADEWGFFLSA-N 1 1 196.338 1.868 10 30 ADEEMO C=C(CN)C[N@H+]1C[C@H](C)C[C@H](C)[C@H]1C 299966405 572695433 /nfs/dbraw/zinc/69/54/33/572695433.db2.gz QOQAVTHIDFKEHL-ADEWGFFLSA-N 1 1 196.338 1.868 10 30 ADEEMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H]1CN 238413255 572695446 /nfs/dbraw/zinc/69/54/46/572695446.db2.gz XDKGXKMVFCCCKU-GHMZBOCLSA-N 1 1 182.311 1.764 10 30 ADEEMO C=C(CN)C[N@@H+]1C[C@H](C)C[C@H]1C 299964180 572695693 /nfs/dbraw/zinc/69/56/93/572695693.db2.gz AXHCWUVHUYFYAC-PSASIEDQSA-N 1 1 168.284 1.232 10 30 ADEEMO C=C(CN)C[N@H+]1C[C@H](C)C[C@H]1C 299964180 572695698 /nfs/dbraw/zinc/69/56/98/572695698.db2.gz AXHCWUVHUYFYAC-PSASIEDQSA-N 1 1 168.284 1.232 10 30 ADEEMO C=CCC[C@@H](C)[N@H+]1CCNC[C@@H]1C 238413294 572696217 /nfs/dbraw/zinc/69/62/17/572696217.db2.gz NWLJYRXTIZLLQF-MNOVXSKESA-N 1 1 182.311 1.635 10 30 ADEEMO C=CCC[C@@H](C)N1CC[NH2+]C[C@@H]1C 238413294 572696222 /nfs/dbraw/zinc/69/62/22/572696222.db2.gz NWLJYRXTIZLLQF-MNOVXSKESA-N 1 1 182.311 1.635 10 30 ADEEMO C=C(Cl)C[N@@H+]1CCC[C@@H](O)[C@@H]1C 307610465 572696299 /nfs/dbraw/zinc/69/62/99/572696299.db2.gz INXYBCMGGMRHQU-DTWKUNHWSA-N 1 1 189.686 1.584 10 30 ADEEMO C=CCC[C@@H](C)N1CC[NH2+]CC1 238413275 572696355 /nfs/dbraw/zinc/69/63/55/572696355.db2.gz SKKHLRAIPPXHRL-SNVBAGLBSA-N 1 1 168.284 1.246 10 30 ADEEMO C=CCC[C@@]1(O)CC[N@@H+](C)[C@H](C)C1 307647762 572696366 /nfs/dbraw/zinc/69/63/66/572696366.db2.gz FPSUAYSQRRIKJD-GHMZBOCLSA-N 1 1 183.295 1.798 10 30 ADEEMO C=CCC[C@@H](C)[N@H+]1CCCNCC1 238413192 572696419 /nfs/dbraw/zinc/69/64/19/572696419.db2.gz RSGFDFSWJUWFSQ-LLVKDONJSA-N 1 1 182.311 1.636 10 30 ADEEMO C=CCC[C@@H](C)N1CCC[NH2+]CC1 238413192 572696422 /nfs/dbraw/zinc/69/64/22/572696422.db2.gz RSGFDFSWJUWFSQ-LLVKDONJSA-N 1 1 182.311 1.636 10 30 ADEEMO C=C(CC)CN1CC[NH2+]C[C@H](C)C1 307600737 572696544 /nfs/dbraw/zinc/69/65/44/572696544.db2.gz RJGUALRWDJVZEP-NSHDSACASA-N 1 1 182.311 1.494 10 30 ADEEMO C=C(CN)C[N@@H+]1C[C@@H](C)C[C@H]1C 299964181 572696561 /nfs/dbraw/zinc/69/65/61/572696561.db2.gz AXHCWUVHUYFYAC-WCBMZHEXSA-N 1 1 168.284 1.232 10 30 ADEEMO C=C(CN)C[N@H+]1C[C@@H](C)C[C@H]1C 299964181 572696564 /nfs/dbraw/zinc/69/65/64/572696564.db2.gz AXHCWUVHUYFYAC-WCBMZHEXSA-N 1 1 168.284 1.232 10 30 ADEEMO C#CC[N@@H+]1C[C@H](C)O[C@H](CC)C1 306530778 572696634 /nfs/dbraw/zinc/69/66/34/572696634.db2.gz HLQNUQNONCKCIN-VHSXEESVSA-N 1 1 167.252 1.119 10 30 ADEEMO C#CC[N@H+]1C[C@H](C)O[C@H](CC)C1 306530778 572696636 /nfs/dbraw/zinc/69/66/36/572696636.db2.gz HLQNUQNONCKCIN-VHSXEESVSA-N 1 1 167.252 1.119 10 30 ADEEMO C#C[C@]1(O)CC[N@H+]([C@H](C)CCC)C1 306511663 572696676 /nfs/dbraw/zinc/69/66/76/572696676.db2.gz NSVMJSZFAHRZIO-MNOVXSKESA-N 1 1 181.279 1.245 10 30 ADEEMO C[C@H]1CC[N@@H+](CCCS)C[C@H]1O 299980088 572697189 /nfs/dbraw/zinc/69/71/89/572697189.db2.gz XEBHUVNBHRESLC-DTWKUNHWSA-N 1 1 189.324 1.009 10 30 ADEEMO C=C[C@H](C)[N@H+]1C[C@H](C)[C@@H](N(C)C)C1 306564232 572697345 /nfs/dbraw/zinc/69/73/45/572697345.db2.gz WPQHNSDQDIWURC-DCAQKATOSA-N 1 1 182.311 1.443 10 30 ADEEMO C=C[C@H](C)N1C[C@H](C)[C@@H]([NH+](C)C)C1 306564232 572697350 /nfs/dbraw/zinc/69/73/50/572697350.db2.gz WPQHNSDQDIWURC-DCAQKATOSA-N 1 1 182.311 1.443 10 30 ADEEMO C#CCCNc1cc(N)nc(CC)[nH+]1 307655416 572697385 /nfs/dbraw/zinc/69/73/85/572697385.db2.gz WYZCSNUVTXWGCP-UHFFFAOYSA-N 1 1 190.250 1.056 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)C[C@@H]1CC[C@H](C)O1 307658257 572697418 /nfs/dbraw/zinc/69/74/18/572697418.db2.gz CCKJFAWXNJILIP-DCAQKATOSA-N 1 1 181.279 1.507 10 30 ADEEMO C#CC[NH2+]Cc1ccc(F)cc1C#N 306526777 572697423 /nfs/dbraw/zinc/69/74/23/572697423.db2.gz VOUXPNYPIVDDBK-UHFFFAOYSA-N 1 1 188.205 1.420 10 30 ADEEMO C#CCC[NH2+][C@H](C)C(C)(F)F 307664959 572697531 /nfs/dbraw/zinc/69/75/31/572697531.db2.gz ZPBVTDBCVUXSIO-SSDOTTSWSA-N 1 1 161.195 1.643 10 30 ADEEMO C=C[C@H](CO)Nc1cc[nH+]cc1Cl 307675497 572697662 /nfs/dbraw/zinc/69/76/62/572697662.db2.gz FUDBBHNIRLUXBK-SSDOTTSWSA-N 1 1 198.653 1.694 10 30 ADEEMO C=CC[N@H+](C)C[C@H](C)C=C 306525325 572697810 /nfs/dbraw/zinc/69/78/10/572697810.db2.gz PTMJGZVQPTYNCW-SECBINFHSA-N 1 1 139.242 1.926 10 30 ADEEMO C#CC[N@H+](CC)C1CCC1 306574932 572697930 /nfs/dbraw/zinc/69/79/30/572697930.db2.gz SCGJAOASJJNHNM-UHFFFAOYSA-N 1 1 137.226 1.494 10 30 ADEEMO C#CC[N@@H+]1CC[C@H](CC)[C@H]1C 306502147 572697971 /nfs/dbraw/zinc/69/79/71/572697971.db2.gz CYELRCHZAMXOLJ-ZJUUUORDSA-N 1 1 151.253 1.740 10 30 ADEEMO C#CCC[N@H+](C)[C@H]1CC1(C)C 307609180 572698013 /nfs/dbraw/zinc/69/80/13/572698013.db2.gz DPBHQZQEDVGYNF-VIFPVBQESA-N 1 1 151.253 1.740 10 30 ADEEMO CC#CC[N@@H+](C)[C@H]1CCCSC1 307698351 572698100 /nfs/dbraw/zinc/69/81/00/572698100.db2.gz MWGZUBRGZLFLHV-JTQLQIEISA-N 1 1 183.320 1.837 10 30 ADEEMO C=C[C@H](C)[N@H+]1C[C@@H](C)[C@@H](N(C)C)C1 306564235 572698477 /nfs/dbraw/zinc/69/84/77/572698477.db2.gz WPQHNSDQDIWURC-VWYCJHECSA-N 1 1 182.311 1.443 10 30 ADEEMO C=C[C@H](C)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 306564235 572698479 /nfs/dbraw/zinc/69/84/79/572698479.db2.gz WPQHNSDQDIWURC-VWYCJHECSA-N 1 1 182.311 1.443 10 30 ADEEMO C#CCCC[N@@H+]1C[C@@H](C)[C@@H]1C 306527248 572698515 /nfs/dbraw/zinc/69/85/15/572698515.db2.gz WURKQSXDGGQSFH-ZJUUUORDSA-N 1 1 151.253 1.740 10 30 ADEEMO C#CC[N@@H+]1CC[C@H](CC(F)(F)F)C1 306500494 572698626 /nfs/dbraw/zinc/69/86/26/572698626.db2.gz YJEQLRIKUOXLGN-MRVPVSSYSA-N 1 1 191.196 1.894 10 30 ADEEMO C[C@@H]1[C@@H](C#N)[C@@H](O)C(C)(C)[N@H+]1C1CC1 253484965 572698971 /nfs/dbraw/zinc/69/89/71/572698971.db2.gz LATBFOLJNTVWEX-SZEHBUNVSA-N 1 1 194.278 1.132 10 30 ADEEMO C=C(C)C[N@H+](C)[C@@H](C)[C@H](C)O 307622614 572699010 /nfs/dbraw/zinc/69/90/10/572699010.db2.gz CTOFMSRPZLXICS-IUCAKERBSA-N 1 1 157.257 1.264 10 30 ADEEMO C#C[C@]1(O)CC[N@H+]([C@@H](C)CCC)C1 306511664 572699081 /nfs/dbraw/zinc/69/90/81/572699081.db2.gz NSVMJSZFAHRZIO-QWRGUYRKSA-N 1 1 181.279 1.245 10 30 ADEEMO C[C@@H]1CC[N@@H+](CCCS)C[C@H]1O 299980089 572699089 /nfs/dbraw/zinc/69/90/89/572699089.db2.gz XEBHUVNBHRESLC-RKDXNWHRSA-N 1 1 189.324 1.009 10 30 ADEEMO C#CC[N@H+]1CCCC2(CCC2)C1 306511918 572699165 /nfs/dbraw/zinc/69/91/65/572699165.db2.gz OFQPWCSCBFVBIA-UHFFFAOYSA-N 1 1 163.264 1.886 10 30 ADEEMO C#CC[NH+]1CCC(OC(F)F)CC1 306570147 572699257 /nfs/dbraw/zinc/69/92/57/572699257.db2.gz MOKCGGCBEODZER-UHFFFAOYSA-N 1 1 189.205 1.323 10 30 ADEEMO C=CCC[C@H](C)N1CC[NH2+]CC1 238420237 572700355 /nfs/dbraw/zinc/70/03/55/572700355.db2.gz SKKHLRAIPPXHRL-JTQLQIEISA-N 1 1 168.284 1.246 10 30 ADEEMO C[C@@H]1[C@H](C#N)[C@@H](O)C(C)(C)[N@H+]1C1CC1 253484964 572699361 /nfs/dbraw/zinc/69/93/61/572699361.db2.gz LATBFOLJNTVWEX-FKTZTGRPSA-N 1 1 194.278 1.132 10 30 ADEEMO C#CC[N@@H+]1CC[C@@H](CC)[C@@H]1C 306502146 572699455 /nfs/dbraw/zinc/69/94/55/572699455.db2.gz CYELRCHZAMXOLJ-VHSXEESVSA-N 1 1 151.253 1.740 10 30 ADEEMO C#C[C@@]1(O)CC[N@H+]([C@@H](C)CCC)C1 306511665 572699671 /nfs/dbraw/zinc/69/96/71/572699671.db2.gz NSVMJSZFAHRZIO-WDEREUQCSA-N 1 1 181.279 1.245 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CC[C@@](C)(CO)C1 307676223 572699676 /nfs/dbraw/zinc/69/96/76/572699676.db2.gz GXPIEUCBQMVDQM-NXEZZACHSA-N 1 1 169.268 1.265 10 30 ADEEMO C=C(C)C[N@H+](C)[C@H](C)[C@@H](C)O 307622616 572700139 /nfs/dbraw/zinc/70/01/39/572700139.db2.gz CTOFMSRPZLXICS-RKDXNWHRSA-N 1 1 157.257 1.264 10 30 ADEEMO C=CCC[C@H](C)[N@H+]1CCC[C@@H]1CN 238420220 572700422 /nfs/dbraw/zinc/70/04/22/572700422.db2.gz XDKGXKMVFCCCKU-WDEREUQCSA-N 1 1 182.311 1.764 10 30 ADEEMO C=CCC[C@H](C)[N@H+]1CCCNCC1 238420167 572700600 /nfs/dbraw/zinc/70/06/00/572700600.db2.gz RSGFDFSWJUWFSQ-NSHDSACASA-N 1 1 182.311 1.636 10 30 ADEEMO C=CCC[C@H](C)N1CCC[NH2+]CC1 238420167 572700604 /nfs/dbraw/zinc/70/06/04/572700604.db2.gz RSGFDFSWJUWFSQ-NSHDSACASA-N 1 1 182.311 1.636 10 30 ADEEMO C=CCC[C@H](C)[N@H+]1CCNC[C@@H]1C 238420257 572701875 /nfs/dbraw/zinc/70/18/75/572701875.db2.gz NWLJYRXTIZLLQF-QWRGUYRKSA-N 1 1 182.311 1.635 10 30 ADEEMO C=CCC[C@H](C)[N@H+]1CC[C@@H](N)C1 238420347 572701407 /nfs/dbraw/zinc/70/14/07/572701407.db2.gz WBORFAMJNZSOFZ-VHSXEESVSA-N 1 1 168.284 1.374 10 30 ADEEMO C=C(C)C[N@H+](C)[C@@H](C)[C@@H](C)O 307622612 572701575 /nfs/dbraw/zinc/70/15/75/572701575.db2.gz CTOFMSRPZLXICS-DTWKUNHWSA-N 1 1 157.257 1.264 10 30 ADEEMO C[C@@H]1C[C@@H](O)C[N@H+]1CC#CC(C)(C)C 306596358 572701828 /nfs/dbraw/zinc/70/18/28/572701828.db2.gz VBPDZHVGDPAJSN-GHMZBOCLSA-N 1 1 195.306 1.491 10 30 ADEEMO C=CCC[C@H](C)N1CC[NH2+]C[C@@H]1C 238420257 572701878 /nfs/dbraw/zinc/70/18/78/572701878.db2.gz NWLJYRXTIZLLQF-QWRGUYRKSA-N 1 1 182.311 1.635 10 30 ADEEMO C=CC[C@@H]([NH3+])c1nnc([C@@H](C)S)o1 238421186 572702021 /nfs/dbraw/zinc/70/20/21/572702021.db2.gz DAWWRNIMAKSIOD-PHDIDXHHSA-N 1 1 199.279 1.636 10 30 ADEEMO C#CCC[NH2+][C@@H](C)C(C)(F)F 307664960 572702061 /nfs/dbraw/zinc/70/20/61/572702061.db2.gz ZPBVTDBCVUXSIO-ZETCQYMHSA-N 1 1 161.195 1.643 10 30 ADEEMO C#CCC[N@@H+](C)Cc1nc(C)cs1 308095032 572704847 /nfs/dbraw/zinc/70/48/47/572704847.db2.gz LLDBUCHCJQVAKQ-UHFFFAOYSA-N 1 1 194.303 1.907 10 30 ADEEMO C#CCC[N@H+](C)Cc1nc(C)cs1 308095032 572704850 /nfs/dbraw/zinc/70/48/50/572704850.db2.gz LLDBUCHCJQVAKQ-UHFFFAOYSA-N 1 1 194.303 1.907 10 30 ADEEMO C#CCC[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 306694150 572703265 /nfs/dbraw/zinc/70/32/65/572703265.db2.gz ULOXOURFUFGUSU-SRVKXCTJSA-N 1 1 193.290 1.103 10 30 ADEEMO C#CCC[N@H+]1C[C@H]2C[C@H](O)CC[C@H]2C1 306694138 572703631 /nfs/dbraw/zinc/70/36/31/572703631.db2.gz ULOXOURFUFGUSU-QJPTWQEYSA-N 1 1 193.290 1.103 10 30 ADEEMO C#CCC[N@@H+]1CCSCC1(C)C 306625017 572704544 /nfs/dbraw/zinc/70/45/44/572704544.db2.gz GMMKFTRSOWCHCR-UHFFFAOYSA-N 1 1 183.320 1.837 10 30 ADEEMO C=C1CCC[N@@H+](Cc2cnc(N)o2)C1 306634938 572704598 /nfs/dbraw/zinc/70/45/98/572704598.db2.gz XSFAHQLCHORAHD-UHFFFAOYSA-N 1 1 193.250 1.409 10 30 ADEEMO C=C1CCC[N@H+](Cc2cnc(N)o2)C1 306634938 572704602 /nfs/dbraw/zinc/70/46/02/572704602.db2.gz XSFAHQLCHORAHD-UHFFFAOYSA-N 1 1 193.250 1.409 10 30 ADEEMO C=C[C@@H](C)N1CC[N@H+](CC)[C@H](C)C1 306615366 572704786 /nfs/dbraw/zinc/70/47/86/572704786.db2.gz NKBDPSGPGAUVQX-GHMZBOCLSA-N 1 1 182.311 1.587 10 30 ADEEMO C=C[C@@H](C)[N@@H+]1CCN(CC)[C@H](C)C1 306615366 572704789 /nfs/dbraw/zinc/70/47/89/572704789.db2.gz NKBDPSGPGAUVQX-GHMZBOCLSA-N 1 1 182.311 1.587 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCN(CC)[C@H](C)C1 306615366 572704792 /nfs/dbraw/zinc/70/47/92/572704792.db2.gz NKBDPSGPGAUVQX-GHMZBOCLSA-N 1 1 182.311 1.587 10 30 ADEEMO CCC[N@@H+](CC)CC[C@@H]1CO1 307874975 572705806 /nfs/dbraw/zinc/70/58/06/572705806.db2.gz NJSJYSAKVBYASK-SECBINFHSA-N 1 1 157.257 1.507 10 30 ADEEMO C=CC[NH2+][C@@]1(CN)CCC(C)(C)C1 87772602 572705825 /nfs/dbraw/zinc/70/58/25/572705825.db2.gz PSALUWQOQYYJAY-NSHDSACASA-N 1 1 182.311 1.670 10 30 ADEEMO CCC[N@@H+](CC)CC[C@H]1CO1 307874976 572705834 /nfs/dbraw/zinc/70/58/34/572705834.db2.gz NJSJYSAKVBYASK-VIFPVBQESA-N 1 1 157.257 1.507 10 30 ADEEMO C[C@H](CCO)/[NH+]=C/c1ccccc1 238433013 572706072 /nfs/dbraw/zinc/70/60/72/572706072.db2.gz ROSUTAHFPSTJPJ-QSARLWQPSA-N 1 1 177.247 1.876 10 30 ADEEMO CC#CC[NH2+]Cc1ncc(C)s1 307621343 572706387 /nfs/dbraw/zinc/70/63/87/572706387.db2.gz BXGUCFJGEWSJBV-UHFFFAOYSA-N 1 1 180.276 1.564 10 30 ADEEMO C#C[C@H](C)[N@H+](C)C/C=C/C 306682787 572706331 /nfs/dbraw/zinc/70/63/31/572706331.db2.gz SJEJWNKOUDKVFI-IWGCBNPKSA-N 1 1 137.226 1.516 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCC[C@@H](OC)C1 306643632 572706363 /nfs/dbraw/zinc/70/63/63/572706363.db2.gz XHBGYUSUEBGEGY-NXEZZACHSA-N 1 1 169.268 1.672 10 30 ADEEMO C=CC[NH2+][C@]1(CN)CCC(C)(C)C1 87772601 572707002 /nfs/dbraw/zinc/70/70/02/572707002.db2.gz PSALUWQOQYYJAY-LLVKDONJSA-N 1 1 182.311 1.670 10 30 ADEEMO C#CCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]1C2 306681249 572707513 /nfs/dbraw/zinc/70/75/13/572707513.db2.gz NLVDTXOXMSUGAE-RYUDHWBXSA-N 1 1 192.306 1.084 10 30 ADEEMO C#CCC[NH2+][C@H]1CCN2CCC[C@H]1C2 306681249 572707515 /nfs/dbraw/zinc/70/75/15/572707515.db2.gz NLVDTXOXMSUGAE-RYUDHWBXSA-N 1 1 192.306 1.084 10 30 ADEEMO C#C[C@@H](C)[N@H+](C)C/C=C/C 306682788 572707882 /nfs/dbraw/zinc/70/78/82/572707882.db2.gz SJEJWNKOUDKVFI-VPIOIWJLSA-N 1 1 137.226 1.516 10 30 ADEEMO CO[C@H]1CC[N@@H+](CCCS)C1 234800736 572707922 /nfs/dbraw/zinc/70/79/22/572707922.db2.gz AHLJBJZXMIQOGL-QMMMGPOBSA-N 1 1 175.297 1.027 10 30 ADEEMO C#CC[C@H](C)[NH2+][C@@H]1CC[C@H](C)NC1 306696924 572708150 /nfs/dbraw/zinc/70/81/50/572708150.db2.gz YLLQSUUZBKEQKD-GARJFASQSA-N 1 1 180.295 1.128 10 30 ADEEMO C=CCC[N@H+]1CCC[C@H](C=O)C1 70595669 572709015 /nfs/dbraw/zinc/70/90/15/572709015.db2.gz DLCHFIABDGLZSH-JTQLQIEISA-N 1 1 167.252 1.473 10 30 ADEEMO C=CCSc1nc[nH+]c(NN)c1C 306605007 572709095 /nfs/dbraw/zinc/70/90/95/572709095.db2.gz OWTFNBVTUWOLAY-UHFFFAOYSA-N 1 1 196.279 1.349 10 30 ADEEMO C=CC[N@H+](C)C(C)(C)C[C@H](C)O 238425877 572709127 /nfs/dbraw/zinc/70/91/27/572709127.db2.gz UIKUHMQNIPBURC-VIFPVBQESA-N 1 1 171.284 1.654 10 30 ADEEMO C=CCN(C)c1[nH+]c(C)ccc1CO 688710833 572712018 /nfs/dbraw/zinc/71/20/18/572712018.db2.gz OEVVHYROGKSZFM-UHFFFAOYSA-N 1 1 192.262 1.505 10 30 ADEEMO C=CCC[N@@H+](C)CCC#N 70592528 572709512 /nfs/dbraw/zinc/70/95/12/572709512.db2.gz CKJMBMHZRBYCOQ-UHFFFAOYSA-N 1 1 138.214 1.408 10 30 ADEEMO C=CCC[N@H+](C)CCC#N 70592528 572709515 /nfs/dbraw/zinc/70/95/15/572709515.db2.gz CKJMBMHZRBYCOQ-UHFFFAOYSA-N 1 1 138.214 1.408 10 30 ADEEMO C=CC[N@H+](C)C(C)(C)C[C@@H](C)O 238427550 572709884 /nfs/dbraw/zinc/70/98/84/572709884.db2.gz UIKUHMQNIPBURC-SECBINFHSA-N 1 1 171.284 1.654 10 30 ADEEMO C#CCC[N@@H+](C)CCCC=C 307879867 572711414 /nfs/dbraw/zinc/71/14/14/572711414.db2.gz YMIKTBALBYIXDC-UHFFFAOYSA-N 1 1 151.253 1.908 10 30 ADEEMO C=CC[C@H](C)[NH2+]CC(C)(C)N 307880395 572711863 /nfs/dbraw/zinc/71/18/63/572711863.db2.gz QFNSGUYEDULONM-QMMMGPOBSA-N 1 1 156.273 1.278 10 30 ADEEMO C=CCC[C@]1(O)CCC[N@H+](C)C1 306627954 572712399 /nfs/dbraw/zinc/71/23/99/572712399.db2.gz ZUUMXCOTJSPXAR-JTQLQIEISA-N 1 1 169.268 1.409 10 30 ADEEMO C#CC[C@H]([NH3+])c1nnc(/C=C\C)o1 308097813 572712576 /nfs/dbraw/zinc/71/25/76/572712576.db2.gz BXEQIUJMBLBLKT-NGAMADIESA-N 1 1 177.207 1.126 10 30 ADEEMO C=CC[C@@H](C)[NH2+]CC(C)(C)N 307880393 572712622 /nfs/dbraw/zinc/71/26/22/572712622.db2.gz QFNSGUYEDULONM-MRVPVSSYSA-N 1 1 156.273 1.278 10 30 ADEEMO CC[C@H]1CCC[N@@H+](C/C(N)=N/O)CC1 70613686 572713064 /nfs/dbraw/zinc/71/30/64/572713064.db2.gz CNCNSAJYGULOHN-VIFPVBQESA-N 1 1 199.298 1.245 10 30 ADEEMO C=CC[C@H]([NH3+])c1nnc(/C=C\C)o1 308097793 572714178 /nfs/dbraw/zinc/71/41/78/572714178.db2.gz BVNBOVMUUBCPLY-NGAMADIESA-N 1 1 179.223 1.679 10 30 ADEEMO CC[C@@H]1CCC[N@@H+](C/C(N)=N/O)CC1 70613685 572714303 /nfs/dbraw/zinc/71/43/03/572714303.db2.gz CNCNSAJYGULOHN-SECBINFHSA-N 1 1 199.298 1.245 10 30 ADEEMO CC(C)[N@@H+](C)CCC[C@@H]1CO1 307877242 572715094 /nfs/dbraw/zinc/71/50/94/572715094.db2.gz OOUBZTCGCFJZMG-SECBINFHSA-N 1 1 157.257 1.506 10 30 ADEEMO C=CCC[N@H+](C)[C@@H](CC)CN 307878365 572715689 /nfs/dbraw/zinc/71/56/89/572715689.db2.gz PJUWWJKUISAVQG-VIFPVBQESA-N 1 1 156.273 1.232 10 30 ADEEMO C=CCCN(C)[C@@H](CC)C[NH3+] 307878365 572715693 /nfs/dbraw/zinc/71/56/93/572715693.db2.gz PJUWWJKUISAVQG-VIFPVBQESA-N 1 1 156.273 1.232 10 30 ADEEMO CC#CCC[NH2+][C@H]1CC[C@@H](C)NC1 306693223 572716236 /nfs/dbraw/zinc/71/62/36/572716236.db2.gz SSTMIHSGUPJDEA-MNOVXSKESA-N 1 1 180.295 1.130 10 30 ADEEMO C=C[C@@H](C)N1CC[N@H+](CC)[C@@H](C)C1 306615367 572716270 /nfs/dbraw/zinc/71/62/70/572716270.db2.gz NKBDPSGPGAUVQX-MNOVXSKESA-N 1 1 182.311 1.587 10 30 ADEEMO C=C[C@@H](C)[N@@H+]1CCN(CC)[C@@H](C)C1 306615367 572716272 /nfs/dbraw/zinc/71/62/72/572716272.db2.gz NKBDPSGPGAUVQX-MNOVXSKESA-N 1 1 182.311 1.587 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCN(CC)[C@@H](C)C1 306615367 572716274 /nfs/dbraw/zinc/71/62/74/572716274.db2.gz NKBDPSGPGAUVQX-MNOVXSKESA-N 1 1 182.311 1.587 10 30 ADEEMO CC(C)OCC[N@@H+](C)CCCC#N 87782628 572716416 /nfs/dbraw/zinc/71/64/16/572716416.db2.gz OKLLQTXQVGGVSD-UHFFFAOYSA-N 1 1 184.283 1.647 10 30 ADEEMO CC(=[NH+]N)c1cc(Cl)ccc1N 307878454 572716543 /nfs/dbraw/zinc/71/65/43/572716543.db2.gz VPJLQNFZAHRIII-UHFFFAOYSA-N 1 1 183.642 1.605 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCC[C@H](OC)C1 306643635 572716678 /nfs/dbraw/zinc/71/66/78/572716678.db2.gz XHBGYUSUEBGEGY-ZJUUUORDSA-N 1 1 169.268 1.672 10 30 ADEEMO CC(C)[N@@H+](C)CCC[C@H]1CO1 307877243 572717019 /nfs/dbraw/zinc/71/70/19/572717019.db2.gz OOUBZTCGCFJZMG-VIFPVBQESA-N 1 1 157.257 1.506 10 30 ADEEMO C=CCC[N@H+](C)[C@H](CC)CN 307878363 572717080 /nfs/dbraw/zinc/71/70/80/572717080.db2.gz PJUWWJKUISAVQG-SECBINFHSA-N 1 1 156.273 1.232 10 30 ADEEMO C=CCCN(C)[C@H](CC)C[NH3+] 307878363 572717084 /nfs/dbraw/zinc/71/70/84/572717084.db2.gz PJUWWJKUISAVQG-SECBINFHSA-N 1 1 156.273 1.232 10 30 ADEEMO C#CC[N@@H+](CC1CCC1)C1CC1 308099064 572717152 /nfs/dbraw/zinc/71/71/52/572717152.db2.gz FNGLTAHTPCAHNI-UHFFFAOYSA-N 1 1 163.264 1.884 10 30 ADEEMO CO[C@H](C)C[N@@H+](C)C[C@H](C)CS 308099114 572717196 /nfs/dbraw/zinc/71/71/96/572717196.db2.gz FRPMTZHFBWHSNJ-DTWKUNHWSA-N 1 1 191.340 1.519 10 30 ADEEMO C=CC[N@H+]1C[C@H]2[C@@H](F)CC[C@H]2C1 306647028 572717783 /nfs/dbraw/zinc/71/77/83/572717783.db2.gz BYVVYIZDZNFUQO-AEJSXWLSSA-N 1 1 169.243 1.852 10 30 ADEEMO C[N@@H+](CC[C@@H]1CO1)CC1CC1 307881833 572718000 /nfs/dbraw/zinc/71/80/00/572718000.db2.gz RGHHRDNQCGCMIU-SECBINFHSA-N 1 1 155.241 1.117 10 30 ADEEMO C#CCC[N@H+]1C[C@H]2C[C@@H](O)CC[C@H]2C1 306694156 572718185 /nfs/dbraw/zinc/71/81/85/572718185.db2.gz ULOXOURFUFGUSU-TUAOUCFPSA-N 1 1 193.290 1.103 10 30 ADEEMO C=CC[N@@H+]1C[C@@H]2CC[C@@H](F)[C@H]2C1 306647036 572718198 /nfs/dbraw/zinc/71/81/98/572718198.db2.gz BYVVYIZDZNFUQO-LPEHRKFASA-N 1 1 169.243 1.852 10 30 ADEEMO CO[C@H](C)C[N@@H+](C)CCCCS 308099094 572718265 /nfs/dbraw/zinc/71/82/65/572718265.db2.gz FQAHGDWRFRGGMW-SECBINFHSA-N 1 1 191.340 1.663 10 30 ADEEMO C[N@@H+](CC[C@H]1CO1)CC1CC1 307881836 572718320 /nfs/dbraw/zinc/71/83/20/572718320.db2.gz RGHHRDNQCGCMIU-VIFPVBQESA-N 1 1 155.241 1.117 10 30 ADEEMO CO[C@@H](C)C[N@@H+](C)C[C@H](C)CS 308099115 572718463 /nfs/dbraw/zinc/71/84/63/572718463.db2.gz FRPMTZHFBWHSNJ-IUCAKERBSA-N 1 1 191.340 1.519 10 30 ADEEMO CSCC[N@@H+](C)CC[C@@H]1CO1 307882512 572718650 /nfs/dbraw/zinc/71/86/50/572718650.db2.gz RNKAVQMESPLEMG-MRVPVSSYSA-N 1 1 175.297 1.070 10 30 ADEEMO C=C[C@@H](C)[N@H+]1C[C@@H](O)C(C)(C)C1 306693935 572720094 /nfs/dbraw/zinc/72/00/94/572720094.db2.gz RXVIHHGIGFYWHW-RKDXNWHRSA-N 1 1 169.268 1.264 10 30 ADEEMO CC#CCC[C@]1(O)CC[N@@H+](C)C[C@H]1C 306615247 572719210 /nfs/dbraw/zinc/71/92/10/572719210.db2.gz BFSNNZWRRQFDKS-NEPJUHHUSA-N 1 1 195.306 1.493 10 30 ADEEMO CO[C@@H](C)C[N@@H+](C)C[C@@H](C)CS 308099113 572719241 /nfs/dbraw/zinc/71/92/41/572719241.db2.gz FRPMTZHFBWHSNJ-BDAKNGLRSA-N 1 1 191.340 1.519 10 30 ADEEMO C#CCCN1CC[N@H+](CC)C[C@H]1C 306685690 572719331 /nfs/dbraw/zinc/71/93/31/572719331.db2.gz CSXGEJATAPCPFL-LLVKDONJSA-N 1 1 180.295 1.036 10 30 ADEEMO C#CCC[N@H+]1CCN(CC)C[C@H]1C 306685690 572719333 /nfs/dbraw/zinc/71/93/33/572719333.db2.gz CSXGEJATAPCPFL-LLVKDONJSA-N 1 1 180.295 1.036 10 30 ADEEMO CO[C@@H](C)C[N@@H+](C)CCCCS 308099095 572719375 /nfs/dbraw/zinc/71/93/75/572719375.db2.gz FQAHGDWRFRGGMW-VIFPVBQESA-N 1 1 191.340 1.663 10 30 ADEEMO C#CCCC[N@@H+]1C[C@H]2[C@@H](C1)C2(C)C 306648492 572719458 /nfs/dbraw/zinc/71/94/58/572719458.db2.gz CNNOQAGYQGSWSV-PHIMTYICSA-N 1 1 177.291 1.988 10 30 ADEEMO CSCC[N@@H+](C)CC[C@H]1CO1 307882513 572719487 /nfs/dbraw/zinc/71/94/87/572719487.db2.gz RNKAVQMESPLEMG-QMMMGPOBSA-N 1 1 175.297 1.070 10 30 ADEEMO CO[C@H](C)C[N@@H+](C)C[C@@H](C)CS 308099116 572719495 /nfs/dbraw/zinc/71/94/95/572719495.db2.gz FRPMTZHFBWHSNJ-RKDXNWHRSA-N 1 1 191.340 1.519 10 30 ADEEMO C=C[C@H](C)[N@H+]1C[C@H](O)C(C)(C)C1 306693934 572719598 /nfs/dbraw/zinc/71/95/98/572719598.db2.gz RXVIHHGIGFYWHW-IUCAKERBSA-N 1 1 169.268 1.264 10 30 ADEEMO C=CC[N@H+]1C[C@@H]2CCC[C@H](C1)C2O 306613823 572720631 /nfs/dbraw/zinc/72/06/31/572720631.db2.gz OFAPMOOTXWBUDT-ZACCUICWSA-N 1 1 181.279 1.265 10 30 ADEEMO N#C[C@H]1CCC[N@@H+]1C1CCCC1 70662405 572721142 /nfs/dbraw/zinc/72/11/42/572721142.db2.gz NGLCSTPXLKBBHL-SNVBAGLBSA-N 1 1 164.252 1.917 10 30 ADEEMO N#C[C@H]1CCC[N@H+]1C1CCCC1 70662405 572721146 /nfs/dbraw/zinc/72/11/46/572721146.db2.gz NGLCSTPXLKBBHL-SNVBAGLBSA-N 1 1 164.252 1.917 10 30 ADEEMO C=C1CCN(c2[nH+]cccc2N)CC1 306657443 572721819 /nfs/dbraw/zinc/72/18/19/572721819.db2.gz JVFDTOHPJICBOE-UHFFFAOYSA-N 1 1 189.262 1.820 10 30 ADEEMO CCC[N@H+](C)CCNCCCC#N 688688652 572722911 /nfs/dbraw/zinc/72/29/11/572722911.db2.gz OLCMSXRCSBEXGB-UHFFFAOYSA-N 1 1 183.299 1.222 10 30 ADEEMO N/C(=N/O)[C@H]1CCC[N@H+]1C1CCCC1 70661521 572722984 /nfs/dbraw/zinc/72/29/84/572722984.db2.gz CCCPEKNFCZCVHH-SECBINFHSA-N 1 1 197.282 1.140 10 30 ADEEMO N/C(=N/O)[C@@H]1CCC[N@H+]1C1CCCC1 70661522 572723224 /nfs/dbraw/zinc/72/32/24/572723224.db2.gz CCCPEKNFCZCVHH-VIFPVBQESA-N 1 1 197.282 1.140 10 30 ADEEMO C#CC[N@H+](C)[C@@H]1C[C@H](C)O[C@H](C)C1 306624525 572723252 /nfs/dbraw/zinc/72/32/52/572723252.db2.gz CFYNUBDXTIODDF-URLYPYJESA-N 1 1 181.279 1.507 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCC[C@H](OC)C1 306643633 572723624 /nfs/dbraw/zinc/72/36/24/572723624.db2.gz XHBGYUSUEBGEGY-UWVGGRQHSA-N 1 1 169.268 1.672 10 30 ADEEMO C=C1CN2CCC(CC2)[N@@H+]1CC 306661332 572723842 /nfs/dbraw/zinc/72/38/42/572723842.db2.gz RSZYISWRYAOZND-UHFFFAOYSA-N 1 1 166.268 1.300 10 30 ADEEMO C=C1C[NH+]2CCC(CC2)N1CC 306661332 572723848 /nfs/dbraw/zinc/72/38/48/572723848.db2.gz RSZYISWRYAOZND-UHFFFAOYSA-N 1 1 166.268 1.300 10 30 ADEEMO CC#CC[N@H+]1C[C@@H](C)[C@@H]1C 306623440 572723964 /nfs/dbraw/zinc/72/39/64/572723964.db2.gz DRQTYJNEKFGYNK-BDAKNGLRSA-N 1 1 137.226 1.350 10 30 ADEEMO C=C[C@H](C)N1CC[N@H+](CC)[C@@H](C)C1 306615368 572724228 /nfs/dbraw/zinc/72/42/28/572724228.db2.gz NKBDPSGPGAUVQX-QWRGUYRKSA-N 1 1 182.311 1.587 10 30 ADEEMO C=C[C@H](C)[N@@H+]1CCN(CC)[C@@H](C)C1 306615368 572724231 /nfs/dbraw/zinc/72/42/31/572724231.db2.gz NKBDPSGPGAUVQX-QWRGUYRKSA-N 1 1 182.311 1.587 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCN(CC)[C@@H](C)C1 306615368 572724234 /nfs/dbraw/zinc/72/42/34/572724234.db2.gz NKBDPSGPGAUVQX-QWRGUYRKSA-N 1 1 182.311 1.587 10 30 ADEEMO C=CC[N@@H+]1C[C@@H](C)C(=NO)C[C@H]1C 254393864 572724596 /nfs/dbraw/zinc/72/45/96/572724596.db2.gz VTPHNNZBUNFVAD-RKDXNWHRSA-N 1 1 182.267 1.733 10 30 ADEEMO CC#CC[N@@H+](C)[C@@H]1CC1(C)C 306620701 572724877 /nfs/dbraw/zinc/72/48/77/572724877.db2.gz XOFUVGBWKMSEFU-SECBINFHSA-N 1 1 151.253 1.740 10 30 ADEEMO C=CC[N@@H+]1C[C@H](C)C(=NO)C[C@@H]1C 254393863 572726127 /nfs/dbraw/zinc/72/61/27/572726127.db2.gz VTPHNNZBUNFVAD-IUCAKERBSA-N 1 1 182.267 1.733 10 30 ADEEMO C=CC[N@@H+]1C[C@H](C)C(=NO)C[C@H]1C 254393862 572726148 /nfs/dbraw/zinc/72/61/48/572726148.db2.gz VTPHNNZBUNFVAD-DTWKUNHWSA-N 1 1 182.267 1.733 10 30 ADEEMO C=CC[N@@H+]1C[C@@H](C)C(=NO)C[C@@H]1C 254393861 572726325 /nfs/dbraw/zinc/72/63/25/572726325.db2.gz VTPHNNZBUNFVAD-BDAKNGLRSA-N 1 1 182.267 1.733 10 30 ADEEMO C#CCN[C@@H](C)[C@H]1CCC[N@@H+](CC)C1 222414017 572726423 /nfs/dbraw/zinc/72/64/23/572726423.db2.gz FTDMMHYVABVTQO-RYUDHWBXSA-N 1 1 194.322 1.330 10 30 ADEEMO C#CCN[C@@H](C)[C@H]1CCC[N@H+](CC)C1 222414017 572726426 /nfs/dbraw/zinc/72/64/26/572726426.db2.gz FTDMMHYVABVTQO-RYUDHWBXSA-N 1 1 194.322 1.330 10 30 ADEEMO CN1CC(=N[O-])c2ccccc2C1 308105315 572726513 /nfs/dbraw/zinc/72/65/13/572726513.db2.gz JGNBHKOTOPQVCY-UHFFFAOYSA-N 1 1 176.219 1.310 10 30 ADEEMO CN1CC(=NO)c2ccccc2C1 308105315 572726518 /nfs/dbraw/zinc/72/65/18/572726518.db2.gz JGNBHKOTOPQVCY-UHFFFAOYSA-N 1 1 176.219 1.310 10 30 ADEEMO CC#CCC[C@@]1(O)CC[N@@H+](C)C[C@@H]1C 306615248 572727691 /nfs/dbraw/zinc/72/76/91/572727691.db2.gz BFSNNZWRRQFDKS-NWDGAFQWSA-N 1 1 195.306 1.493 10 30 ADEEMO C#CCCC[N@H+]1C[C@@H](C)C[C@H](O)C1 306691970 572728035 /nfs/dbraw/zinc/72/80/35/572728035.db2.gz QVVQPMRZBOPLMK-QWRGUYRKSA-N 1 1 181.279 1.103 10 30 ADEEMO C=C[C@H](C)[N@H+]1C[C@@H](C)C[C@@H](O)C1 306621326 572728196 /nfs/dbraw/zinc/72/81/96/572728196.db2.gz VQXVZWGHBKAONM-LPEHRKFASA-N 1 1 169.268 1.264 10 30 ADEEMO C=C(CC)C[N@H+](C)CC 306688169 572728264 /nfs/dbraw/zinc/72/82/64/572728264.db2.gz IXROBGDOAMFJSU-UHFFFAOYSA-N 1 1 127.231 1.904 10 30 ADEEMO C#CCCC[N@H+]1C[C@@H](C)C[C@@H](O)C1 306691971 572728976 /nfs/dbraw/zinc/72/89/76/572728976.db2.gz QVVQPMRZBOPLMK-WDEREUQCSA-N 1 1 181.279 1.103 10 30 ADEEMO C#C[C@@H](C)[NH2+][C@H](C)c1ccncn1 307627989 572729352 /nfs/dbraw/zinc/72/93/52/572729352.db2.gz JWVKCUOFOHEORG-RKDXNWHRSA-N 1 1 175.235 1.149 10 30 ADEEMO C#C[C@@H](C)[NH2+][C@@H](C)c1ccncn1 307627986 572729856 /nfs/dbraw/zinc/72/98/56/572729856.db2.gz JWVKCUOFOHEORG-BDAKNGLRSA-N 1 1 175.235 1.149 10 30 ADEEMO C#CCC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 306694144 572730678 /nfs/dbraw/zinc/73/06/78/572730678.db2.gz ULOXOURFUFGUSU-SDDRHHMPSA-N 1 1 193.290 1.103 10 30 ADEEMO C#C[C@H](C)[NH2+][C@H](C)c1ccncn1 307627987 572730820 /nfs/dbraw/zinc/73/08/20/572730820.db2.gz JWVKCUOFOHEORG-DTWKUNHWSA-N 1 1 175.235 1.149 10 30 ADEEMO C=CC[N@@H+]1C[C@@H]2CC[C@H](F)[C@H]2C1 306647031 572730948 /nfs/dbraw/zinc/73/09/48/572730948.db2.gz BYVVYIZDZNFUQO-GUBZILKMSA-N 1 1 169.243 1.852 10 30 ADEEMO C#C[C@H](C)[NH2+][C@@H](C)c1ccncn1 307627988 572730960 /nfs/dbraw/zinc/73/09/60/572730960.db2.gz JWVKCUOFOHEORG-IUCAKERBSA-N 1 1 175.235 1.149 10 30 ADEEMO O=CC[N@@H+](CC1CC1)C1CC1 70736709 572731824 /nfs/dbraw/zinc/73/18/24/572731824.db2.gz MDMJPPWEEMISKZ-UHFFFAOYSA-N 1 1 153.225 1.060 10 30 ADEEMO C[N@H+]1CCCC[C@@H]1CCS 196661757 572732618 /nfs/dbraw/zinc/73/26/18/572732618.db2.gz ODXHBJQWNZORHA-MRVPVSSYSA-N 1 1 159.298 1.791 10 30 ADEEMO C#CCC(=O)Cn1c[nH+]c(C)c1C 306660303 572733451 /nfs/dbraw/zinc/73/34/51/572733451.db2.gz QENNTKXVCRLRAI-UHFFFAOYSA-N 1 1 176.219 1.092 10 30 ADEEMO C=C1CCN(C[C@@H]2CCC[NH2+]C2)CC1 306660820 572733477 /nfs/dbraw/zinc/73/34/77/572733477.db2.gz NJAUUOCUEGTACH-GFCCVEGCSA-N 1 1 194.322 1.638 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCC[C@@H](OC)C1 306643634 572734454 /nfs/dbraw/zinc/73/44/54/572734454.db2.gz XHBGYUSUEBGEGY-VHSXEESVSA-N 1 1 169.268 1.672 10 30 ADEEMO CC#CC[N@H+]1CC[C@H]2OCC[C@H]2C1 306646504 572734030 /nfs/dbraw/zinc/73/40/30/572734030.db2.gz CUDNYFOCTGLVSR-WDEREUQCSA-N 1 1 179.263 1.121 10 30 ADEEMO C#CCCC[N@H+]1C[C@H](C)C[C@@H](O)C1 306691969 572734954 /nfs/dbraw/zinc/73/49/54/572734954.db2.gz QVVQPMRZBOPLMK-GHMZBOCLSA-N 1 1 181.279 1.103 10 30 ADEEMO C#C[C@@H](C)[N@H+](C)CCSCC 307893735 572735110 /nfs/dbraw/zinc/73/51/10/572735110.db2.gz GXTKGVJNHDEWIR-SECBINFHSA-N 1 1 171.309 1.693 10 30 ADEEMO Cc1[nH]c(C)c([C@@H]([NH3+])CC#N)c1CO 713743703 572737352 /nfs/dbraw/zinc/73/73/52/572737352.db2.gz QWWDDUUCJVAEJA-VIFPVBQESA-N 1 1 193.250 1.037 10 30 ADEEMO C#CCCN1CC[N@H+](CC)C[C@@H]1C 306685692 572737517 /nfs/dbraw/zinc/73/75/17/572737517.db2.gz CSXGEJATAPCPFL-NSHDSACASA-N 1 1 180.295 1.036 10 30 ADEEMO C#CCC[N@H+]1CCN(CC)C[C@@H]1C 306685692 572737521 /nfs/dbraw/zinc/73/75/21/572737521.db2.gz CSXGEJATAPCPFL-NSHDSACASA-N 1 1 180.295 1.036 10 30 ADEEMO C#CCC[N@@H+]1CCN(CC)C[C@@H]1C 306685692 572737523 /nfs/dbraw/zinc/73/75/23/572737523.db2.gz CSXGEJATAPCPFL-NSHDSACASA-N 1 1 180.295 1.036 10 30 ADEEMO C#CC[C@H](C)[NH2+][C@@H]1CC[C@@H](C)NC1 306696925 572737844 /nfs/dbraw/zinc/73/78/44/572737844.db2.gz YLLQSUUZBKEQKD-OUAUKWLOSA-N 1 1 180.295 1.128 10 30 ADEEMO Cc1[nH]c(C)c([C@H]([NH3+])CC#N)c1CO 713743702 572738179 /nfs/dbraw/zinc/73/81/79/572738179.db2.gz QWWDDUUCJVAEJA-SECBINFHSA-N 1 1 193.250 1.037 10 30 ADEEMO CO[C@H]1CC[N@@H+]([C@@H](C)CC#N)C1 234812513 572739151 /nfs/dbraw/zinc/73/91/51/572739151.db2.gz DHLSRDZUVAAYPJ-IUCAKERBSA-N 1 1 168.240 1.009 10 30 ADEEMO CO[C@H]1CC[N@H+]([C@@H](C)CC#N)C1 234812513 572739153 /nfs/dbraw/zinc/73/91/53/572739153.db2.gz DHLSRDZUVAAYPJ-IUCAKERBSA-N 1 1 168.240 1.009 10 30 ADEEMO CC[C@@H](CC#N)[N@H+]1CCC[C@H]1CO 85397176 572739506 /nfs/dbraw/zinc/73/95/06/572739506.db2.gz RJSXQLDOUGQBEA-UWVGGRQHSA-N 1 1 182.267 1.135 10 30 ADEEMO C=C1CCC[N@@H+]([C@@H](CC)C(=O)OC)C1 688689263 572739540 /nfs/dbraw/zinc/73/95/40/572739540.db2.gz GLNOIVRWESRAMM-JTQLQIEISA-N 1 1 197.278 1.590 10 30 ADEEMO C=C1CCC[N@H+]([C@@H](CC)C(=O)OC)C1 688689263 572739545 /nfs/dbraw/zinc/73/95/45/572739545.db2.gz GLNOIVRWESRAMM-JTQLQIEISA-N 1 1 197.278 1.590 10 30 ADEEMO C=C1CCC[N@@H+]([C@H](CC)C(=O)OC)C1 688689264 572739657 /nfs/dbraw/zinc/73/96/57/572739657.db2.gz GLNOIVRWESRAMM-SNVBAGLBSA-N 1 1 197.278 1.590 10 30 ADEEMO C=C1CCC[N@H+]([C@H](CC)C(=O)OC)C1 688689264 572739659 /nfs/dbraw/zinc/73/96/59/572739659.db2.gz GLNOIVRWESRAMM-SNVBAGLBSA-N 1 1 197.278 1.590 10 30 ADEEMO C=C(C)CC[N@@H+]1CCC[C@@H](N)[C@@H]1C 306797584 572739957 /nfs/dbraw/zinc/73/99/57/572739957.db2.gz KTJKJBIJPAKHEE-WDEREUQCSA-N 1 1 182.311 1.764 10 30 ADEEMO C=C(C)CCN1CCC[C@@H]([NH3+])[C@@H]1C 306797584 572739962 /nfs/dbraw/zinc/73/99/62/572739962.db2.gz KTJKJBIJPAKHEE-WDEREUQCSA-N 1 1 182.311 1.764 10 30 ADEEMO C=CCCC[N@H+](C)CC1OCCO1 306600625 572740284 /nfs/dbraw/zinc/74/02/84/572740284.db2.gz ZYUHHCMHDAWKEQ-UHFFFAOYSA-N 1 1 185.267 1.257 10 30 ADEEMO CC[C@H](CC#N)[N@H+]1CCC[C@H]1CO 85397177 572741352 /nfs/dbraw/zinc/74/13/52/572741352.db2.gz RJSXQLDOUGQBEA-ZJUUUORDSA-N 1 1 182.267 1.135 10 30 ADEEMO C[N@H+]1CCC(=NO)[C@@H]2CCCC[C@@H]21 254870345 572742822 /nfs/dbraw/zinc/74/28/22/572742822.db2.gz VLFXIXTWZUYHAF-WPRPVWTQSA-N 1 1 182.267 1.711 10 30 ADEEMO C=CCN(CC=C)[C@@H]1CC[C@@H]1C[NH3+] 87921359 572741782 /nfs/dbraw/zinc/74/17/82/572741782.db2.gz ONBDTEMIUVNKDG-GHMZBOCLSA-N 1 1 180.295 1.398 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)Cc1cc[nH]c1 306755627 572742418 /nfs/dbraw/zinc/74/24/18/572742418.db2.gz LDJCAOJVQPHTLF-VIFPVBQESA-N 1 1 162.236 1.468 10 30 ADEEMO C=C[C@@H](C)[N@H+]1C[C@@H](C)C[C@@H](O)C1 306621325 572742752 /nfs/dbraw/zinc/74/27/52/572742752.db2.gz VQXVZWGHBKAONM-IVZWLZJFSA-N 1 1 169.268 1.264 10 30 ADEEMO C#CCCC[N@@H+]1CCC[C@@H]([NH3+])[C@H]1C 306769505 572742792 /nfs/dbraw/zinc/74/27/92/572742792.db2.gz AJHQVFNCLWTRKG-GHMZBOCLSA-N 1 1 180.295 1.211 10 30 ADEEMO C#CCCCN1CCC[C@@H]([NH3+])[C@H]1C 306769505 572742797 /nfs/dbraw/zinc/74/27/97/572742797.db2.gz AJHQVFNCLWTRKG-GHMZBOCLSA-N 1 1 180.295 1.211 10 30 ADEEMO C#CCCC[N@H+]1CCC[C@@H](N)[C@H]1C 306769505 572742800 /nfs/dbraw/zinc/74/28/00/572742800.db2.gz AJHQVFNCLWTRKG-GHMZBOCLSA-N 1 1 180.295 1.211 10 30 ADEEMO C#CCCC[N@@H+]1CCC[C@@H](N)[C@H]1C 306769505 572742804 /nfs/dbraw/zinc/74/28/04/572742804.db2.gz AJHQVFNCLWTRKG-GHMZBOCLSA-N 1 1 180.295 1.211 10 30 ADEEMO C=CCN(CC=C)[C@H]1CC[C@@H]1C[NH3+] 87921360 572742996 /nfs/dbraw/zinc/74/29/96/572742996.db2.gz ONBDTEMIUVNKDG-MNOVXSKESA-N 1 1 180.295 1.398 10 30 ADEEMO C=CCN(CC=C)[C@@H]1CC[C@H]1C[NH3+] 87921361 572743101 /nfs/dbraw/zinc/74/31/01/572743101.db2.gz ONBDTEMIUVNKDG-WDEREUQCSA-N 1 1 180.295 1.398 10 30 ADEEMO C#CC[N@H+](C)[C@H]1C[C@H](C)O[C@H](C)C1 306624524 572743144 /nfs/dbraw/zinc/74/31/44/572743144.db2.gz CFYNUBDXTIODDF-JGPRNRPPSA-N 1 1 181.279 1.507 10 30 ADEEMO C[N@H+]1CCC(=NO)[C@H]2CCCC[C@@H]21 254870342 572743739 /nfs/dbraw/zinc/74/37/39/572743739.db2.gz VLFXIXTWZUYHAF-SCZZXKLOSA-N 1 1 182.267 1.711 10 30 ADEEMO N#Cc1c(F)ccc2c1[C@H]([NH3+])CO2 713744477 572743909 /nfs/dbraw/zinc/74/39/09/572743909.db2.gz UDBGYJFDFFCNED-SSDOTTSWSA-N 1 1 178.166 1.090 10 30 ADEEMO N#Cc1c(F)ccc2c1[C@@H]([NH3+])CO2 713744485 572744189 /nfs/dbraw/zinc/74/41/89/572744189.db2.gz UDBGYJFDFFCNED-ZETCQYMHSA-N 1 1 178.166 1.090 10 30 ADEEMO C[N@H+]1CCC(=NO)[C@H]2CCCC[C@H]21 254870340 572744446 /nfs/dbraw/zinc/74/44/46/572744446.db2.gz VLFXIXTWZUYHAF-PSASIEDQSA-N 1 1 182.267 1.711 10 30 ADEEMO C=CCN(CC=C)[C@H]1CC[C@H]1C[NH3+] 87921362 572744757 /nfs/dbraw/zinc/74/47/57/572744757.db2.gz ONBDTEMIUVNKDG-QWRGUYRKSA-N 1 1 180.295 1.398 10 30 ADEEMO C[N@H+]1CCC(=NO)[C@@H]2CCCC[C@H]21 254870343 572745076 /nfs/dbraw/zinc/74/50/76/572745076.db2.gz VLFXIXTWZUYHAF-WCBMZHEXSA-N 1 1 182.267 1.711 10 30 ADEEMO C[C@@H](C#N)C[NH+]1CCC([C@@H](C)O)CC1 235244475 572746451 /nfs/dbraw/zinc/74/64/51/572746451.db2.gz AIWXCBFRMLZPGZ-VHSXEESVSA-N 1 1 196.294 1.239 10 30 ADEEMO C=CC[N@@H+](CC)[C@H](C)CC#N 307902530 572746473 /nfs/dbraw/zinc/74/64/73/572746473.db2.gz ORRBSFWSPSMKOL-SECBINFHSA-N 1 1 152.241 1.796 10 30 ADEEMO C=CC[N@H+](CC)[C@H](C)CC#N 307902530 572746477 /nfs/dbraw/zinc/74/64/77/572746477.db2.gz ORRBSFWSPSMKOL-SECBINFHSA-N 1 1 152.241 1.796 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCCC[C@H](CO)C1 306787601 572746694 /nfs/dbraw/zinc/74/66/94/572746694.db2.gz MYJPXYXTKYTULP-QWRGUYRKSA-N 1 1 183.295 1.655 10 30 ADEEMO C#CC[N@H+]1CCC[C@@H](OC(F)F)C1 306765943 572747814 /nfs/dbraw/zinc/74/78/14/572747814.db2.gz AIBWCTJBFMMEMI-MRVPVSSYSA-N 1 1 189.205 1.323 10 30 ADEEMO C#CC[N@@H+]1CCC[C@@H](OC(F)F)C1 306765943 572747820 /nfs/dbraw/zinc/74/78/20/572747820.db2.gz AIBWCTJBFMMEMI-MRVPVSSYSA-N 1 1 189.205 1.323 10 30 ADEEMO CC(C)[N@@H+]1CCO[C@@H](CC#N)C1 70834763 572748417 /nfs/dbraw/zinc/74/84/17/572748417.db2.gz XIDPOSMGERIXCR-VIFPVBQESA-N 1 1 168.240 1.009 10 30 ADEEMO CC(C)[N@H+]1CCO[C@@H](CC#N)C1 70834763 572748420 /nfs/dbraw/zinc/74/84/20/572748420.db2.gz XIDPOSMGERIXCR-VIFPVBQESA-N 1 1 168.240 1.009 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CC[C@H](OC)C1 306701446 572748849 /nfs/dbraw/zinc/74/88/49/572748849.db2.gz ZCFMDLVDFSUKSG-BDAKNGLRSA-N 1 1 155.241 1.282 10 30 ADEEMO CC(C)[N@@H+]1CCO[C@H](CC#N)C1 70834760 572749371 /nfs/dbraw/zinc/74/93/71/572749371.db2.gz XIDPOSMGERIXCR-SECBINFHSA-N 1 1 168.240 1.009 10 30 ADEEMO CC(C)[N@H+]1CCO[C@H](CC#N)C1 70834760 572749373 /nfs/dbraw/zinc/74/93/73/572749373.db2.gz XIDPOSMGERIXCR-SECBINFHSA-N 1 1 168.240 1.009 10 30 ADEEMO C#CC[NH2+][C@@]1(CN)CC(C)(C)C[C@H]1C 235334429 572749600 /nfs/dbraw/zinc/74/96/00/572749600.db2.gz SFDISRQTUKFDDN-ZYHUDNBSSA-N 1 1 194.322 1.363 10 30 ADEEMO C[C@@H]1C[N@@H+](C)CCCN1CCCC#N 235336822 572750409 /nfs/dbraw/zinc/75/04/09/572750409.db2.gz SKHVUXFICOYXHZ-LLVKDONJSA-N 1 1 195.310 1.316 10 30 ADEEMO C[C@@H]1CN(C)CCC[N@@H+]1CCCC#N 235336822 572750416 /nfs/dbraw/zinc/75/04/16/572750416.db2.gz SKHVUXFICOYXHZ-LLVKDONJSA-N 1 1 195.310 1.316 10 30 ADEEMO C[C@@H]1CN(C)CCC[N@H+]1CCCC#N 235336822 572750419 /nfs/dbraw/zinc/75/04/19/572750419.db2.gz SKHVUXFICOYXHZ-LLVKDONJSA-N 1 1 195.310 1.316 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCOCC2(CC2)C1 306795389 572750735 /nfs/dbraw/zinc/75/07/35/572750735.db2.gz IQKXTHPMCJCLJR-SNVBAGLBSA-N 1 1 181.279 1.673 10 30 ADEEMO C=C(C)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C[NH3+] 306775803 572750868 /nfs/dbraw/zinc/75/08/68/572750868.db2.gz XGTFMFDXFMOCHU-SDDRHHMPSA-N 1 1 194.322 1.622 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCN(C)C[C@H]1C 306751031 572750967 /nfs/dbraw/zinc/75/09/67/572750967.db2.gz HDNPZMABPHJNRA-VHSXEESVSA-N 1 1 168.284 1.197 10 30 ADEEMO C=C[C@H](C)N1CC[N@H+](C)C[C@H]1C 306751031 572750972 /nfs/dbraw/zinc/75/09/72/572750972.db2.gz HDNPZMABPHJNRA-VHSXEESVSA-N 1 1 168.284 1.197 10 30 ADEEMO C=C1CCN([C@H]2CC[C@@H]2C[NH2+]C)CC1 306765202 572751281 /nfs/dbraw/zinc/75/12/81/572751281.db2.gz ZOUGRRUDFGIUBV-NEPJUHHUSA-N 1 1 194.322 1.636 10 30 ADEEMO C#CC[N@H+](CC)[C@@H]1CCSC1 306755748 572759937 /nfs/dbraw/zinc/75/99/37/572759937.db2.gz LKSHZUONDLPEDZ-SECBINFHSA-N 1 1 169.293 1.447 10 30 ADEEMO C=C[C@@H]([NH3+])c1cnc2cc[nH]cc1-2 713744714 572752881 /nfs/dbraw/zinc/75/28/81/572752881.db2.gz UNERZYHWLIJIMS-SECBINFHSA-N 1 1 173.219 1.749 10 30 ADEEMO C#CCCC[N@@H+]1CC[C@H](O)C[C@H]1C 306758484 572751792 /nfs/dbraw/zinc/75/17/92/572751792.db2.gz OLJGWOAVYBVQIK-MNOVXSKESA-N 1 1 181.279 1.245 10 30 ADEEMO C=C(C)CC[N@@H+]1CCC[C@H](N)[C@@H]1C 306797583 572751871 /nfs/dbraw/zinc/75/18/71/572751871.db2.gz KTJKJBIJPAKHEE-QWRGUYRKSA-N 1 1 182.311 1.764 10 30 ADEEMO C=C(C)CCN1CCC[C@H]([NH3+])[C@@H]1C 306797583 572751875 /nfs/dbraw/zinc/75/18/75/572751875.db2.gz KTJKJBIJPAKHEE-QWRGUYRKSA-N 1 1 182.311 1.764 10 30 ADEEMO C[C@@]([NH3+])(C#N)CCOCC1CCCC1 85489123 572752641 /nfs/dbraw/zinc/75/26/41/572752641.db2.gz ZTNVORHIJNOFSU-NSHDSACASA-N 1 1 196.294 1.824 10 30 ADEEMO C=C1C[N@@H+](CC)C[C@H]2CCCCN12 306770582 572752811 /nfs/dbraw/zinc/75/28/11/572752811.db2.gz BTZRQTMIVRDVLL-LLVKDONJSA-N 1 1 180.295 1.690 10 30 ADEEMO C=C1CN(CC)C[C@H]2CCCC[N@H+]12 306770582 572752815 /nfs/dbraw/zinc/75/28/15/572752815.db2.gz BTZRQTMIVRDVLL-LLVKDONJSA-N 1 1 180.295 1.690 10 30 ADEEMO C=C1CN(CC)C[C@H]2CCCC[N@@H+]12 306770582 572752820 /nfs/dbraw/zinc/75/28/20/572752820.db2.gz BTZRQTMIVRDVLL-LLVKDONJSA-N 1 1 180.295 1.690 10 30 ADEEMO C[C@]([NH3+])(C#N)CCOCC1CCCC1 85489120 572753191 /nfs/dbraw/zinc/75/31/91/572753191.db2.gz ZTNVORHIJNOFSU-LLVKDONJSA-N 1 1 196.294 1.824 10 30 ADEEMO C#CCCCN1CCC[C@@H]([NH3+])[C@@H]1C 306769511 572753536 /nfs/dbraw/zinc/75/35/36/572753536.db2.gz AJHQVFNCLWTRKG-WDEREUQCSA-N 1 1 180.295 1.211 10 30 ADEEMO C#CCCC[N@H+]1CCC[C@@H](N)[C@@H]1C 306769511 572753540 /nfs/dbraw/zinc/75/35/40/572753540.db2.gz AJHQVFNCLWTRKG-WDEREUQCSA-N 1 1 180.295 1.211 10 30 ADEEMO C#CCCC[N@@H+]1CCC[C@@H](N)[C@@H]1C 306769511 572753544 /nfs/dbraw/zinc/75/35/44/572753544.db2.gz AJHQVFNCLWTRKG-WDEREUQCSA-N 1 1 180.295 1.211 10 30 ADEEMO C=C[C@H]([NH3+])c1cnc2cc[nH]cc1-2 713744716 572754477 /nfs/dbraw/zinc/75/44/77/572754477.db2.gz UNERZYHWLIJIMS-VIFPVBQESA-N 1 1 173.219 1.749 10 30 ADEEMO C=C[C@@H](C)[N@@H+](C)CCCCO 307909980 572754505 /nfs/dbraw/zinc/75/45/05/572754505.db2.gz VPYJLMWOSMMMCU-SECBINFHSA-N 1 1 157.257 1.265 10 30 ADEEMO C=C(C)CC[N@H+]1CCO[C@H]2C[C@H]21 306765572 572755020 /nfs/dbraw/zinc/75/50/20/572755020.db2.gz LLSKSOYNMFYRJZ-ZJUUUORDSA-N 1 1 167.252 1.426 10 30 ADEEMO C=C[C@H](C)[N@@H+](C)CCCCO 307909981 572755283 /nfs/dbraw/zinc/75/52/83/572755283.db2.gz VPYJLMWOSMMMCU-VIFPVBQESA-N 1 1 157.257 1.265 10 30 ADEEMO C=C1C[N@@H+](CC)C[C@@H]2CCCCN12 306770587 572755340 /nfs/dbraw/zinc/75/53/40/572755340.db2.gz BTZRQTMIVRDVLL-NSHDSACASA-N 1 1 180.295 1.690 10 30 ADEEMO C=C1CN(CC)C[C@@H]2CCCC[N@H+]12 306770587 572755343 /nfs/dbraw/zinc/75/53/43/572755343.db2.gz BTZRQTMIVRDVLL-NSHDSACASA-N 1 1 180.295 1.690 10 30 ADEEMO C=C1CN(CC)C[C@@H]2CCCC[N@@H+]12 306770587 572755350 /nfs/dbraw/zinc/75/53/50/572755350.db2.gz BTZRQTMIVRDVLL-NSHDSACASA-N 1 1 180.295 1.690 10 30 ADEEMO CC[C@H](CC#N)[N@H+]1CC[C@H](C)[C@@H]1CO 299905561 572755724 /nfs/dbraw/zinc/75/57/24/572755724.db2.gz DKGVMEDUBOBJHR-AXFHLTTASA-N 1 1 196.294 1.381 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCCC[C@@H](CO)C1 306787598 572756276 /nfs/dbraw/zinc/75/62/76/572756276.db2.gz MYJPXYXTKYTULP-GHMZBOCLSA-N 1 1 183.295 1.655 10 30 ADEEMO C=CCSC[C@@H]([NH3+])c1nnc(C)o1 238522359 572756199 /nfs/dbraw/zinc/75/61/99/572756199.db2.gz AOTAXTQVTWXKCX-SSDOTTSWSA-N 1 1 199.279 1.297 10 30 ADEEMO CC[C@H](CC#N)[N@H+]1CC[C@H](C)[C@H]1CO 299905563 572756618 /nfs/dbraw/zinc/75/66/18/572756618.db2.gz DKGVMEDUBOBJHR-HBNTYKKESA-N 1 1 196.294 1.381 10 30 ADEEMO C#CCC[N@@H+]1C[C@@H](C)OCC1(C)C 306776984 572756952 /nfs/dbraw/zinc/75/69/52/572756952.db2.gz MFHZGMUFIYNGOO-SNVBAGLBSA-N 1 1 181.279 1.509 10 30 ADEEMO C#C[C@@H](C)[N@H+](C)[C@@H](C)CC 306706563 572757059 /nfs/dbraw/zinc/75/70/59/572757059.db2.gz IZKRLDAGDNHIFV-BDAKNGLRSA-N 1 1 139.242 1.738 10 30 ADEEMO C=CC(C)(C)C[N@@H+]1C[C@@H](C)NC[C@H]1C 306729796 572757214 /nfs/dbraw/zinc/75/72/14/572757214.db2.gz DERQVTBLCFDBKO-GHMZBOCLSA-N 1 1 196.338 1.881 10 30 ADEEMO C=CC(C)(C)CN1C[C@@H](C)[NH2+]C[C@H]1C 306729796 572757216 /nfs/dbraw/zinc/75/72/16/572757216.db2.gz DERQVTBLCFDBKO-GHMZBOCLSA-N 1 1 196.338 1.881 10 30 ADEEMO C#CCC[N@@H+]1C[C@H](C)OCC1(C)C 306776983 572757356 /nfs/dbraw/zinc/75/73/56/572757356.db2.gz MFHZGMUFIYNGOO-JTQLQIEISA-N 1 1 181.279 1.509 10 30 ADEEMO C=C1CN(C(C)=O)C[C@@H]2CCCC[N@@H+]12 306721786 572757554 /nfs/dbraw/zinc/75/75/54/572757554.db2.gz PFOJDSVSFXMEST-NSHDSACASA-N 1 1 194.278 1.217 10 30 ADEEMO C#C[C@@](C)(CC)Nc1cc(N)[nH+]cn1 306757532 572757817 /nfs/dbraw/zinc/75/78/17/572757817.db2.gz SOYCQPOBAWWWTP-JTQLQIEISA-N 1 1 190.250 1.273 10 30 ADEEMO C[C@H]1CCC[N@H+]1CCC[C@@H]1CO1 308116239 572758213 /nfs/dbraw/zinc/75/82/13/572758213.db2.gz MOGHJLLBCGDJIE-VHSXEESVSA-N 1 1 169.268 1.650 10 30 ADEEMO C[C@H]1CCC[N@H+]1CCC[C@H]1CO1 308116238 572758429 /nfs/dbraw/zinc/75/84/29/572758429.db2.gz MOGHJLLBCGDJIE-UWVGGRQHSA-N 1 1 169.268 1.650 10 30 ADEEMO C#CCCC[N@@H+]1CC[C@@H](O)C[C@H]1C 306758481 572759356 /nfs/dbraw/zinc/75/93/56/572759356.db2.gz OLJGWOAVYBVQIK-GHMZBOCLSA-N 1 1 181.279 1.245 10 30 ADEEMO C=C(C)[C@H]1CC[C@@](C)([NH3+])[C@H](N)C1 306776418 572759603 /nfs/dbraw/zinc/75/96/03/572759603.db2.gz YSRYTSMGSHUDCE-IVZWLZJFSA-N 1 1 168.284 1.407 10 30 ADEEMO C[C@@H]1CCC[N@H+]1CCC[C@H]1CO1 308116240 572760038 /nfs/dbraw/zinc/76/00/38/572760038.db2.gz MOGHJLLBCGDJIE-ZJUUUORDSA-N 1 1 169.268 1.650 10 30 ADEEMO C[C@@H]1CCC[N@H+]1CCC[C@@H]1CO1 308116236 572760970 /nfs/dbraw/zinc/76/09/70/572760970.db2.gz MOGHJLLBCGDJIE-NXEZZACHSA-N 1 1 169.268 1.650 10 30 ADEEMO C=C(C)C[N@H+]1C[C@@H]2CN(C)C[C@@H]2C1 306738903 572761002 /nfs/dbraw/zinc/76/10/02/572761002.db2.gz CBVZPKONKQLBLM-PHIMTYICSA-N 1 1 180.295 1.056 10 30 ADEEMO C=C(C)C[N@@H+]1C[C@@H]2CN(C)C[C@@H]2C1 306738903 572761006 /nfs/dbraw/zinc/76/10/06/572761006.db2.gz CBVZPKONKQLBLM-PHIMTYICSA-N 1 1 180.295 1.056 10 30 ADEEMO C=C(C)CN1C[C@H]2C[N@@H+](C)C[C@H]2C1 306738903 572761010 /nfs/dbraw/zinc/76/10/10/572761010.db2.gz CBVZPKONKQLBLM-PHIMTYICSA-N 1 1 180.295 1.056 10 30 ADEEMO C=C(C)CN1C[C@H]2C[N@H+](C)C[C@H]2C1 306738903 572761012 /nfs/dbraw/zinc/76/10/12/572761012.db2.gz CBVZPKONKQLBLM-PHIMTYICSA-N 1 1 180.295 1.056 10 30 ADEEMO C#C[C@](C)(CC)Nc1cc(N)[nH+]cn1 306757533 572761555 /nfs/dbraw/zinc/76/15/55/572761555.db2.gz SOYCQPOBAWWWTP-SNVBAGLBSA-N 1 1 190.250 1.273 10 30 ADEEMO C[C@H](C#N)C[NH2+]Cc1sccc1N 85572495 572761694 /nfs/dbraw/zinc/76/16/94/572761694.db2.gz WVRYMTFETHYRLJ-SSDOTTSWSA-N 1 1 195.291 1.580 10 30 ADEEMO C=CCC[C@@H](C)[N@@H+]1CC[C@H]([NH3+])C1 307914955 572761918 /nfs/dbraw/zinc/76/19/18/572761918.db2.gz WBORFAMJNZSOFZ-ZJUUUORDSA-N 1 1 168.284 1.374 10 30 ADEEMO C=C1CCN(CC[C@H](C)[NH3+])CC1 306743224 572761989 /nfs/dbraw/zinc/76/19/89/572761989.db2.gz GXHANQBXYXJAKV-JTQLQIEISA-N 1 1 168.284 1.376 10 30 ADEEMO C[C@@H](C#N)C[NH2+]Cc1sccc1N 85572497 572762323 /nfs/dbraw/zinc/76/23/23/572762323.db2.gz WVRYMTFETHYRLJ-ZETCQYMHSA-N 1 1 195.291 1.580 10 30 ADEEMO C[N@@H+](CCC[C@H]1CO1)C1CCC1 308120944 572762606 /nfs/dbraw/zinc/76/26/06/572762606.db2.gz PTDXHZUKGWBTIW-JTQLQIEISA-N 1 1 169.268 1.650 10 30 ADEEMO C=CCC[C@H](C)[N@@H+]1CC[C@H]([NH3+])C1 307914954 572762641 /nfs/dbraw/zinc/76/26/41/572762641.db2.gz WBORFAMJNZSOFZ-UWVGGRQHSA-N 1 1 168.284 1.374 10 30 ADEEMO COC[C@H](C)C[N@@H+](C)CCS 307913691 572763209 /nfs/dbraw/zinc/76/32/09/572763209.db2.gz ZRHWTOPRKJATPJ-MRVPVSSYSA-N 1 1 177.313 1.131 10 30 ADEEMO C=C(C)CC[N@@H+]1CCC[C@@H](N)[C@H]1C 306797581 572763437 /nfs/dbraw/zinc/76/34/37/572763437.db2.gz KTJKJBIJPAKHEE-GHMZBOCLSA-N 1 1 182.311 1.764 10 30 ADEEMO C=C(C)CCN1CCC[C@@H]([NH3+])[C@H]1C 306797581 572763442 /nfs/dbraw/zinc/76/34/42/572763442.db2.gz KTJKJBIJPAKHEE-GHMZBOCLSA-N 1 1 182.311 1.764 10 30 ADEEMO C[C@@H](C#N)C[NH2+]Cc1ccccc1N 85573350 572763623 /nfs/dbraw/zinc/76/36/23/572763623.db2.gz GUSPAWKXISMLBT-VIFPVBQESA-N 1 1 189.262 1.518 10 30 ADEEMO COC[C@@H](C)C[N@@H+](C)CCS 307913692 572763723 /nfs/dbraw/zinc/76/37/23/572763723.db2.gz ZRHWTOPRKJATPJ-QMMMGPOBSA-N 1 1 177.313 1.131 10 30 ADEEMO C[C@H](C#N)C[NH2+]Cc1ccccc1N 85573348 572763726 /nfs/dbraw/zinc/76/37/26/572763726.db2.gz GUSPAWKXISMLBT-SECBINFHSA-N 1 1 189.262 1.518 10 30 ADEEMO CC#CCC[NH2+]Cc1cocn1 308120940 572763936 /nfs/dbraw/zinc/76/39/36/572763936.db2.gz PSWXCZGYNSLHCE-UHFFFAOYSA-N 1 1 164.208 1.178 10 30 ADEEMO CCCC[C@H](C)[N@@H+](C)C[C@H]1CO1 308121162 572764003 /nfs/dbraw/zinc/76/40/03/572764003.db2.gz QAYBUWJFVFCLLG-UWVGGRQHSA-N 1 1 171.284 1.896 10 30 ADEEMO N#CCC[NH2+]Cc1ccccc1N 85573038 572764089 /nfs/dbraw/zinc/76/40/89/572764089.db2.gz GRMQYHLKADHLLB-UHFFFAOYSA-N 1 1 175.235 1.272 10 30 ADEEMO C[N@@H+](CCC[C@@H]1CO1)C1CCC1 308120945 572764259 /nfs/dbraw/zinc/76/42/59/572764259.db2.gz PTDXHZUKGWBTIW-SNVBAGLBSA-N 1 1 169.268 1.650 10 30 ADEEMO CCCC[C@@H](C)[N@@H+](C)C[C@H]1CO1 308121163 572764783 /nfs/dbraw/zinc/76/47/83/572764783.db2.gz QAYBUWJFVFCLLG-ZJUUUORDSA-N 1 1 171.284 1.896 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCCC[C@@H](CO)C1 306787603 572766662 /nfs/dbraw/zinc/76/66/62/572766662.db2.gz MYJPXYXTKYTULP-WDEREUQCSA-N 1 1 183.295 1.655 10 30 ADEEMO C#C[C@@]1(O)CC[N@H+](CC(=C)CC)C1 306767274 572764873 /nfs/dbraw/zinc/76/48/73/572764873.db2.gz XVBSQCVMGPTQHU-LLVKDONJSA-N 1 1 179.263 1.023 10 30 ADEEMO N#CCC[NH2+]Cc1sccc1N 85571829 572764992 /nfs/dbraw/zinc/76/49/92/572764992.db2.gz JLLDFPYGVLOCMZ-UHFFFAOYSA-N 1 1 181.264 1.334 10 30 ADEEMO C#CC[N@H+](CCCF)C1CC1 307918090 572765190 /nfs/dbraw/zinc/76/51/90/572765190.db2.gz DJEHGUFJWKPSOZ-UHFFFAOYSA-N 1 1 155.216 1.444 10 30 ADEEMO C=CCC[N@H+]1CC[S@](=O)C[C@H]1C 306714490 572765207 /nfs/dbraw/zinc/76/52/07/572765207.db2.gz QPNJJJQXGLJXSB-SKDRFNHKSA-N 1 1 187.308 1.015 10 30 ADEEMO C=CCC[N@@H+]1CC[S@](=O)C[C@H]1C 306714490 572765210 /nfs/dbraw/zinc/76/52/10/572765210.db2.gz QPNJJJQXGLJXSB-SKDRFNHKSA-N 1 1 187.308 1.015 10 30 ADEEMO C=CC[N@H+](C)[C@@H]1CCCSC1 306748687 572766730 /nfs/dbraw/zinc/76/67/30/572766730.db2.gz HGBBKFZNFBTYCX-SECBINFHSA-N 1 1 171.309 2.000 10 30 ADEEMO C#CC[N@H+](C(C)C)C1CCOCC1 307751119 572766741 /nfs/dbraw/zinc/76/67/41/572766741.db2.gz MQXYKQMAXDVDFE-UHFFFAOYSA-N 1 1 181.279 1.509 10 30 ADEEMO CC[C@@H](CC#N)[NH2+]Cc1cc[nH]c1 85579828 572766876 /nfs/dbraw/zinc/76/68/76/572766876.db2.gz NQCJLOCLOMMHLA-JTQLQIEISA-N 1 1 177.251 1.797 10 30 ADEEMO C[C@@H](C#N)C[NH2+]Cc1cc[nH]c1 85579826 572766985 /nfs/dbraw/zinc/76/69/85/572766985.db2.gz FYULUSPXTGVXTJ-QMMMGPOBSA-N 1 1 163.224 1.264 10 30 ADEEMO CC[C@H](CC#N)[NH2+]Cc1cc[nH]c1 85579830 572768032 /nfs/dbraw/zinc/76/80/32/572768032.db2.gz NQCJLOCLOMMHLA-SNVBAGLBSA-N 1 1 177.251 1.797 10 30 ADEEMO C#CCCO[NH+]=C(N)CCC 307918882 572768127 /nfs/dbraw/zinc/76/81/27/572768127.db2.gz FRYXDUXOQBQDAK-UHFFFAOYSA-N 1 1 154.213 1.099 10 30 ADEEMO C[C@H](C#N)C[NH2+]Cc1cc[nH]c1 85579824 572768204 /nfs/dbraw/zinc/76/82/04/572768204.db2.gz FYULUSPXTGVXTJ-MRVPVSSYSA-N 1 1 163.224 1.264 10 30 ADEEMO C=C[C@H](C)[N@H+](C)C[C@H](C)OC 307918652 572768536 /nfs/dbraw/zinc/76/85/36/572768536.db2.gz FGIPEGKNDPOISK-IUCAKERBSA-N 1 1 157.257 1.528 10 30 ADEEMO C=CC(C)(C)C[N@@H+]1C[C@H](C)NC[C@H]1C 306729799 572770208 /nfs/dbraw/zinc/77/02/08/572770208.db2.gz DERQVTBLCFDBKO-WDEREUQCSA-N 1 1 196.338 1.881 10 30 ADEEMO C#CCCCN1CCC[C@H]([NH3+])[C@@H]1C 306769507 572768915 /nfs/dbraw/zinc/76/89/15/572768915.db2.gz AJHQVFNCLWTRKG-QWRGUYRKSA-N 1 1 180.295 1.211 10 30 ADEEMO C#CCCC[N@H+]1CCC[C@H](N)[C@@H]1C 306769507 572768920 /nfs/dbraw/zinc/76/89/20/572768920.db2.gz AJHQVFNCLWTRKG-QWRGUYRKSA-N 1 1 180.295 1.211 10 30 ADEEMO C#CCCC[N@@H+]1CCC[C@H](N)[C@@H]1C 306769507 572768923 /nfs/dbraw/zinc/76/89/23/572768923.db2.gz AJHQVFNCLWTRKG-QWRGUYRKSA-N 1 1 180.295 1.211 10 30 ADEEMO Cc1[nH+]ccn1CCC[C@H]1CO1 308123501 572769014 /nfs/dbraw/zinc/76/90/14/572769014.db2.gz SOXLOSLUVBAVQV-VIFPVBQESA-N 1 1 166.224 1.371 10 30 ADEEMO C=C[C@@H](C)[N@H+](C)C[C@H](C)OC 307918650 572769380 /nfs/dbraw/zinc/76/93/80/572769380.db2.gz FGIPEGKNDPOISK-BDAKNGLRSA-N 1 1 157.257 1.528 10 30 ADEEMO C=C[C@H](C)[N@H+](C)C[C@@H](C)OC 307918651 572769337 /nfs/dbraw/zinc/76/93/37/572769337.db2.gz FGIPEGKNDPOISK-DTWKUNHWSA-N 1 1 157.257 1.528 10 30 ADEEMO C=C[C@@H](C)[N@H+](C)C[C@@H](C)OC 307918653 572769557 /nfs/dbraw/zinc/76/95/57/572769557.db2.gz FGIPEGKNDPOISK-RKDXNWHRSA-N 1 1 157.257 1.528 10 30 ADEEMO C#C[C@H](C)[NH2+][C@@](C)(CN)[C@H](C)CC 308126193 572770114 /nfs/dbraw/zinc/77/01/14/572770114.db2.gz BAZJPROESRJSGZ-VWYCJHECSA-N 1 1 182.311 1.361 10 30 ADEEMO C=CC(C)(C)CN1C[C@H](C)[NH2+]C[C@H]1C 306729799 572770212 /nfs/dbraw/zinc/77/02/12/572770212.db2.gz DERQVTBLCFDBKO-WDEREUQCSA-N 1 1 196.338 1.881 10 30 ADEEMO C#CC(C)(C)[N@@H+](C)CC(C)(C)O 307703556 572770304 /nfs/dbraw/zinc/77/03/04/572770304.db2.gz VSTJUGLWBWCGII-UHFFFAOYSA-N 1 1 169.268 1.101 10 30 ADEEMO CCn1ccc(C[NH2+]CCC#N)c1 85605199 572770372 /nfs/dbraw/zinc/77/03/72/572770372.db2.gz QTGCCDWWYVCDOO-UHFFFAOYSA-N 1 1 177.251 1.511 10 30 ADEEMO C#C[C@H](C)[NH2+][C@@](C)(CN)[C@@H](C)CC 308126188 572770425 /nfs/dbraw/zinc/77/04/25/572770425.db2.gz BAZJPROESRJSGZ-DCAQKATOSA-N 1 1 182.311 1.361 10 30 ADEEMO COCC[N@@H+](CC[C@H]1CO1)C(C)C 308125942 572770629 /nfs/dbraw/zinc/77/06/29/572770629.db2.gz AKDLNFZNODFMCM-JTQLQIEISA-N 1 1 187.283 1.132 10 30 ADEEMO C=CC[N@@H+]1CCCC[C@H]1[C@H](O)C=C 308125732 572771543 /nfs/dbraw/zinc/77/15/43/572771543.db2.gz ADRRLNNXTAEQPS-WDEREUQCSA-N 1 1 181.279 1.574 10 30 ADEEMO C=CC[N@@H+]1CCCC[C@@H]1[C@H](O)C=C 308125728 572771734 /nfs/dbraw/zinc/77/17/34/572771734.db2.gz ADRRLNNXTAEQPS-GHMZBOCLSA-N 1 1 181.279 1.574 10 30 ADEEMO CC(C)C[N@@H+](C)CCC[C@@H]1CO1 308125570 572772244 /nfs/dbraw/zinc/77/22/44/572772244.db2.gz VGSLOXVTACXWTA-SNVBAGLBSA-N 1 1 171.284 1.753 10 30 ADEEMO C=C(C)CN(C)[C@@H]1C[C@@H](C)[N@H+](C)C1 307724260 572772264 /nfs/dbraw/zinc/77/22/64/572772264.db2.gz XSSKCJRECBHYFP-GHMZBOCLSA-N 1 1 182.311 1.587 10 30 ADEEMO C=C(C)C[N@@H+](C)[C@@H]1C[C@@H](C)N(C)C1 307724260 572772266 /nfs/dbraw/zinc/77/22/66/572772266.db2.gz XSSKCJRECBHYFP-GHMZBOCLSA-N 1 1 182.311 1.587 10 30 ADEEMO C=C(C)C[N@H+](C)[C@@H]1C[C@@H](C)N(C)C1 307724260 572772270 /nfs/dbraw/zinc/77/22/70/572772270.db2.gz XSSKCJRECBHYFP-GHMZBOCLSA-N 1 1 182.311 1.587 10 30 ADEEMO CC(C)C[N@@H+](C)CCC[C@H]1CO1 308125562 572772389 /nfs/dbraw/zinc/77/23/89/572772389.db2.gz VGSLOXVTACXWTA-JTQLQIEISA-N 1 1 171.284 1.753 10 30 ADEEMO C#C[C@H](C)[NH2+][C@](C)(CN)[C@H](C)CC 308126192 572772590 /nfs/dbraw/zinc/77/25/90/572772590.db2.gz BAZJPROESRJSGZ-OUAUKWLOSA-N 1 1 182.311 1.361 10 30 ADEEMO CC#CC[NH2+][C@@H]1C[C@H](C)n2ccnc21 307758628 572772604 /nfs/dbraw/zinc/77/26/04/572772604.db2.gz PEUGAUMTJFXHDF-VHSXEESVSA-N 1 1 189.262 1.502 10 30 ADEEMO CCCC(N)=[NH+]OCC(F)F 307925035 572773408 /nfs/dbraw/zinc/77/34/08/572773408.db2.gz PMLKSHWGTLQLQS-UHFFFAOYSA-N 1 1 166.171 1.340 10 30 ADEEMO CC#CCC[N@H+]1CC[C@H](O)C1(C)C 307700689 572773505 /nfs/dbraw/zinc/77/35/05/572773505.db2.gz QQNRDJBQEVJPCC-JTQLQIEISA-N 1 1 181.279 1.245 10 30 ADEEMO C#CC[N@H+]1C[C@@H]2CCCCC[C@@H]21 307758217 572774089 /nfs/dbraw/zinc/77/40/89/572774089.db2.gz NXVAQAFYKHPEFB-QWRGUYRKSA-N 1 1 163.264 1.884 10 30 ADEEMO C=C(C[NH+]1[C@@H](C)COC[C@@H]1C)OC 307721936 572774225 /nfs/dbraw/zinc/77/42/25/572774225.db2.gz RETGNUBBZDMEOJ-IUCAKERBSA-N 1 1 185.267 1.256 10 30 ADEEMO C=CCC[N@H+](C)[C@H]1CC[C@H]1C[NH3+] 307928007 572774695 /nfs/dbraw/zinc/77/46/95/572774695.db2.gz ABBVSWFMTBJTKU-UWVGGRQHSA-N 1 1 168.284 1.232 10 30 ADEEMO CCn1cccc1C[NH2+]CCC#N 85608565 572776134 /nfs/dbraw/zinc/77/61/34/572776134.db2.gz NPOXMJLXQWITGV-UHFFFAOYSA-N 1 1 177.251 1.511 10 30 ADEEMO C=C(C)C[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C[NH3+] 306775802 572775556 /nfs/dbraw/zinc/77/55/56/572775556.db2.gz XGTFMFDXFMOCHU-QJPTWQEYSA-N 1 1 194.322 1.622 10 30 ADEEMO CCCn1cccc1C[NH2+]CCC#N 85608562 572775657 /nfs/dbraw/zinc/77/56/57/572775657.db2.gz UTKFBCAXVSKLGM-UHFFFAOYSA-N 1 1 191.278 1.901 10 30 ADEEMO CCn1cccc1C[NH2+]C[C@H](C)C#N 85609527 572775830 /nfs/dbraw/zinc/77/58/30/572775830.db2.gz IQVXGDMTVLAJEG-SNVBAGLBSA-N 1 1 191.278 1.757 10 30 ADEEMO C=CCC[N@H+](C)[C@@H]1CC[C@H]1C[NH3+] 307928008 572776137 /nfs/dbraw/zinc/77/61/37/572776137.db2.gz ABBVSWFMTBJTKU-VHSXEESVSA-N 1 1 168.284 1.232 10 30 ADEEMO C=C[C@H](C)[N@H+]1C[C@@H](O)C2(CC2)C1 307753869 572777398 /nfs/dbraw/zinc/77/73/98/572777398.db2.gz XMLDMZNVKAPHON-DTWKUNHWSA-N 1 1 167.252 1.018 10 30 ADEEMO CC#CCN1CC[C@H]([N@H+](C)CC)C1 307724883 572777936 /nfs/dbraw/zinc/77/79/36/572777936.db2.gz ZWDAHBBWNBAEET-NSHDSACASA-N 1 1 180.295 1.036 10 30 ADEEMO COCC(C)(C)[N@@H+](C)CCCS 307929945 572778534 /nfs/dbraw/zinc/77/85/34/572778534.db2.gz BLYZCTIMPDZYQH-UHFFFAOYSA-N 1 1 191.340 1.663 10 30 ADEEMO C=C(CC)CN1C[C@@H]2C[C@H](C1)C2[NH3+] 306741923 572779225 /nfs/dbraw/zinc/77/92/25/572779225.db2.gz VGDLRBOYLCUXNC-ZACCUICWSA-N 1 1 180.295 1.232 10 30 ADEEMO CO[C@@H]1CC[N@@H+]([C@@H](C)CC#N)C1 234837740 572779659 /nfs/dbraw/zinc/77/96/59/572779659.db2.gz DHLSRDZUVAAYPJ-DTWKUNHWSA-N 1 1 168.240 1.009 10 30 ADEEMO CO[C@@H]1CC[N@H+]([C@@H](C)CC#N)C1 234837740 572779661 /nfs/dbraw/zinc/77/96/61/572779661.db2.gz DHLSRDZUVAAYPJ-DTWKUNHWSA-N 1 1 168.240 1.009 10 30 ADEEMO C#CCCC[N@@H+]1CCOC[C@H](C)C1 307707467 572780000 /nfs/dbraw/zinc/78/00/00/572780000.db2.gz HLIBBBRYPCYKHO-LLVKDONJSA-N 1 1 181.279 1.368 10 30 ADEEMO C[C@H](CC#N)N[C@@H]1CC[N@H+]2CCC[C@H]12 49567890 572780087 /nfs/dbraw/zinc/78/00/87/572780087.db2.gz IEUDJIVZHDLJMV-GMTAPVOTSA-N 1 1 193.294 1.115 10 30 ADEEMO C[C@H](CC#N)N[C@H]1CC[N@H+]2CCC[C@H]12 49567894 572780570 /nfs/dbraw/zinc/78/05/70/572780570.db2.gz IEUDJIVZHDLJMV-OUAUKWLOSA-N 1 1 193.294 1.115 10 30 ADEEMO C#C[C@H]([NH2+]C)c1cc(OC)ns1 306839389 572780810 /nfs/dbraw/zinc/78/08/10/572780810.db2.gz ZCPVGONPFIFZLH-LURJTMIESA-N 1 1 182.248 1.045 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)Cc1cc[nH]c1 306755626 572784081 /nfs/dbraw/zinc/78/40/81/572784081.db2.gz LDJCAOJVQPHTLF-SECBINFHSA-N 1 1 162.236 1.468 10 30 ADEEMO C#CC[C@H](C)N[C@H]1CCC[NH2+][C@H]1C 306870269 572781317 /nfs/dbraw/zinc/78/13/17/572781317.db2.gz SWPOQOMMFQHVBD-DCAQKATOSA-N 1 1 180.295 1.128 10 30 ADEEMO C#C[C@@H]1C[N@H+](C)CC[C@H]1C 306898282 572782318 /nfs/dbraw/zinc/78/23/18/572782318.db2.gz WRVKYVLGOVQVJJ-RKDXNWHRSA-N 1 1 137.226 1.207 10 30 ADEEMO C=C[C@H](C)[N@H+]1C[C@H](O)CC[C@@H]1C 306867343 572782632 /nfs/dbraw/zinc/78/26/32/572782632.db2.gz PFMJKAWJCDXXEL-LPEHRKFASA-N 1 1 169.268 1.406 10 30 ADEEMO C=C(C)[C@H](O)C1C[C@@H]2CC[C@H](C1)[N@H+]2C 306849703 572782904 /nfs/dbraw/zinc/78/29/04/572782904.db2.gz OEAQWOSAIYJBNI-YATPEIPISA-N 1 1 195.306 1.796 10 30 ADEEMO C=C(C)C[N@H+]1CC[C@](C)(CO)C1 307728229 572782912 /nfs/dbraw/zinc/78/29/12/572782912.db2.gz DXZCCUSTPSFMMU-JTQLQIEISA-N 1 1 169.268 1.267 10 30 ADEEMO COC1C[NH+](CCCCCS)C1 308128973 572783238 /nfs/dbraw/zinc/78/32/38/572783238.db2.gz WNXMWIDOEIRWCZ-UHFFFAOYSA-N 1 1 189.324 1.417 10 30 ADEEMO C=C1CCC[N@@H+](CC2OCCO2)C1 307755369 572783905 /nfs/dbraw/zinc/78/39/05/572783905.db2.gz DCDBAZXCAWJQGO-UHFFFAOYSA-N 1 1 183.251 1.011 10 30 ADEEMO COC[C@H]1CCCC[N@H+]1C(C)(C)C=O 307762884 572784569 /nfs/dbraw/zinc/78/45/69/572784569.db2.gz GOBPSBFIGZAUNL-SNVBAGLBSA-N 1 1 199.294 1.465 10 30 ADEEMO COC[C@@H]1CCCC[N@H+]1C[C@H](C)C#N 307765329 572784636 /nfs/dbraw/zinc/78/46/36/572784636.db2.gz PXOVTIJZATZABL-MNOVXSKESA-N 1 1 196.294 1.647 10 30 ADEEMO COC[C@H]1CCCC[N@H+]1[C@@H](C)CC#N 307766892 572785177 /nfs/dbraw/zinc/78/51/77/572785177.db2.gz SHADKVXCWHENNQ-WDEREUQCSA-N 1 1 196.294 1.789 10 30 ADEEMO COC[C@@H]1CCCC[N@H+]1[C@@H](C)CC#N 307766891 572784895 /nfs/dbraw/zinc/78/48/95/572784895.db2.gz SHADKVXCWHENNQ-QWRGUYRKSA-N 1 1 196.294 1.789 10 30 ADEEMO COC[C@H]1CCCC[N@H+]1C[C@H](C)C#N 307765328 572784986 /nfs/dbraw/zinc/78/49/86/572784986.db2.gz PXOVTIJZATZABL-GHMZBOCLSA-N 1 1 196.294 1.647 10 30 ADEEMO C[N@H+](CC=O)C[C@@H]1CCCC(C)(C)O1 714325853 572785163 /nfs/dbraw/zinc/78/51/63/572785163.db2.gz UTZZBUHJXGYFRF-JTQLQIEISA-N 1 1 199.294 1.465 10 30 ADEEMO C[N@@H+](CC=O)C[C@@H]1CCCC(C)(C)O1 714325853 572785169 /nfs/dbraw/zinc/78/51/69/572785169.db2.gz UTZZBUHJXGYFRF-JTQLQIEISA-N 1 1 199.294 1.465 10 30 ADEEMO C#CCC[N@@H+]1C[C@H](C)[C@@H]1C 306820064 572785244 /nfs/dbraw/zinc/78/52/44/572785244.db2.gz DFOUYZPKLLIBCA-IUCAKERBSA-N 1 1 137.226 1.350 10 30 ADEEMO COC[C@H]1CCCC[N@H+]1[C@H](C)CC#N 307766889 572785340 /nfs/dbraw/zinc/78/53/40/572785340.db2.gz SHADKVXCWHENNQ-GHMZBOCLSA-N 1 1 196.294 1.789 10 30 ADEEMO C=C[C@H](C)[N@@H+]1CCCN(CC)CC1 307756205 572785408 /nfs/dbraw/zinc/78/54/08/572785408.db2.gz HCYFVEQPRAVKGI-NSHDSACASA-N 1 1 182.311 1.589 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCCN(CC)CC1 307756205 572785409 /nfs/dbraw/zinc/78/54/09/572785409.db2.gz HCYFVEQPRAVKGI-NSHDSACASA-N 1 1 182.311 1.589 10 30 ADEEMO CCC/C=[NH+]/[C@H](CC)CO 196549201 572785900 /nfs/dbraw/zinc/78/59/00/572785900.db2.gz XNNWWWUMEXPIHR-GTUWVTDSSA-N 1 1 143.230 1.628 10 30 ADEEMO COC[C@@H]1CCCC[N@H+]1C(C)(C)C=O 307762883 572785911 /nfs/dbraw/zinc/78/59/11/572785911.db2.gz GOBPSBFIGZAUNL-JTQLQIEISA-N 1 1 199.294 1.465 10 30 ADEEMO C#C[C@H](C)[NH2+][C@](C)(CN)CC1CCC1 166578039 572785945 /nfs/dbraw/zinc/78/59/45/572785945.db2.gz FFLBSWOGVBPKHV-JQWIXIFHSA-N 1 1 194.322 1.505 10 30 ADEEMO C=C(C)[C@H]1CC[N@H+]2CCC[C@H]2[C@@H]1O 306852721 572786073 /nfs/dbraw/zinc/78/60/73/572786073.db2.gz SMYLAFFSRQDQMC-OUAUKWLOSA-N 1 1 181.279 1.408 10 30 ADEEMO CCC/C=[NH+]/[C@@H](CC)CO 196549195 572786182 /nfs/dbraw/zinc/78/61/82/572786182.db2.gz XNNWWWUMEXPIHR-CYXIBPNKSA-N 1 1 143.230 1.628 10 30 ADEEMO C=C1CC[NH+]([C@@H](CN)C(C)C)CC1 306848415 572786236 /nfs/dbraw/zinc/78/62/36/572786236.db2.gz MMQDWAFKBAMYQH-NSHDSACASA-N 1 1 182.311 1.622 10 30 ADEEMO C=C[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CO)C1 306806415 572786268 /nfs/dbraw/zinc/78/62/68/572786268.db2.gz JNLGCERFPYBLAV-BBBLOLIVSA-N 1 1 169.268 1.121 10 30 ADEEMO COC[C@H]1CCCC[N@H+]1CCS 307765602 572786285 /nfs/dbraw/zinc/78/62/85/572786285.db2.gz BOCJWUMACIISRP-SECBINFHSA-N 1 1 189.324 1.417 10 30 ADEEMO N/C(CC/[NH+]=C/c1ccccc1)=N\O 238547068 572786291 /nfs/dbraw/zinc/78/62/91/572786291.db2.gz DKWMVXMVNNFNBO-XYOKQWHBSA-N 1 1 191.234 1.242 10 30 ADEEMO C=C1C[N@@H+]2CCC[C@H]2CN1C(C)C 306810310 572786489 /nfs/dbraw/zinc/78/64/89/572786489.db2.gz UGNWSAPPGHXWAV-NSHDSACASA-N 1 1 180.295 1.689 10 30 ADEEMO C=C1CN2CCC[C@H]2C[N@H+]1C(C)C 306810310 572786494 /nfs/dbraw/zinc/78/64/94/572786494.db2.gz UGNWSAPPGHXWAV-NSHDSACASA-N 1 1 180.295 1.689 10 30 ADEEMO C=C1CN2CCC[C@H]2C[N@@H+]1C(C)C 306810310 572786496 /nfs/dbraw/zinc/78/64/96/572786496.db2.gz UGNWSAPPGHXWAV-NSHDSACASA-N 1 1 180.295 1.689 10 30 ADEEMO COC[C@@H]1CCCC[N@H+]1C[C@@H](C)C#N 307765330 572786796 /nfs/dbraw/zinc/78/67/96/572786796.db2.gz PXOVTIJZATZABL-QWRGUYRKSA-N 1 1 196.294 1.647 10 30 ADEEMO C=C[C@H](C)[N@@H+]1C[C@@H](O)[C@@H](CC)C1 307755128 572787083 /nfs/dbraw/zinc/78/70/83/572787083.db2.gz CMQAFAJTOLYGEC-LPEHRKFASA-N 1 1 169.268 1.264 10 30 ADEEMO C#CC[C@H](NC)C(C)(C)[NH+]1CCCC1 85740779 572787973 /nfs/dbraw/zinc/78/79/73/572787973.db2.gz BXCXSGFAWMFCCQ-NSHDSACASA-N 1 1 194.322 1.472 10 30 ADEEMO C=CC[C@H]([NH3+])[C@](C)(CC)N(C)C 85745705 572787376 /nfs/dbraw/zinc/78/73/76/572787376.db2.gz MFVBZBHSVXBZEF-UWVGGRQHSA-N 1 1 170.300 1.620 10 30 ADEEMO C=C[C@H](NC)[C@@](C)(CC)[NH+](C)C 85746107 572787454 /nfs/dbraw/zinc/78/74/54/572787454.db2.gz RAXXGHNYLQPWPN-VHSXEESVSA-N 1 1 170.300 1.491 10 30 ADEEMO C#CC[C@@H]([NH3+])[C@](C)(CC)N(C)C 85745933 572787552 /nfs/dbraw/zinc/78/75/52/572787552.db2.gz FENGOIYFRXLJDX-ZJUUUORDSA-N 1 1 168.284 1.067 10 30 ADEEMO COC[C@@H]1CCCC[N@H+]1[C@H](C)CC#N 307766890 572787555 /nfs/dbraw/zinc/78/75/55/572787555.db2.gz SHADKVXCWHENNQ-MNOVXSKESA-N 1 1 196.294 1.789 10 30 ADEEMO C=CC[N@H+](CCCO)[C@H](C)C(C)C 308130997 572787556 /nfs/dbraw/zinc/78/75/56/572787556.db2.gz AXVKEZBBHULTGH-LLVKDONJSA-N 1 1 185.311 1.901 10 30 ADEEMO C#CCC[C@H]([NH3+])[C@@](C)(CC)N(C)C 85745785 572787610 /nfs/dbraw/zinc/78/76/10/572787610.db2.gz QTFHRFQKUFXUCO-WDEREUQCSA-N 1 1 182.311 1.457 10 30 ADEEMO C=CC[N@H+](C)C1CC1 141583120 572787704 /nfs/dbraw/zinc/78/77/04/572787704.db2.gz IWTDCJIERIZKAH-UHFFFAOYSA-N 1 1 111.188 1.267 10 30 ADEEMO COC[C@H]1CCCC[N@H+]1C[C@@H](C)C#N 307765331 572787773 /nfs/dbraw/zinc/78/77/73/572787773.db2.gz PXOVTIJZATZABL-WDEREUQCSA-N 1 1 196.294 1.647 10 30 ADEEMO C=C[C@@H](NC)C(C)(C)[NH+](CC)CC 85739315 572787870 /nfs/dbraw/zinc/78/78/70/572787870.db2.gz XXTKUDSAXPNOHM-SNVBAGLBSA-N 1 1 184.327 1.881 10 30 ADEEMO C#CC[C@H](NC)C(C)(C)[NH+](CC)CC 85739474 572787943 /nfs/dbraw/zinc/78/79/43/572787943.db2.gz QXGZLTHYBLPGKY-NSHDSACASA-N 1 1 196.338 1.718 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)CCCOCC=C 308131364 572788116 /nfs/dbraw/zinc/78/81/16/572788116.db2.gz BCLLUJDOPWPJOF-LLVKDONJSA-N 1 1 181.279 1.533 10 30 ADEEMO C=C[C@@H](NCC)[C@@](C)(CC)[NH+](C)C 85746707 572788138 /nfs/dbraw/zinc/78/81/38/572788138.db2.gz IZPTZJLUSVHSHS-GHMZBOCLSA-N 1 1 184.327 1.881 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CC[C@H](O)C(C)(C)C1 306814042 572788162 /nfs/dbraw/zinc/78/81/62/572788162.db2.gz APJJPFHCHXLAAH-ZJUUUORDSA-N 1 1 183.295 1.654 10 30 ADEEMO C=C[C@H](NC)C(C)(C)[NH+](CC)CC 85739319 572788166 /nfs/dbraw/zinc/78/81/66/572788166.db2.gz XXTKUDSAXPNOHM-JTQLQIEISA-N 1 1 184.327 1.881 10 30 ADEEMO CC#CC[C@H]([NH3+])[C@@](C)(CC)N(C)C 85745606 572788252 /nfs/dbraw/zinc/78/82/52/572788252.db2.gz NJQIQUBFEAPREP-WDEREUQCSA-N 1 1 182.311 1.457 10 30 ADEEMO C#CC[C@@H](NC)C(C)(C)[NH+](CC)CC 85739472 572788332 /nfs/dbraw/zinc/78/83/32/572788332.db2.gz QXGZLTHYBLPGKY-LLVKDONJSA-N 1 1 196.338 1.718 10 30 ADEEMO C#C[C@@H]([NH2+]C)c1cccc(OC)c1F 306889964 572788397 /nfs/dbraw/zinc/78/83/97/572788397.db2.gz UNZVRJNZNHHKPF-SECBINFHSA-N 1 1 193.221 1.728 10 30 ADEEMO C#C[C@H](NCC)C(C)(C)[NH+]1CCCC1 85740867 572788460 /nfs/dbraw/zinc/78/84/60/572788460.db2.gz GATBIVWHOQRUTC-NSHDSACASA-N 1 1 194.322 1.472 10 30 ADEEMO C=CC[N@H+](CCCO)[C@@H](C)C(C)C 308130998 572788468 /nfs/dbraw/zinc/78/84/68/572788468.db2.gz AXVKEZBBHULTGH-NSHDSACASA-N 1 1 185.311 1.901 10 30 ADEEMO C=C[C@@H](NCC)[C@](C)(CC)[NH+](C)C 85746703 572788535 /nfs/dbraw/zinc/78/85/35/572788535.db2.gz IZPTZJLUSVHSHS-MNOVXSKESA-N 1 1 184.327 1.881 10 30 ADEEMO CC#CC[NH2+][C@@H](C)c1ccncn1 306829601 572788577 /nfs/dbraw/zinc/78/85/77/572788577.db2.gz KBJPLGRSNBKONF-VIFPVBQESA-N 1 1 175.235 1.151 10 30 ADEEMO C=C(C)[C@H](O)Cn1c[nH+]c(C)c1C 306863648 572788638 /nfs/dbraw/zinc/78/86/38/572788638.db2.gz IVYFUKZJCNCFAY-SNVBAGLBSA-N 1 1 180.251 1.437 10 30 ADEEMO C=C[C@H](C)[N@H+]1CC[C@]2(CCOC2)C1 307749129 572788658 /nfs/dbraw/zinc/78/86/58/572788658.db2.gz FLQSKCSQDLOXJJ-QWRGUYRKSA-N 1 1 181.279 1.673 10 30 ADEEMO CC#CC[C@H]([NH3+])[C@](C)(CC)N(C)C 85745603 572789704 /nfs/dbraw/zinc/78/97/04/572789704.db2.gz NJQIQUBFEAPREP-QWRGUYRKSA-N 1 1 182.311 1.457 10 30 ADEEMO CC#CC[C@@H]([NH3+])[C@@](C)(CC)N(C)C 85745600 572788752 /nfs/dbraw/zinc/78/87/52/572788752.db2.gz NJQIQUBFEAPREP-GHMZBOCLSA-N 1 1 182.311 1.457 10 30 ADEEMO C#C[C@H](NC)C(C)(C)[NH+](CC)CC 85739412 572788762 /nfs/dbraw/zinc/78/87/62/572788762.db2.gz SBGUKPZLXUKNMC-JTQLQIEISA-N 1 1 182.311 1.328 10 30 ADEEMO C#CCC[C@@H](N)C(C)(C)[NH+]1CCCC1 85740500 572788806 /nfs/dbraw/zinc/78/88/06/572788806.db2.gz PVGFFUKUKMOHBP-LLVKDONJSA-N 1 1 194.322 1.602 10 30 ADEEMO C#CCC[C@@H]([NH3+])[C@@](C)(CC)N(C)C 85745779 572788820 /nfs/dbraw/zinc/78/88/20/572788820.db2.gz QTFHRFQKUFXUCO-GHMZBOCLSA-N 1 1 182.311 1.457 10 30 ADEEMO C=C(C)[C@@H](O)C1C[C@@H]2CC[C@H](C1)[N@H+]2C 306849702 572788832 /nfs/dbraw/zinc/78/88/32/572788832.db2.gz OEAQWOSAIYJBNI-FGNRJIRKSA-N 1 1 195.306 1.796 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)CCCOCC=C 308131365 572788836 /nfs/dbraw/zinc/78/88/36/572788836.db2.gz BCLLUJDOPWPJOF-NSHDSACASA-N 1 1 181.279 1.533 10 30 ADEEMO C=CC[C@@H](N)C(C)(C)[NH+]1CCCC1 85740483 572788964 /nfs/dbraw/zinc/78/89/64/572788964.db2.gz ZWHDBBPIOYGNHN-SNVBAGLBSA-N 1 1 182.311 1.764 10 30 ADEEMO C#C[C@@H](NCC)[C@](C)(CC)[NH+](C)C 85746865 572789035 /nfs/dbraw/zinc/78/90/35/572789035.db2.gz MWMMVFWACJORGV-MNOVXSKESA-N 1 1 182.311 1.328 10 30 ADEEMO C=C[C@H](NC)[C@](C)(CC)[NH+](C)C 85746103 572789046 /nfs/dbraw/zinc/78/90/46/572789046.db2.gz RAXXGHNYLQPWPN-UWVGGRQHSA-N 1 1 170.300 1.491 10 30 ADEEMO C=C[C@H](NCC)[C@@](C)(CC)[NH+](C)C 85746714 572789071 /nfs/dbraw/zinc/78/90/71/572789071.db2.gz IZPTZJLUSVHSHS-WDEREUQCSA-N 1 1 184.327 1.881 10 30 ADEEMO C[N@H+](CC=O)C[C@H]1CCCC(C)(C)O1 714325854 572791217 /nfs/dbraw/zinc/79/12/17/572791217.db2.gz UTZZBUHJXGYFRF-SNVBAGLBSA-N 1 1 199.294 1.465 10 30 ADEEMO C#C[C@@H](NCC)[C@@](C)(CC)[NH+](C)C 85746869 572789184 /nfs/dbraw/zinc/78/91/84/572789184.db2.gz MWMMVFWACJORGV-GHMZBOCLSA-N 1 1 182.311 1.328 10 30 ADEEMO C#C[C@H](NCC)[C@@](C)(CC)[NH+](C)C 85746873 572789281 /nfs/dbraw/zinc/78/92/81/572789281.db2.gz MWMMVFWACJORGV-WDEREUQCSA-N 1 1 182.311 1.328 10 30 ADEEMO C=CC[N@@H+](C)CCCF 307710494 572789376 /nfs/dbraw/zinc/78/93/76/572789376.db2.gz PTTPGRVIJJYVSL-UHFFFAOYSA-N 1 1 131.194 1.464 10 30 ADEEMO C=C(C[N@@H+]1[C@@H](C)COC[C@H]1C)OC 307721935 572789434 /nfs/dbraw/zinc/78/94/34/572789434.db2.gz RETGNUBBZDMEOJ-DTORHVGOSA-N 1 1 185.267 1.256 10 30 ADEEMO C=C(C[N@H+]1[C@@H](C)COC[C@H]1C)OC 307721935 572789438 /nfs/dbraw/zinc/78/94/38/572789438.db2.gz RETGNUBBZDMEOJ-DTORHVGOSA-N 1 1 185.267 1.256 10 30 ADEEMO C=C1CN2CCCC[C@@H]2C[N@@H+]1CC 306808021 572789815 /nfs/dbraw/zinc/78/98/15/572789815.db2.gz NWOFOKKLFKDGHY-LLVKDONJSA-N 1 1 180.295 1.690 10 30 ADEEMO C=C1C[N@H+]2CCCC[C@@H]2CN1CC 306808021 572789819 /nfs/dbraw/zinc/78/98/19/572789819.db2.gz NWOFOKKLFKDGHY-LLVKDONJSA-N 1 1 180.295 1.690 10 30 ADEEMO C=C1C[N@@H+]2CCCC[C@@H]2CN1CC 306808021 572789823 /nfs/dbraw/zinc/78/98/23/572789823.db2.gz NWOFOKKLFKDGHY-LLVKDONJSA-N 1 1 180.295 1.690 10 30 ADEEMO C#C[C@@H](NC)C(C)(C)[NH+](CC)CC 85739409 572789830 /nfs/dbraw/zinc/78/98/30/572789830.db2.gz SBGUKPZLXUKNMC-SNVBAGLBSA-N 1 1 182.311 1.328 10 30 ADEEMO C#CCC[C@H]([NH3+])C(C)(C)N(CC)CC 85739194 572789941 /nfs/dbraw/zinc/78/99/41/572789941.db2.gz WJIBQLPQKFQHFN-NSHDSACASA-N 1 1 196.338 1.848 10 30 ADEEMO C=C[C@H]([NH2+]C)C(C)(C)N1CCCC1 85740620 572789951 /nfs/dbraw/zinc/78/99/51/572789951.db2.gz IDZQKLVXFSBOOU-JTQLQIEISA-N 1 1 182.311 1.635 10 30 ADEEMO C#C[C@H](NCC)C(C)(C)[NH+](CC)CC 85739564 572790170 /nfs/dbraw/zinc/79/01/70/572790170.db2.gz FBFOEGBKYVQSEN-NSHDSACASA-N 1 1 196.338 1.718 10 30 ADEEMO CC#CC[C@@H]([NH3+])[C@](C)(CC)N(C)C 85745598 572790192 /nfs/dbraw/zinc/79/01/92/572790192.db2.gz NJQIQUBFEAPREP-MNOVXSKESA-N 1 1 182.311 1.457 10 30 ADEEMO C#CCC[C@H]([NH3+])[C@](C)(CC)N(C)C 85745782 572790252 /nfs/dbraw/zinc/79/02/52/572790252.db2.gz QTFHRFQKUFXUCO-QWRGUYRKSA-N 1 1 182.311 1.457 10 30 ADEEMO C#CCC[C@@H]([NH3+])[C@](C)(CC)N(C)C 85745776 572790299 /nfs/dbraw/zinc/79/02/99/572790299.db2.gz QTFHRFQKUFXUCO-MNOVXSKESA-N 1 1 182.311 1.457 10 30 ADEEMO C=C[C@H](NCC)[C@](C)(CC)[NH+](C)C 85746711 572790362 /nfs/dbraw/zinc/79/03/62/572790362.db2.gz IZPTZJLUSVHSHS-QWRGUYRKSA-N 1 1 184.327 1.881 10 30 ADEEMO C=CC[C@H]([NH3+])[C@@](C)(CC)N(C)C 85745708 572790483 /nfs/dbraw/zinc/79/04/83/572790483.db2.gz MFVBZBHSVXBZEF-VHSXEESVSA-N 1 1 170.300 1.620 10 30 ADEEMO C=CC[C@H](N)C(C)(C)[NH+]1CCCC1 85740487 572790558 /nfs/dbraw/zinc/79/05/58/572790558.db2.gz ZWHDBBPIOYGNHN-JTQLQIEISA-N 1 1 182.311 1.764 10 30 ADEEMO C=CC[C@@H]([NH3+])[C@](C)(CC)N(C)C 85745700 572790600 /nfs/dbraw/zinc/79/06/00/572790600.db2.gz MFVBZBHSVXBZEF-ZJUUUORDSA-N 1 1 170.300 1.620 10 30 ADEEMO C#CC[C@@H]([NH3+])[C@@](C)(CC)N(C)C 85745934 572790714 /nfs/dbraw/zinc/79/07/14/572790714.db2.gz FENGOIYFRXLJDX-NXEZZACHSA-N 1 1 168.284 1.067 10 30 ADEEMO C#C[C@H](NCC)[C@](C)(CC)[NH+](C)C 85746871 572790729 /nfs/dbraw/zinc/79/07/29/572790729.db2.gz MWMMVFWACJORGV-QWRGUYRKSA-N 1 1 182.311 1.328 10 30 ADEEMO C#CC[C@@H](NC)C(C)(C)[NH+]1CCCC1 85740775 572790819 /nfs/dbraw/zinc/79/08/19/572790819.db2.gz BXCXSGFAWMFCCQ-LLVKDONJSA-N 1 1 194.322 1.472 10 30 ADEEMO C=C1C[N@@H+]2CCC[C@@H]2CN1C(C)C 306810309 572791014 /nfs/dbraw/zinc/79/10/14/572791014.db2.gz UGNWSAPPGHXWAV-LLVKDONJSA-N 1 1 180.295 1.689 10 30 ADEEMO C=C1CN2CCC[C@@H]2C[N@H+]1C(C)C 306810309 572791017 /nfs/dbraw/zinc/79/10/17/572791017.db2.gz UGNWSAPPGHXWAV-LLVKDONJSA-N 1 1 180.295 1.689 10 30 ADEEMO C#CCC[C@@H]([NH3+])C(C)(C)N(CC)CC 85739191 572791184 /nfs/dbraw/zinc/79/11/84/572791184.db2.gz WJIBQLPQKFQHFN-LLVKDONJSA-N 1 1 196.338 1.848 10 30 ADEEMO C[N@@H+](CC=O)C[C@H]1CCCC(C)(C)O1 714325854 572791222 /nfs/dbraw/zinc/79/12/22/572791222.db2.gz UTZZBUHJXGYFRF-SNVBAGLBSA-N 1 1 199.294 1.465 10 30 ADEEMO C#CCC[C@H](N)C(C)(C)[NH+]1CCCC1 85740502 572791446 /nfs/dbraw/zinc/79/14/46/572791446.db2.gz PVGFFUKUKMOHBP-NSHDSACASA-N 1 1 194.322 1.602 10 30 ADEEMO C=C[C@@H]([NH2+]C)C(C)(C)N1CCCC1 85740618 572791504 /nfs/dbraw/zinc/79/15/04/572791504.db2.gz IDZQKLVXFSBOOU-SNVBAGLBSA-N 1 1 182.311 1.635 10 30 ADEEMO C=C[C@@H](NC)[C@](C)(CC)[NH+](C)C 85746097 572791525 /nfs/dbraw/zinc/79/15/25/572791525.db2.gz RAXXGHNYLQPWPN-ZJUUUORDSA-N 1 1 170.300 1.491 10 30 ADEEMO C=C(C)CN(C)[C@H]1C[C@H](C)[N@H+](C)C1 307724267 572791561 /nfs/dbraw/zinc/79/15/61/572791561.db2.gz XSSKCJRECBHYFP-QWRGUYRKSA-N 1 1 182.311 1.587 10 30 ADEEMO C=C(C)C[N@@H+](C)[C@H]1C[C@H](C)N(C)C1 307724267 572791564 /nfs/dbraw/zinc/79/15/64/572791564.db2.gz XSSKCJRECBHYFP-QWRGUYRKSA-N 1 1 182.311 1.587 10 30 ADEEMO C=C(C)C[N@H+](C)[C@H]1C[C@H](C)N(C)C1 307724267 572791567 /nfs/dbraw/zinc/79/15/67/572791567.db2.gz XSSKCJRECBHYFP-QWRGUYRKSA-N 1 1 182.311 1.587 10 30 ADEEMO C=C(C)C[N@H+]1CC[C@@](C)(CO)C1 307728230 572791800 /nfs/dbraw/zinc/79/18/00/572791800.db2.gz DXZCCUSTPSFMMU-SNVBAGLBSA-N 1 1 169.268 1.267 10 30 ADEEMO C=CCOC(=O)[C@H]([NH3+])C(C)(C)C 307935212 572791936 /nfs/dbraw/zinc/79/19/36/572791936.db2.gz DMSQYMMXNHUXBY-ZETCQYMHSA-N 1 1 171.240 1.089 10 30 ADEEMO C=CC[N@H+](C)Cc1cc[nH]c1 307736123 572792043 /nfs/dbraw/zinc/79/20/43/572792043.db2.gz ZFZFIDMYAJNNLL-UHFFFAOYSA-N 1 1 150.225 1.633 10 30 ADEEMO C=CC[N@@H+]1CCC[C@@](C)(CO)C1 306805703 572792462 /nfs/dbraw/zinc/79/24/62/572792462.db2.gz ANLBSIQJXOCAQY-SNVBAGLBSA-N 1 1 169.268 1.267 10 30 ADEEMO C=C[C@H](COC)[NH2+][C@@H](C)CC#N 307934216 572792581 /nfs/dbraw/zinc/79/25/81/572792581.db2.gz LJOOICBEJKHHNA-DTWKUNHWSA-N 1 1 168.240 1.079 10 30 ADEEMO C#CC[N@H+](C)C[C@@H](C)C(C)C 307705443 572792666 /nfs/dbraw/zinc/79/26/66/572792666.db2.gz VOLHBTWAGFKVDX-SNVBAGLBSA-N 1 1 153.269 1.844 10 30 ADEEMO COC1C[NH+](CCCCS)C1 307934447 572792787 /nfs/dbraw/zinc/79/27/87/572792787.db2.gz XIZPCFIFJRLUBU-UHFFFAOYSA-N 1 1 175.297 1.027 10 30 ADEEMO C=C[C@H](NC)C(CC)(CC)[NH+](C)C 85750786 572792867 /nfs/dbraw/zinc/79/28/67/572792867.db2.gz ZAZONVSIJYRUBV-JTQLQIEISA-N 1 1 184.327 1.881 10 30 ADEEMO C#CC[N@@H+]1CCC[C@@H](SC)C1 307737435 572792871 /nfs/dbraw/zinc/79/28/71/572792871.db2.gz UUYWEQSYRWIXOS-SECBINFHSA-N 1 1 169.293 1.447 10 30 ADEEMO C#CCC[N@@H+]1C[C@@H](C)[C@@H]1C 306820062 572792922 /nfs/dbraw/zinc/79/29/22/572792922.db2.gz DFOUYZPKLLIBCA-BDAKNGLRSA-N 1 1 137.226 1.350 10 30 ADEEMO C=C[C@@H](COC)[NH2+][C@H](C)CC#N 307934215 572793204 /nfs/dbraw/zinc/79/32/04/572793204.db2.gz LJOOICBEJKHHNA-BDAKNGLRSA-N 1 1 168.240 1.079 10 30 ADEEMO C=C[C@H](C)[N@H+]1CC[C@@]2(CCOC2)C1 307749130 572793281 /nfs/dbraw/zinc/79/32/81/572793281.db2.gz FLQSKCSQDLOXJJ-WDEREUQCSA-N 1 1 181.279 1.673 10 30 ADEEMO C=C[C@@H](NC)C(CC)(CC)[NH+](C)C 85750784 572793460 /nfs/dbraw/zinc/79/34/60/572793460.db2.gz ZAZONVSIJYRUBV-SNVBAGLBSA-N 1 1 184.327 1.881 10 30 ADEEMO C=C(Br)C[N@@H+](C)CC 307750414 572794140 /nfs/dbraw/zinc/79/41/40/572794140.db2.gz JWYZDFYEBXRQLC-UHFFFAOYSA-N 1 1 178.073 1.847 10 30 ADEEMO C=C(Br)C[N@H+](C)CC 307750414 572794144 /nfs/dbraw/zinc/79/41/44/572794144.db2.gz JWYZDFYEBXRQLC-UHFFFAOYSA-N 1 1 178.073 1.847 10 30 ADEEMO C=CC[N@@H+]1CCOCC[C@@H]1C 307710672 572794293 /nfs/dbraw/zinc/79/42/93/572794293.db2.gz QNAURBOZBOFJIG-VIFPVBQESA-N 1 1 155.241 1.283 10 30 ADEEMO C#C[C@H](NC)C(CC)(CC)[NH+](C)C 85750843 572794481 /nfs/dbraw/zinc/79/44/81/572794481.db2.gz KRRXIUGWNDONOV-JTQLQIEISA-N 1 1 182.311 1.328 10 30 ADEEMO CC#CC[NH2+][C@H]1C[C@H](C)n2ccnc21 307758627 572794518 /nfs/dbraw/zinc/79/45/18/572794518.db2.gz PEUGAUMTJFXHDF-UWVGGRQHSA-N 1 1 189.262 1.502 10 30 ADEEMO C=C[C@H](COC)[NH2+][C@H](C)CC#N 307934218 572794648 /nfs/dbraw/zinc/79/46/48/572794648.db2.gz LJOOICBEJKHHNA-RKDXNWHRSA-N 1 1 168.240 1.079 10 30 ADEEMO C#CCC[C@H]([NH3+])C(CC)(CC)N(C)C 85750722 572794903 /nfs/dbraw/zinc/79/49/03/572794903.db2.gz BHIAJOXHBAHHDG-NSHDSACASA-N 1 1 196.338 1.848 10 30 ADEEMO C#C[C@H]([NH2+]C)[C@@](C)(CC)N1CCCC1 85749158 572795087 /nfs/dbraw/zinc/79/50/87/572795087.db2.gz WVHWCKUBUXLSDV-NWDGAFQWSA-N 1 1 194.322 1.472 10 30 ADEEMO C#C[C@H]([NH2+]C)[C@](C)(CC)N1CCCC1 85749156 572795131 /nfs/dbraw/zinc/79/51/31/572795131.db2.gz WVHWCKUBUXLSDV-RYUDHWBXSA-N 1 1 194.322 1.472 10 30 ADEEMO C#C[C@@H]([NH2+]C)[C@](C)(CC)N(CC)CC 85748212 572795828 /nfs/dbraw/zinc/79/58/28/572795828.db2.gz MKJAXMFHOMNDGK-NEPJUHHUSA-N 1 1 196.338 1.718 10 30 ADEEMO C#CC[C@H]([NH2+]CC)C(C)(F)F 307717877 572795911 /nfs/dbraw/zinc/79/59/11/572795911.db2.gz NWWZJKJULWZURB-ZETCQYMHSA-N 1 1 161.195 1.643 10 30 ADEEMO C#C[C@@H](NC)C(CC)(CC)[NH+](C)C 85750842 572796487 /nfs/dbraw/zinc/79/64/87/572796487.db2.gz KRRXIUGWNDONOV-SNVBAGLBSA-N 1 1 182.311 1.328 10 30 ADEEMO C#C[C@H]([NH2+]C)[C@@](C)(CC)N(CC)CC 85748221 572796517 /nfs/dbraw/zinc/79/65/17/572796517.db2.gz MKJAXMFHOMNDGK-NWDGAFQWSA-N 1 1 196.338 1.718 10 30 ADEEMO C#C[C@@H]([NH2+]C)[C@@](C)(CC)N1CCCC1 85749154 572796679 /nfs/dbraw/zinc/79/66/79/572796679.db2.gz WVHWCKUBUXLSDV-VXGBXAGGSA-N 1 1 194.322 1.472 10 30 ADEEMO C=CCC[N@@H+]1CCOCC[C@@H]1C 307746303 572797942 /nfs/dbraw/zinc/79/79/42/572797942.db2.gz VBHZVVFFCDCAIK-JTQLQIEISA-N 1 1 169.268 1.673 10 30 ADEEMO C#C[C@](C)(CC)[N@@H+]1CCC(=O)C[C@@H]1C 307733961 572797076 /nfs/dbraw/zinc/79/70/76/572797076.db2.gz OFAILMODCWWYRB-CMPLNLGQSA-N 1 1 193.290 1.842 10 30 ADEEMO C#C[C@](C)(CC)[N@H+]1CCC(=O)C[C@@H]1C 307733961 572797080 /nfs/dbraw/zinc/79/70/80/572797080.db2.gz OFAILMODCWWYRB-CMPLNLGQSA-N 1 1 193.290 1.842 10 30 ADEEMO C#C[C@@](C)(CC)[N@@H+]1CCC(=O)C[C@H]1C 307733965 572797952 /nfs/dbraw/zinc/79/79/52/572797952.db2.gz OFAILMODCWWYRB-PWSUYJOCSA-N 1 1 193.290 1.842 10 30 ADEEMO C#C[C@H]([NH2+]C)c1cccc(OC)c1F 306889965 572797158 /nfs/dbraw/zinc/79/71/58/572797158.db2.gz UNZVRJNZNHHKPF-VIFPVBQESA-N 1 1 193.221 1.728 10 30 ADEEMO C#C[C@@](C)(CC)[N@H+]1CCC(=O)C[C@H]1C 307733965 572797953 /nfs/dbraw/zinc/79/79/53/572797953.db2.gz OFAILMODCWWYRB-PWSUYJOCSA-N 1 1 193.290 1.842 10 30 ADEEMO C=CC[N@@H+]1CC[C@H](CSC)C1 307732631 572797416 /nfs/dbraw/zinc/79/74/16/572797416.db2.gz QAECPFJAQKMNQD-VIFPVBQESA-N 1 1 171.309 1.857 10 30 ADEEMO C#CC[N@H+]1C[C@H]2CCCCC[C@H]21 307758215 572798837 /nfs/dbraw/zinc/79/88/37/572798837.db2.gz NXVAQAFYKHPEFB-GHMZBOCLSA-N 1 1 163.264 1.884 10 30 ADEEMO C#C[C@@H](NCC)C1([NH+](C)C)CCCC1 85752133 572798843 /nfs/dbraw/zinc/79/88/43/572798843.db2.gz CQCQUNNQQSMFCG-LLVKDONJSA-N 1 1 194.322 1.472 10 30 ADEEMO C=C[C@@H](C)C[N@H+](C)C[C@H](O)CC 307938614 572799224 /nfs/dbraw/zinc/79/92/24/572799224.db2.gz SPKGPEYSTQBLFJ-NXEZZACHSA-N 1 1 171.284 1.511 10 30 ADEEMO C=CCC[N@H+](CC)[C@H](C)COC 307937939 572799259 /nfs/dbraw/zinc/79/92/59/572799259.db2.gz ASGKPIVDPNGCSB-SNVBAGLBSA-N 1 1 171.284 1.919 10 30 ADEEMO C#CC[C@H](NC)C(CC)(CC)[NH+](C)C 85750875 572799439 /nfs/dbraw/zinc/79/94/39/572799439.db2.gz YEVGISQXSXJJFF-NSHDSACASA-N 1 1 196.338 1.718 10 30 ADEEMO C[N@@H+](CCC1CC1)C[C@H]1CO1 307937636 572799516 /nfs/dbraw/zinc/79/95/16/572799516.db2.gz ZIIYAARLZMOVSW-VIFPVBQESA-N 1 1 155.241 1.117 10 30 ADEEMO C[N@@H+](CCC1CC1)C[C@@H]1CO1 307937635 572799575 /nfs/dbraw/zinc/79/95/75/572799575.db2.gz ZIIYAARLZMOVSW-SECBINFHSA-N 1 1 155.241 1.117 10 30 ADEEMO C#CC[N@H+](C)[C@@H]1C[C@@H](C)O[C@@H]1C 307738346 572799898 /nfs/dbraw/zinc/79/98/98/572799898.db2.gz WNLSJMDXPUPLMU-OPRDCNLKSA-N 1 1 167.252 1.117 10 30 ADEEMO C=CC[C@H]([NH3+])C1(N(C)C)CCCC1 85751910 572800148 /nfs/dbraw/zinc/80/01/48/572800148.db2.gz DCJNBJRKYOMFQT-JTQLQIEISA-N 1 1 182.311 1.764 10 30 ADEEMO C#CC[C@@H](NC)C(CC)(CC)[NH+](C)C 85750873 572800165 /nfs/dbraw/zinc/80/01/65/572800165.db2.gz YEVGISQXSXJJFF-LLVKDONJSA-N 1 1 196.338 1.718 10 30 ADEEMO C=C[C@H](C)C[N@H+](C)C[C@H](O)CC 307938615 572800343 /nfs/dbraw/zinc/80/03/43/572800343.db2.gz SPKGPEYSTQBLFJ-VHSXEESVSA-N 1 1 171.284 1.511 10 30 ADEEMO C=CCC[N@H+](C)CCC(C)=O 307937563 572800699 /nfs/dbraw/zinc/80/06/99/572800699.db2.gz ZALINSRFKAPFPC-UHFFFAOYSA-N 1 1 155.241 1.473 10 30 ADEEMO C#CCC[C@@H]([NH3+])C1(N(C)C)CCCC1 85751918 572800913 /nfs/dbraw/zinc/80/09/13/572800913.db2.gz AELABDMMUQVSKC-LLVKDONJSA-N 1 1 194.322 1.602 10 30 ADEEMO C#C[C@H](NCC)C(CC)(CC)[NH+](C)C 85750937 572801455 /nfs/dbraw/zinc/80/14/55/572801455.db2.gz FSVKPTNYVHXTTG-NSHDSACASA-N 1 1 196.338 1.718 10 30 ADEEMO C=CCC[N@H+](CC)[C@@H](C)COC 307937938 572801609 /nfs/dbraw/zinc/80/16/09/572801609.db2.gz ASGKPIVDPNGCSB-JTQLQIEISA-N 1 1 171.284 1.919 10 30 ADEEMO Cc1nc([NH+]=CN(C)C)sc1C 307938731 572801689 /nfs/dbraw/zinc/80/16/89/572801689.db2.gz RDAZVVTVELHSMS-UHFFFAOYSA-N 1 1 183.280 1.981 10 30 ADEEMO C#C[C@@H](NCC)C(CC)(CC)[NH+](C)C 85750934 572801753 /nfs/dbraw/zinc/80/17/53/572801753.db2.gz FSVKPTNYVHXTTG-LLVKDONJSA-N 1 1 196.338 1.718 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCS[C@@H](C)C1 307708294 572801797 /nfs/dbraw/zinc/80/17/97/572801797.db2.gz IUIJZXKEQJMSHQ-IUCAKERBSA-N 1 1 171.309 1.998 10 30 ADEEMO C=C[C@H](NC)C1([NH+](C)C)CCCC1 85751985 572801803 /nfs/dbraw/zinc/80/18/03/572801803.db2.gz BQYRCUQTYPEOFL-JTQLQIEISA-N 1 1 182.311 1.635 10 30 ADEEMO C#CCC[C@H]([NH3+])C1(N(C)C)CCCC1 85751920 572802049 /nfs/dbraw/zinc/80/20/49/572802049.db2.gz AELABDMMUQVSKC-NSHDSACASA-N 1 1 194.322 1.602 10 30 ADEEMO C#C[C@H](NCC)C1([NH+](C)C)CCCC1 85752131 572802482 /nfs/dbraw/zinc/80/24/82/572802482.db2.gz CQCQUNNQQSMFCG-NSHDSACASA-N 1 1 194.322 1.472 10 30 ADEEMO C=CC[C@@H]([NH3+])C1(N(C)C)CCCC1 85751908 572803240 /nfs/dbraw/zinc/80/32/40/572803240.db2.gz DCJNBJRKYOMFQT-SNVBAGLBSA-N 1 1 182.311 1.764 10 30 ADEEMO C=C[C@H](C)[N@H+]1C[C@H](O)CC[C@H]1C 306867342 572803430 /nfs/dbraw/zinc/80/34/30/572803430.db2.gz PFMJKAWJCDXXEL-IVZWLZJFSA-N 1 1 169.268 1.406 10 30 ADEEMO C=CCCCC[N@@H+]1CCC[C@@H]1CN 238554068 572803437 /nfs/dbraw/zinc/80/34/37/572803437.db2.gz BOCVEPBGRGNGIE-LLVKDONJSA-N 1 1 182.311 1.766 10 30 ADEEMO C=C[C@@H](NC)C1([NH+](C)C)CCCC1 85751987 572803519 /nfs/dbraw/zinc/80/35/19/572803519.db2.gz BQYRCUQTYPEOFL-SNVBAGLBSA-N 1 1 182.311 1.635 10 30 ADEEMO C#CC[NH2+][C@]1(CN)CC(C)(C)C[C@H]1C 235261983 572803694 /nfs/dbraw/zinc/80/36/94/572803694.db2.gz SFDISRQTUKFDDN-PWSUYJOCSA-N 1 1 194.322 1.363 10 30 ADEEMO C/N=C\c1[nH+]c(C)n2ccccc12 307940381 572803797 /nfs/dbraw/zinc/80/37/97/572803797.db2.gz WGKQBNCARPWHMW-XFFZJAGNSA-N 1 1 173.219 1.691 10 30 ADEEMO C#CC[C@H](CC)[NH2+][C@H](C)[C@H](C)N 308133297 572804578 /nfs/dbraw/zinc/80/45/78/572804578.db2.gz YRJQNNWTTVUERC-AEJSXWLSSA-N 1 1 168.284 1.114 10 30 ADEEMO C=C(C)C[N@H+](CC)[C@@H](C)[C@@H](C)O 307941429 572805263 /nfs/dbraw/zinc/80/52/63/572805263.db2.gz CPUQQUVGCPFRDG-VHSXEESVSA-N 1 1 171.284 1.654 10 30 ADEEMO C=C(C)C[N@H+](CC)[C@@H](C)[C@H](C)O 307941428 572805311 /nfs/dbraw/zinc/80/53/11/572805311.db2.gz CPUQQUVGCPFRDG-UWVGGRQHSA-N 1 1 171.284 1.654 10 30 ADEEMO C#CC[C@H](C)N[C@H]1CCC[NH2+][C@@H]1C 306870268 572805799 /nfs/dbraw/zinc/80/57/99/572805799.db2.gz SWPOQOMMFQHVBD-AXFHLTTASA-N 1 1 180.295 1.128 10 30 ADEEMO C=C(C[NH3+])C[N@H+](C)[C@H](C)CC 231596638 572806214 /nfs/dbraw/zinc/80/62/14/572806214.db2.gz BMEPMUJXOBRDFP-SECBINFHSA-N 1 1 156.273 1.232 10 30 ADEEMO C=C(CN)C[N@@H+](C)[C@H](C)CC 231596638 572806217 /nfs/dbraw/zinc/80/62/17/572806217.db2.gz BMEPMUJXOBRDFP-SECBINFHSA-N 1 1 156.273 1.232 10 30 ADEEMO C=C(CN)C[N@H+](C)[C@H](C)CC 231596638 572806221 /nfs/dbraw/zinc/80/62/21/572806221.db2.gz BMEPMUJXOBRDFP-SECBINFHSA-N 1 1 156.273 1.232 10 30 ADEEMO C#CC[C@H](CC)[NH2+][C@H](C)[C@@H](C)N 308133298 572806487 /nfs/dbraw/zinc/80/64/87/572806487.db2.gz YRJQNNWTTVUERC-BBBLOLIVSA-N 1 1 168.284 1.114 10 30 ADEEMO C#CC[C@H](CC)[NH2+][C@@H](C)[C@H](C)N 308133299 572806588 /nfs/dbraw/zinc/80/65/88/572806588.db2.gz YRJQNNWTTVUERC-GUBZILKMSA-N 1 1 168.284 1.114 10 30 ADEEMO C=C(C)CC[N@H+]1C[C@@H](C)[C@@H](N)C1 235359477 572806712 /nfs/dbraw/zinc/80/67/12/572806712.db2.gz ZJTACALKRBEYDD-ZJUUUORDSA-N 1 1 168.284 1.232 10 30 ADEEMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@@H](N)C1 235359477 572806716 /nfs/dbraw/zinc/80/67/16/572806716.db2.gz ZJTACALKRBEYDD-ZJUUUORDSA-N 1 1 168.284 1.232 10 30 ADEEMO C=C(C)C[N@H+](CC)[C@H](C)[C@H](C)O 307941430 572807103 /nfs/dbraw/zinc/80/71/03/572807103.db2.gz CPUQQUVGCPFRDG-ZJUUUORDSA-N 1 1 171.284 1.654 10 30 ADEEMO C#CC[N@H+](C)CCSCC(C)C 307941579 572807296 /nfs/dbraw/zinc/80/72/96/572807296.db2.gz CKPNACCMIRPWHN-UHFFFAOYSA-N 1 1 185.336 1.941 10 30 ADEEMO C#C[C@H](C)[NH2+][C@]1(CN)CCC[C@H]2C[C@H]21 306829190 572807527 /nfs/dbraw/zinc/80/75/27/572807527.db2.gz JIPUGFQXRDZWHQ-YFKTTZPYSA-N 1 1 192.306 1.115 10 30 ADEEMO C=C(C)C[N@H+](CC)[C@H](C)[C@@H](C)O 307941427 572807600 /nfs/dbraw/zinc/80/76/00/572807600.db2.gz CPUQQUVGCPFRDG-NXEZZACHSA-N 1 1 171.284 1.654 10 30 ADEEMO C=C(C)C[N@@H+](C)CCC1(O)CC1 308137135 572808021 /nfs/dbraw/zinc/80/80/21/572808021.db2.gz FASBTIQDMHJJCC-UHFFFAOYSA-N 1 1 169.268 1.409 10 30 ADEEMO C[C@H](C#N)C[N@@H+](C)C(C)(C)C 49804603 572808198 /nfs/dbraw/zinc/80/81/98/572808198.db2.gz OWXVYHVYVLVZNE-MRVPVSSYSA-N 1 1 154.257 1.876 10 30 ADEEMO C=CC[C@H](C)[NH2+]CC(F)(F)CO 307942225 572808629 /nfs/dbraw/zinc/80/86/29/572808629.db2.gz CYBXCSBCEAOPCT-ZETCQYMHSA-N 1 1 179.210 1.168 10 30 ADEEMO C=C(C)CC[N@H+](C)C[C@H](C)CO 307942563 572808649 /nfs/dbraw/zinc/80/86/49/572808649.db2.gz DGGBHXOAAIDAFG-JTQLQIEISA-N 1 1 171.284 1.513 10 30 ADEEMO C#CC[C@H](C)N[C@@H]1CCC[NH2+][C@@H]1C 306870271 572809705 /nfs/dbraw/zinc/80/97/05/572809705.db2.gz SWPOQOMMFQHVBD-HBNTYKKESA-N 1 1 180.295 1.128 10 30 ADEEMO C=C1CCN(C[C@@H](C)C[NH3+])CC1 306847930 572809747 /nfs/dbraw/zinc/80/97/47/572809747.db2.gz LWHKDWAGTWNAMH-JTQLQIEISA-N 1 1 168.284 1.233 10 30 ADEEMO CCOc1cc[nH+]cc1C[C@H]1CO1 308137212 572809920 /nfs/dbraw/zinc/80/99/20/572809920.db2.gz IVTCOBLQPBVFLX-VIFPVBQESA-N 1 1 179.219 1.422 10 30 ADEEMO CN(C)C=[NH+]c1cnc(Cl)cn1 307942470 572810194 /nfs/dbraw/zinc/81/01/94/572810194.db2.gz PYZWBMBWNWUSKR-UHFFFAOYSA-N 1 1 184.630 1.351 10 30 ADEEMO C=C(CNC)C[N@@H+](C)[C@H](C)CC 231596554 572810222 /nfs/dbraw/zinc/81/02/22/572810222.db2.gz HLARDRJRCCVKID-SNVBAGLBSA-N 1 1 170.300 1.492 10 30 ADEEMO C=C(CNC)C[N@H+](C)[C@H](C)CC 231596554 572810227 /nfs/dbraw/zinc/81/02/27/572810227.db2.gz HLARDRJRCCVKID-SNVBAGLBSA-N 1 1 170.300 1.492 10 30 ADEEMO C=C(C[NH2+]C)CN(C)[C@H](C)CC 231596554 572810231 /nfs/dbraw/zinc/81/02/31/572810231.db2.gz HLARDRJRCCVKID-SNVBAGLBSA-N 1 1 170.300 1.492 10 30 ADEEMO CCOc1cc[nH+]cc1C[C@@H]1CO1 308137211 572810389 /nfs/dbraw/zinc/81/03/89/572810389.db2.gz IVTCOBLQPBVFLX-SECBINFHSA-N 1 1 179.219 1.422 10 30 ADEEMO C#CCCC[N@H+](CC)C[C@@H](C)O 307942948 572810466 /nfs/dbraw/zinc/81/04/66/572810466.db2.gz DVZNGRGQPAFMQI-SNVBAGLBSA-N 1 1 169.268 1.103 10 30 ADEEMO C=C(C)CC[N@H+]1CC[C@@](C)(CO)C1 308138242 572810661 /nfs/dbraw/zinc/81/06/61/572810661.db2.gz AEEUJLTWKNRTAM-LLVKDONJSA-N 1 1 183.295 1.657 10 30 ADEEMO C#CCCC[N@H+](CC)C[C@H](C)O 307942947 572810868 /nfs/dbraw/zinc/81/08/68/572810868.db2.gz DVZNGRGQPAFMQI-JTQLQIEISA-N 1 1 169.268 1.103 10 30 ADEEMO C=CC[N@H+](CCO)C[Si](C)(C)C 308139016 572811650 /nfs/dbraw/zinc/81/16/50/572811650.db2.gz FZAWEWLXDROUAR-UHFFFAOYSA-N 1 1 187.359 1.344 10 30 ADEEMO C#CC[N@H+](CC[C@H](C)F)C1CC1 307945243 572811883 /nfs/dbraw/zinc/81/18/83/572811883.db2.gz ICNOGDLAINLOOR-VIFPVBQESA-N 1 1 169.243 1.832 10 30 ADEEMO C=C[C@H](C)[N@H+]1CC[C@H](O)C(C)(C)C1 306814036 572811906 /nfs/dbraw/zinc/81/19/06/572811906.db2.gz APJJPFHCHXLAAH-UWVGGRQHSA-N 1 1 183.295 1.654 10 30 ADEEMO C#C[C@@](C)(CC)Nc1[nH+]cccc1N 306828061 572812049 /nfs/dbraw/zinc/81/20/49/572812049.db2.gz ICDAHLHIESYKQW-NSHDSACASA-N 1 1 189.262 1.878 10 30 ADEEMO C#CC[N@H+](CC[C@@H](C)F)C1CC1 307945242 572812361 /nfs/dbraw/zinc/81/23/61/572812361.db2.gz ICNOGDLAINLOOR-SECBINFHSA-N 1 1 169.243 1.832 10 30 ADEEMO C[C@H](CC#N)[NH2+]Cc1ccc[nH]1 307944374 572812463 /nfs/dbraw/zinc/81/24/63/572812463.db2.gz GVNQKWASFSDLOK-MRVPVSSYSA-N 1 1 163.224 1.406 10 30 ADEEMO C=CCCC[C@@H](O)[C@H]1C[N@H+](C)CCO1 85793755 572813809 /nfs/dbraw/zinc/81/38/09/572813809.db2.gz OUWCFCHOQSRMPW-GHMZBOCLSA-N 1 1 199.294 1.034 10 30 ADEEMO C=CCCC[C@@H](O)[C@H]1C[N@@H+](C)CCO1 85793755 572813813 /nfs/dbraw/zinc/81/38/13/572813813.db2.gz OUWCFCHOQSRMPW-GHMZBOCLSA-N 1 1 199.294 1.034 10 30 ADEEMO C=CCCC[C@@H](O)[C@@H]1C[N@H+](C)CCO1 85793754 572813913 /nfs/dbraw/zinc/81/39/13/572813913.db2.gz OUWCFCHOQSRMPW-MNOVXSKESA-N 1 1 199.294 1.034 10 30 ADEEMO C=CCCC[C@@H](O)[C@@H]1C[N@@H+](C)CCO1 85793754 572813914 /nfs/dbraw/zinc/81/39/14/572813914.db2.gz OUWCFCHOQSRMPW-MNOVXSKESA-N 1 1 199.294 1.034 10 30 ADEEMO C=C(CC)C[C@H](O)[C@@H]1C[N@H+](C)CCO1 85793782 572814196 /nfs/dbraw/zinc/81/41/96/572814196.db2.gz PIDKXKGCYYXJKB-QWRGUYRKSA-N 1 1 199.294 1.034 10 30 ADEEMO C=C(CC)C[C@H](O)[C@@H]1C[N@@H+](C)CCO1 85793782 572814197 /nfs/dbraw/zinc/81/41/97/572814197.db2.gz PIDKXKGCYYXJKB-QWRGUYRKSA-N 1 1 199.294 1.034 10 30 ADEEMO C[C@@H](CC#N)[NH2+]Cc1ccc[nH]1 307944375 572814199 /nfs/dbraw/zinc/81/41/99/572814199.db2.gz GVNQKWASFSDLOK-QMMMGPOBSA-N 1 1 163.224 1.406 10 30 ADEEMO C#CC[C@H](C)N[C@@H]1CCC[NH2+][C@H]1C 306870270 572814706 /nfs/dbraw/zinc/81/47/06/572814706.db2.gz SWPOQOMMFQHVBD-GARJFASQSA-N 1 1 180.295 1.128 10 30 ADEEMO C=C[C@@H](C)[N@@H+](C)C[C@@H]1CCCO1 307946520 572815193 /nfs/dbraw/zinc/81/51/93/572815193.db2.gz JTLMLSDJQWSGNZ-ZJUUUORDSA-N 1 1 169.268 1.672 10 30 ADEEMO C=C[C@H](C)[N@@H+](C)C[C@@H]1CCCO1 307946519 572816121 /nfs/dbraw/zinc/81/61/21/572816121.db2.gz JTLMLSDJQWSGNZ-UWVGGRQHSA-N 1 1 169.268 1.672 10 30 ADEEMO C=C[C@H](CC[NH+](CC)CC)NC 85795537 572818099 /nfs/dbraw/zinc/81/80/99/572818099.db2.gz VFVOYUCCBWYUOH-SNVBAGLBSA-N 1 1 170.300 1.492 10 30 ADEEMO C=C(C(=O)C[NH+](C)C)C(F)(F)F 308135395 572818131 /nfs/dbraw/zinc/81/81/31/572818131.db2.gz ZOYZOVZXYYNCMP-UHFFFAOYSA-N 1 1 181.157 1.236 10 30 ADEEMO C=CCO[C@@H]1CC[N@H+](CC(C)C)C1 308135017 572818276 /nfs/dbraw/zinc/81/82/76/572818276.db2.gz DRSXRZIBBNJJIO-LLVKDONJSA-N 1 1 183.295 1.919 10 30 ADEEMO C=C[C@H](C)[N@H+](C)CCOC(C)C 307946958 572818313 /nfs/dbraw/zinc/81/83/13/572818313.db2.gz KISUJHSADCRUBN-JTQLQIEISA-N 1 1 171.284 1.918 10 30 ADEEMO C=CCCCC[NH2+]CCCN(C)C 308135893 572818415 /nfs/dbraw/zinc/81/84/15/572818415.db2.gz IDPQOZCRHDPLJM-UHFFFAOYSA-N 1 1 184.327 1.884 10 30 ADEEMO C=C[C@@H](N)CC[NH+](CC)CC 85795059 572818458 /nfs/dbraw/zinc/81/84/58/572818458.db2.gz SBKDUTDQGZHAHF-SECBINFHSA-N 1 1 156.273 1.232 10 30 ADEEMO C=C[C@H](C)[N@H+](C)C[C@H](O)C(F)(F)F 308135042 572818512 /nfs/dbraw/zinc/81/85/12/572818512.db2.gz DSKHYLGSWIIWMA-BQBZGAKWSA-N 1 1 197.200 1.416 10 30 ADEEMO C=C[C@H](C)[N@@H+](C)C[C@H](O)C(F)(F)F 308135042 572818518 /nfs/dbraw/zinc/81/85/18/572818518.db2.gz DSKHYLGSWIIWMA-BQBZGAKWSA-N 1 1 197.200 1.416 10 30 ADEEMO C=C(C)C[N@H+](C)C[C@@](C)(O)C(C)C 308135489 572818527 /nfs/dbraw/zinc/81/85/27/572818527.db2.gz FBCSSDIFBPXQTK-LLVKDONJSA-N 1 1 185.311 1.901 10 30 ADEEMO C=CCNN=C1CC[N@H+](C(C)C)C1 308135444 572818589 /nfs/dbraw/zinc/81/85/89/572818589.db2.gz DYKGERMJUFHQGX-UHFFFAOYSA-N 1 1 181.283 1.232 10 30 ADEEMO C=C[C@H](CC[NH+](CC)CC)NCC 85795813 572818793 /nfs/dbraw/zinc/81/87/93/572818793.db2.gz VTFDGMMRFHYTTG-LLVKDONJSA-N 1 1 184.327 1.882 10 30 ADEEMO C=C(C)C[N@H+](C)C[C@](C)(O)C(C)C 308135490 572818971 /nfs/dbraw/zinc/81/89/71/572818971.db2.gz FBCSSDIFBPXQTK-NSHDSACASA-N 1 1 185.311 1.901 10 30 ADEEMO C=C[C@H](C)[N@H+](C)C[C@@H](O)C(F)(F)F 308135044 572819241 /nfs/dbraw/zinc/81/92/41/572819241.db2.gz DSKHYLGSWIIWMA-NKWVEPMBSA-N 1 1 197.200 1.416 10 30 ADEEMO C=C[C@H](C)[N@@H+](C)C[C@@H](O)C(F)(F)F 308135044 572819245 /nfs/dbraw/zinc/81/92/45/572819245.db2.gz DSKHYLGSWIIWMA-NKWVEPMBSA-N 1 1 197.200 1.416 10 30 ADEEMO C=C[C@@H](CC[NH+](CC)CC)NCC 85795815 572819414 /nfs/dbraw/zinc/81/94/14/572819414.db2.gz VTFDGMMRFHYTTG-NSHDSACASA-N 1 1 184.327 1.882 10 30 ADEEMO C=CCCCC[N@@H+]1CCC[C@H]1CN 238559191 572820545 /nfs/dbraw/zinc/82/05/45/572820545.db2.gz BOCVEPBGRGNGIE-NSHDSACASA-N 1 1 182.311 1.766 10 30 ADEEMO C/C(CC(C)C)=[NH+]/CCOCCO 393560857 572819655 /nfs/dbraw/zinc/81/96/55/572819655.db2.gz ASUYVVXLZRWREJ-KHPPLWFESA-N 1 1 187.283 1.502 10 30 ADEEMO C#CC[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C 306961134 572819746 /nfs/dbraw/zinc/81/97/46/572819746.db2.gz JDMUJPJZJLLRGP-JGVFFNPUSA-N 1 1 191.196 1.892 10 30 ADEEMO C=C1CN2CCCC[C@H]2C[N@@H+]1CC 306808022 572819759 /nfs/dbraw/zinc/81/97/59/572819759.db2.gz NWOFOKKLFKDGHY-NSHDSACASA-N 1 1 180.295 1.690 10 30 ADEEMO C=C1C[N@H+]2CCCC[C@H]2CN1CC 306808022 572819761 /nfs/dbraw/zinc/81/97/61/572819761.db2.gz NWOFOKKLFKDGHY-NSHDSACASA-N 1 1 180.295 1.690 10 30 ADEEMO C=C1C[N@@H+]2CCCC[C@H]2CN1CC 306808022 572819766 /nfs/dbraw/zinc/81/97/66/572819766.db2.gz NWOFOKKLFKDGHY-NSHDSACASA-N 1 1 180.295 1.690 10 30 ADEEMO C=C[C@@H](C)[N@H+](C)C[C@@H](O)C(F)(F)F 308135045 572820170 /nfs/dbraw/zinc/82/01/70/572820170.db2.gz DSKHYLGSWIIWMA-RNFRBKRXSA-N 1 1 197.200 1.416 10 30 ADEEMO C=C[C@@H](C)[N@@H+](C)C[C@@H](O)C(F)(F)F 308135045 572820175 /nfs/dbraw/zinc/82/01/75/572820175.db2.gz DSKHYLGSWIIWMA-RNFRBKRXSA-N 1 1 197.200 1.416 10 30 ADEEMO C#CCC[N@@H+]1CCOCC[C@H]1C 306918565 572820191 /nfs/dbraw/zinc/82/01/91/572820191.db2.gz COXQZRRIXGVIJF-SNVBAGLBSA-N 1 1 167.252 1.121 10 30 ADEEMO C=C[C@@H](C)[N@H+](C)CCOC(C)C 307946960 572820238 /nfs/dbraw/zinc/82/02/38/572820238.db2.gz KISUJHSADCRUBN-SNVBAGLBSA-N 1 1 171.284 1.918 10 30 ADEEMO C=C[C@H](C)[N@H+]1CC[C@H]2C[C@H]21 306924980 572821609 /nfs/dbraw/zinc/82/16/09/572821609.db2.gz KXDXIYNCCIJYNU-XHNCKOQMSA-N 1 1 137.226 1.655 10 30 ADEEMO C=C1CCN(C[C@H](C)C[NH3+])CC1 306847931 572821729 /nfs/dbraw/zinc/82/17/29/572821729.db2.gz LWHKDWAGTWNAMH-SNVBAGLBSA-N 1 1 168.284 1.233 10 30 ADEEMO CCCC(N)=[NH+]OC[C@H](F)CC 307948131 572822033 /nfs/dbraw/zinc/82/20/33/572822033.db2.gz AHANZKWIOPIYKS-SSDOTTSWSA-N 1 1 176.235 1.823 10 30 ADEEMO CCCC(N)=[NH+]OC[C@@H](F)CC 307948132 572822413 /nfs/dbraw/zinc/82/24/13/572822413.db2.gz AHANZKWIOPIYKS-ZETCQYMHSA-N 1 1 176.235 1.823 10 30 ADEEMO C#CCCC[C@@]1(O)CC[N@H+](C)C[C@H]1C 306988759 572822462 /nfs/dbraw/zinc/82/24/62/572822462.db2.gz BCEKLVMKAIEPRH-VXGBXAGGSA-N 1 1 195.306 1.493 10 30 ADEEMO C#CCCC[C@@]1(O)CC[N@H+](C)C[C@@H]1C 306988754 572822565 /nfs/dbraw/zinc/82/25/65/572822565.db2.gz BCEKLVMKAIEPRH-NWDGAFQWSA-N 1 1 195.306 1.493 10 30 ADEEMO C#CC[N@@H+](C)Cc1cc(F)ccc1N 306835631 572822637 /nfs/dbraw/zinc/82/26/37/572822637.db2.gz SSGCDXVGHUSNOJ-UHFFFAOYSA-N 1 1 192.237 1.473 10 30 ADEEMO C#CC[N@H+](C)Cc1cc(F)ccc1N 306835631 572822641 /nfs/dbraw/zinc/82/26/41/572822641.db2.gz SSGCDXVGHUSNOJ-UHFFFAOYSA-N 1 1 192.237 1.473 10 30 ADEEMO C=C[C@H](C)[N@H+]1C[C@@H](O)CC[C@@H]1C 306867341 572822784 /nfs/dbraw/zinc/82/27/84/572822784.db2.gz PFMJKAWJCDXXEL-GUBZILKMSA-N 1 1 169.268 1.406 10 30 ADEEMO C=C[C@H](C)[N@H+]1CC[C@@H](CO)[C@H]1C 306997356 572824333 /nfs/dbraw/zinc/82/43/33/572824333.db2.gz VYALGJVWBBLJHM-AEJSXWLSSA-N 1 1 169.268 1.264 10 30 ADEEMO C=C(C)C[N@H+](C)[C@@H]1CN(C)C[C@@H]1C 306991772 572824438 /nfs/dbraw/zinc/82/44/38/572824438.db2.gz KQVGNPSTAVLDKZ-WDEREUQCSA-N 1 1 182.311 1.444 10 30 ADEEMO C=C(C)CN(C)[C@@H]1C[N@@H+](C)C[C@@H]1C 306991772 572824442 /nfs/dbraw/zinc/82/44/42/572824442.db2.gz KQVGNPSTAVLDKZ-WDEREUQCSA-N 1 1 182.311 1.444 10 30 ADEEMO C=C(C)CN(C)[C@@H]1C[N@H+](C)C[C@@H]1C 306991772 572824445 /nfs/dbraw/zinc/82/44/45/572824445.db2.gz KQVGNPSTAVLDKZ-WDEREUQCSA-N 1 1 182.311 1.444 10 30 ADEEMO C#CCCC[C@]1(O)CC[N@H+](C)C[C@H]1C 306988751 572825009 /nfs/dbraw/zinc/82/50/09/572825009.db2.gz BCEKLVMKAIEPRH-NEPJUHHUSA-N 1 1 195.306 1.493 10 30 ADEEMO C=CC[N@@H+]1CCC[C@](C)(CO)C1 306805701 572826397 /nfs/dbraw/zinc/82/63/97/572826397.db2.gz ANLBSIQJXOCAQY-JTQLQIEISA-N 1 1 169.268 1.267 10 30 ADEEMO C=C(C)C[N@H+](C)[C@H]1CN(C)C[C@H]1C 306991770 572825197 /nfs/dbraw/zinc/82/51/97/572825197.db2.gz KQVGNPSTAVLDKZ-MNOVXSKESA-N 1 1 182.311 1.444 10 30 ADEEMO C=C(C)CN(C)[C@H]1C[N@@H+](C)C[C@H]1C 306991770 572825201 /nfs/dbraw/zinc/82/52/01/572825201.db2.gz KQVGNPSTAVLDKZ-MNOVXSKESA-N 1 1 182.311 1.444 10 30 ADEEMO C=C(C)CN(C)[C@H]1C[N@H+](C)C[C@H]1C 306991770 572825203 /nfs/dbraw/zinc/82/52/03/572825203.db2.gz KQVGNPSTAVLDKZ-MNOVXSKESA-N 1 1 182.311 1.444 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCN(C)[C@H](C)C1 306966192 572825241 /nfs/dbraw/zinc/82/52/41/572825241.db2.gz OCIARDJHLPPGIK-NXEZZACHSA-N 1 1 168.284 1.197 10 30 ADEEMO C=C[C@@H](C)N1CC[N@H+](C)[C@H](C)C1 306966192 572825244 /nfs/dbraw/zinc/82/52/44/572825244.db2.gz OCIARDJHLPPGIK-NXEZZACHSA-N 1 1 168.284 1.197 10 30 ADEEMO C=C[C@@H](C)N1CC[N@@H+](C)[C@H](C)C1 306966192 572825247 /nfs/dbraw/zinc/82/52/47/572825247.db2.gz OCIARDJHLPPGIK-NXEZZACHSA-N 1 1 168.284 1.197 10 30 ADEEMO C=C1CN(C(C)C)C[C@@H]2CCC[N@@H+]12 306982457 572825356 /nfs/dbraw/zinc/82/53/56/572825356.db2.gz RTHVYOARTIUNPY-NSHDSACASA-N 1 1 180.295 1.689 10 30 ADEEMO C#CC[N@H+](C)[C@H](C)C1CCC1 306998977 572825684 /nfs/dbraw/zinc/82/56/84/572825684.db2.gz YUATUYHTMQESNG-SECBINFHSA-N 1 1 151.253 1.740 10 30 ADEEMO C=C(CN)C[N@@H+](CC)C[C@H](C)CC 231619984 572825626 /nfs/dbraw/zinc/82/56/26/572825626.db2.gz WPIWTBDWQQXQGB-SNVBAGLBSA-N 1 1 184.327 1.869 10 30 ADEEMO C#CC(C)(C)[N@H+](C)CCCOC 308141495 572826428 /nfs/dbraw/zinc/82/64/28/572826428.db2.gz HQJKQUSZUSLSQJ-UHFFFAOYSA-N 1 1 169.268 1.367 10 30 ADEEMO C=C(CN)C[N@H+](CC)C[C@H](C)CC 231619984 572825630 /nfs/dbraw/zinc/82/56/30/572825630.db2.gz WPIWTBDWQQXQGB-SNVBAGLBSA-N 1 1 184.327 1.869 10 30 ADEEMO C=C(C)C[NH2+][C@@H]1CC[C@H](C)NC1 306913489 572825766 /nfs/dbraw/zinc/82/57/66/572825766.db2.gz TZKCQMABCPFOQK-VHSXEESVSA-N 1 1 168.284 1.293 10 30 ADEEMO C=C(CN)C[N@H+](CC1CC1)C1CC1 231618559 572826071 /nfs/dbraw/zinc/82/60/71/572826071.db2.gz BGNUZECWZVQUHY-UHFFFAOYSA-N 1 1 180.295 1.376 10 30 ADEEMO C=C(CN)C[N@@H+](CC1CC1)C1CC1 231618559 572826074 /nfs/dbraw/zinc/82/60/74/572826074.db2.gz BGNUZECWZVQUHY-UHFFFAOYSA-N 1 1 180.295 1.376 10 30 ADEEMO C=C(C[NH3+])CN(CC1CC1)C1CC1 231618559 572826079 /nfs/dbraw/zinc/82/60/79/572826079.db2.gz BGNUZECWZVQUHY-UHFFFAOYSA-N 1 1 180.295 1.376 10 30 ADEEMO C#CCCC[N@@H+]1C[C@H](O)CC[C@@H]1C 306908442 572826249 /nfs/dbraw/zinc/82/62/49/572826249.db2.gz OCCDUMKSLYANBO-WDEREUQCSA-N 1 1 181.279 1.245 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCC[C@](C)(CO)C1 306956235 572827782 /nfs/dbraw/zinc/82/77/82/572827782.db2.gz RFIAAVKKGOLPKM-MNOVXSKESA-N 1 1 183.295 1.655 10 30 ADEEMO C=CCCCC[N@@H+]1CC[C@H](C[NH3+])C1 238557428 572826624 /nfs/dbraw/zinc/82/66/24/572826624.db2.gz STORWMJBJKOHKV-LLVKDONJSA-N 1 1 182.311 1.623 10 30 ADEEMO C#CC[N@@H+](C)Cc1cc(Cl)cn1C 306952216 572826705 /nfs/dbraw/zinc/82/67/05/572826705.db2.gz HATXLXWEOXZGRU-UHFFFAOYSA-N 1 1 196.681 1.744 10 30 ADEEMO C#CC[N@H+](C)Cc1cc(Cl)cn1C 306952216 572826711 /nfs/dbraw/zinc/82/67/11/572826711.db2.gz HATXLXWEOXZGRU-UHFFFAOYSA-N 1 1 196.681 1.744 10 30 ADEEMO C#CC[N@H+](C)[C@@H](C)C1(C)CC1 306953402 572827805 /nfs/dbraw/zinc/82/78/05/572827805.db2.gz ICWMZJYWHKLBNE-VIFPVBQESA-N 1 1 151.253 1.740 10 30 ADEEMO C=C(C)C[N@@H+]1CCOCC[C@H]1C 306951981 572826935 /nfs/dbraw/zinc/82/69/35/572826935.db2.gz CPBSDCUELYGROA-SNVBAGLBSA-N 1 1 169.268 1.673 10 30 ADEEMO C#CCC[N@H+]1CC[C@H](C)[C@H](OC)C1 299894087 572827243 /nfs/dbraw/zinc/82/72/43/572827243.db2.gz SIGBIMJPCJTAKW-WDEREUQCSA-N 1 1 181.279 1.367 10 30 ADEEMO C#C[C@@](C)(CC)N1CCC[NH2+][C@H](C)C1 307000015 572827534 /nfs/dbraw/zinc/82/75/34/572827534.db2.gz BJRDHVPNJUVWTA-NEPJUHHUSA-N 1 1 194.322 1.472 10 30 ADEEMO C#C[C@@H]([NH2+]CC#CC)c1ccccc1 306993323 572827630 /nfs/dbraw/zinc/82/76/30/572827630.db2.gz YYZAVMGLFCPIKS-CYBMUJFWSA-N 1 1 183.254 1.974 10 30 ADEEMO C#C[C@](C)(CC)N1CCC[NH2+][C@H](C)C1 307000031 572827848 /nfs/dbraw/zinc/82/78/48/572827848.db2.gz BJRDHVPNJUVWTA-VXGBXAGGSA-N 1 1 194.322 1.472 10 30 ADEEMO C#CCC[N@H+]1CC[C@@H](C)[C@H](OC)C1 299894086 572828573 /nfs/dbraw/zinc/82/85/73/572828573.db2.gz SIGBIMJPCJTAKW-GHMZBOCLSA-N 1 1 181.279 1.367 10 30 ADEEMO C#C[C@](C)(CC)[N@@H+]1CCNC(C)(C)C1 306979310 572828838 /nfs/dbraw/zinc/82/88/38/572828838.db2.gz DKRFKARPFODNRV-GFCCVEGCSA-N 1 1 194.322 1.472 10 30 ADEEMO C#C[C@](C)(CC)[N@H+]1CCNC(C)(C)C1 306979310 572828841 /nfs/dbraw/zinc/82/88/41/572828841.db2.gz DKRFKARPFODNRV-GFCCVEGCSA-N 1 1 194.322 1.472 10 30 ADEEMO CC#CC[N@H+]1CCCC[C@H](F)C1 306928049 572828929 /nfs/dbraw/zinc/82/89/29/572828929.db2.gz WNYJGJSOSQTVDC-JTQLQIEISA-N 1 1 169.243 1.834 10 30 ADEEMO CC#CC[NH2+][C@@](C)(CN)[C@H](C)CC 308141697 572829097 /nfs/dbraw/zinc/82/90/97/572829097.db2.gz LNNMRONDSNGNMP-MNOVXSKESA-N 1 1 182.311 1.363 10 30 ADEEMO CC#CC[NH2+][C@](C)(CN)[C@@H](C)CC 308141700 572829442 /nfs/dbraw/zinc/82/94/42/572829442.db2.gz LNNMRONDSNGNMP-WDEREUQCSA-N 1 1 182.311 1.363 10 30 ADEEMO C=C(CNC)C[N@H+]1CC[C@@H](CC)C1 231622021 572829458 /nfs/dbraw/zinc/82/94/58/572829458.db2.gz YEOSYTASTMGXNL-LLVKDONJSA-N 1 1 182.311 1.494 10 30 ADEEMO C=C(CNC)C[N@@H+]1CC[C@@H](CC)C1 231622021 572829461 /nfs/dbraw/zinc/82/94/61/572829461.db2.gz YEOSYTASTMGXNL-LLVKDONJSA-N 1 1 182.311 1.494 10 30 ADEEMO C#CCCC[N@@H+]1C[C@@H](O)CC[C@@H]1C 306908440 572829475 /nfs/dbraw/zinc/82/94/75/572829475.db2.gz OCCDUMKSLYANBO-QWRGUYRKSA-N 1 1 181.279 1.245 10 30 ADEEMO C=C(C)CC[N@@H+]1CCNC[C@@H](C)C1 306964972 572829810 /nfs/dbraw/zinc/82/98/10/572829810.db2.gz DXDJDFJGRBRXSF-LLVKDONJSA-N 1 1 182.311 1.494 10 30 ADEEMO C=C(C)CCN1CC[NH2+]C[C@@H](C)C1 306964972 572829812 /nfs/dbraw/zinc/82/98/12/572829812.db2.gz DXDJDFJGRBRXSF-LLVKDONJSA-N 1 1 182.311 1.494 10 30 ADEEMO C=C(CN)C[N@H+]1C[C@H](C)[C@H](C)[C@@H]1C 306932129 572829929 /nfs/dbraw/zinc/82/99/29/572829929.db2.gz CHPOUDWXOWAFMT-DCAQKATOSA-N 1 1 182.311 1.478 10 30 ADEEMO C=C(CN)C[N@@H+]1C[C@H](C)[C@H](C)[C@@H]1C 306932129 572829930 /nfs/dbraw/zinc/82/99/30/572829930.db2.gz CHPOUDWXOWAFMT-DCAQKATOSA-N 1 1 182.311 1.478 10 30 ADEEMO CCC[N@@H+](C)CCNCC1(C#N)CC1 688691264 572829939 /nfs/dbraw/zinc/82/99/39/572829939.db2.gz ZJEMEJBRXAXEDU-UHFFFAOYSA-N 1 1 195.310 1.222 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)Cc1ccc[nH]1 306968185 572830137 /nfs/dbraw/zinc/83/01/37/572830137.db2.gz QQRBNFGUIAHMGS-VIFPVBQESA-N 1 1 162.236 1.468 10 30 ADEEMO C#CC[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 306934125 572830162 /nfs/dbraw/zinc/83/01/62/572830162.db2.gz DXQJAQRWRDBQGV-MNOVXSKESA-N 1 1 179.263 1.121 10 30 ADEEMO CC#CC[NH2+][C@@](C)(CN)[C@@H](C)CC 308141699 572830203 /nfs/dbraw/zinc/83/02/03/572830203.db2.gz LNNMRONDSNGNMP-QWRGUYRKSA-N 1 1 182.311 1.363 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCOC[C@H]1C 306926747 572830735 /nfs/dbraw/zinc/83/07/35/572830735.db2.gz QXZCPOAUJMENFE-DTWKUNHWSA-N 1 1 155.241 1.282 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCO[C@H]2CCC[C@@H]21 306996823 572830746 /nfs/dbraw/zinc/83/07/46/572830746.db2.gz UDXGIWFZAQIGML-DCAQKATOSA-N 1 1 181.279 1.814 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCOC[C@@H]1C 306926746 572830796 /nfs/dbraw/zinc/83/07/96/572830796.db2.gz QXZCPOAUJMENFE-BDAKNGLRSA-N 1 1 155.241 1.282 10 30 ADEEMO CC#CCN[C@@H]1C[N@@H+](C2CC2)C[C@H]1C 306924614 572831114 /nfs/dbraw/zinc/83/11/14/572831114.db2.gz JXRVJFTZQCGVLC-ZYHUDNBSSA-N 1 1 192.306 1.082 10 30 ADEEMO CC#CCN[C@@H]1C[N@H+](C2CC2)C[C@H]1C 306924614 572831118 /nfs/dbraw/zinc/83/11/18/572831118.db2.gz JXRVJFTZQCGVLC-ZYHUDNBSSA-N 1 1 192.306 1.082 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCCO[C@@H](C)C1 306999271 572831278 /nfs/dbraw/zinc/83/12/78/572831278.db2.gz ZRRGAKQWDHAWLJ-UWVGGRQHSA-N 1 1 169.268 1.672 10 30 ADEEMO CC#CC[N@H+]1CCCC[C@@H](F)C1 306928050 572831535 /nfs/dbraw/zinc/83/15/35/572831535.db2.gz WNYJGJSOSQTVDC-SNVBAGLBSA-N 1 1 169.243 1.834 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCOC[C@@H]1C 306926748 572831637 /nfs/dbraw/zinc/83/16/37/572831637.db2.gz QXZCPOAUJMENFE-IUCAKERBSA-N 1 1 155.241 1.282 10 30 ADEEMO C[NH2+]C1CCC(N(C)CCC#N)CC1 85873539 572831650 /nfs/dbraw/zinc/83/16/50/572831650.db2.gz OTHFTTHAXGQPKN-UHFFFAOYSA-N 1 1 195.310 1.362 10 30 ADEEMO C=C(CNC)C[N@@H+]1CC[C@H](C(C)C)C1 231621979 572832058 /nfs/dbraw/zinc/83/20/58/572832058.db2.gz USNGKVUZNBMNAQ-LBPRGKRZSA-N 1 1 196.338 1.740 10 30 ADEEMO C=C(CNC)C[N@H+]1CC[C@H](C(C)C)C1 231621979 572832062 /nfs/dbraw/zinc/83/20/62/572832062.db2.gz USNGKVUZNBMNAQ-LBPRGKRZSA-N 1 1 196.338 1.740 10 30 ADEEMO C#C[C@H]([NH2+][C@H]1CCCN[C@H]1C)C(C)C 306938976 572832163 /nfs/dbraw/zinc/83/21/63/572832163.db2.gz KFTXUDWPHSOMGW-SRVKXCTJSA-N 1 1 194.322 1.374 10 30 ADEEMO C[N@@H+](CCCC#N)C1CCC(=O)CC1 85871775 572832723 /nfs/dbraw/zinc/83/27/23/572832723.db2.gz KNIGBAGOVGQPDZ-UHFFFAOYSA-N 1 1 194.278 1.734 10 30 ADEEMO C#CC[N@@H+]1CCC[C@H](OC)CC1 306923967 572832724 /nfs/dbraw/zinc/83/27/24/572832724.db2.gz HMZPYZWREFGFDN-JTQLQIEISA-N 1 1 167.252 1.121 10 30 ADEEMO C=CCCCNC[C@H]1CCC[NH2+]1 307955210 572833272 /nfs/dbraw/zinc/83/32/72/572833272.db2.gz DZMGUZXAYAIQTJ-SNVBAGLBSA-N 1 1 168.284 1.294 10 30 ADEEMO C=C[C@H](C)[N@H+]1CC[C@H](C)[C@@H](O)C1 299891074 572833453 /nfs/dbraw/zinc/83/34/53/572833453.db2.gz FTXQKOALULDRLL-GUBZILKMSA-N 1 1 169.268 1.264 10 30 ADEEMO C=C[C@H](C)[N@H+]1CC[C@H](CO)[C@H]1C 306997358 572833479 /nfs/dbraw/zinc/83/34/79/572833479.db2.gz VYALGJVWBBLJHM-IVZWLZJFSA-N 1 1 169.268 1.264 10 30 ADEEMO C#CCC[N@@H+]1CCOCC[C@@H]1C 306918564 572833610 /nfs/dbraw/zinc/83/36/10/572833610.db2.gz COXQZRRIXGVIJF-JTQLQIEISA-N 1 1 167.252 1.121 10 30 ADEEMO C=C(CN)C[N@H+]1C[C@H](C)[C@@H](C)[C@H]1C 306932139 572833788 /nfs/dbraw/zinc/83/37/88/572833788.db2.gz CHPOUDWXOWAFMT-HBNTYKKESA-N 1 1 182.311 1.478 10 30 ADEEMO C=C(CN)C[N@@H+]1C[C@H](C)[C@@H](C)[C@H]1C 306932139 572833795 /nfs/dbraw/zinc/83/37/95/572833795.db2.gz CHPOUDWXOWAFMT-HBNTYKKESA-N 1 1 182.311 1.478 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCC[C@@](C)(CO)C1 306956234 572834968 /nfs/dbraw/zinc/83/49/68/572834968.db2.gz RFIAAVKKGOLPKM-GHMZBOCLSA-N 1 1 183.295 1.655 10 30 ADEEMO CC#CC[C@@H](O)Cn1c[nH+]c(C)c1C 306921916 572833909 /nfs/dbraw/zinc/83/39/09/572833909.db2.gz SMOZZGXSPLXPSS-LLVKDONJSA-N 1 1 192.262 1.274 10 30 ADEEMO C=CCCCNC[C@@H]1CCC[NH2+]1 307955209 572834309 /nfs/dbraw/zinc/83/43/09/572834309.db2.gz DZMGUZXAYAIQTJ-JTQLQIEISA-N 1 1 168.284 1.294 10 30 ADEEMO CC#CC[N@H+]1CCS[C@H]2CCC[C@H]21 306931229 572834021 /nfs/dbraw/zinc/83/40/21/572834021.db2.gz BVJJPZXQEAHSLN-MNOVXSKESA-N 1 1 195.331 1.980 10 30 ADEEMO C#CC[C@@H]([NH3+])c1nnc(CCC=C)o1 238583872 572834437 /nfs/dbraw/zinc/83/44/37/572834437.db2.gz YRQKLNQPSWUHBE-MRVPVSSYSA-N 1 1 191.234 1.211 10 30 ADEEMO C=C[C@H](C)[N@H+]1CC[C@H](C)[C@H](O)C1 299891076 572834571 /nfs/dbraw/zinc/83/45/71/572834571.db2.gz FTXQKOALULDRLL-LPEHRKFASA-N 1 1 169.268 1.264 10 30 ADEEMO O=CCC[N@H+]1C[C@H]2CCCCC[C@@H]21 687933395 572834746 /nfs/dbraw/zinc/83/47/46/572834746.db2.gz KEBOEMBROZLCCW-MNOVXSKESA-N 1 1 181.279 1.840 10 30 ADEEMO O=CCC[N@H+]1C[C@@H]2CCCCC[C@H]21 687933399 572834846 /nfs/dbraw/zinc/83/48/46/572834846.db2.gz KEBOEMBROZLCCW-WDEREUQCSA-N 1 1 181.279 1.840 10 30 ADEEMO C=C[C@H](C)[N@H+]1CC[C@@H](C)[C@H](O)C1 299891075 572834955 /nfs/dbraw/zinc/83/49/55/572834955.db2.gz FTXQKOALULDRLL-KXUCPTDWSA-N 1 1 169.268 1.264 10 30 ADEEMO CC#CCCCC[N@@H+](C)CCO 307955129 572834976 /nfs/dbraw/zinc/83/49/76/572834976.db2.gz DURWJYQVXILPBY-UHFFFAOYSA-N 1 1 169.268 1.104 10 30 ADEEMO C#CC[C@@H]([NH3+])c1nnc(CC2CC2)o1 238584064 572835019 /nfs/dbraw/zinc/83/50/19/572835019.db2.gz HANSJXFFPKUWMK-MRVPVSSYSA-N 1 1 191.234 1.045 10 30 ADEEMO C=CCCc1nnc([C@H]([NH3+])CS)o1 238582883 572835239 /nfs/dbraw/zinc/83/52/39/572835239.db2.gz KBFDLERGNQBKRP-ZCFIWIBFSA-N 1 1 199.279 1.118 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCCO[C@@H](C)C1 306999273 572835365 /nfs/dbraw/zinc/83/53/65/572835365.db2.gz ZRRGAKQWDHAWLJ-ZJUUUORDSA-N 1 1 169.268 1.672 10 30 ADEEMO C#CC[N@@H+]1CC[C@@H](C(F)(F)F)[C@H]1C 306961124 572835393 /nfs/dbraw/zinc/83/53/93/572835393.db2.gz JDMUJPJZJLLRGP-HTQZYQBOSA-N 1 1 191.196 1.892 10 30 ADEEMO C#C[C@H](CC)[N@H+]1CCCC[C@H](C[NH3+])C1 306997363 572836012 /nfs/dbraw/zinc/83/60/12/572836012.db2.gz VYDMMQDNOUWMAU-VXGBXAGGSA-N 1 1 194.322 1.459 10 30 ADEEMO C=CCOC(=O)c1c[nH+]ccc1N 118420319 572836113 /nfs/dbraw/zinc/83/61/13/572836113.db2.gz IUXQXQQFRBVPRA-UHFFFAOYSA-N 1 1 178.191 1.007 10 30 ADEEMO C=C[C@@H](C)[N@H+](C)C[C@@H]1CCN(C)C1 308143322 572836118 /nfs/dbraw/zinc/83/61/18/572836118.db2.gz KADTXUXKTWGABL-GHMZBOCLSA-N 1 1 182.311 1.444 10 30 ADEEMO C=C[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C)C1 308143322 572836123 /nfs/dbraw/zinc/83/61/23/572836123.db2.gz KADTXUXKTWGABL-GHMZBOCLSA-N 1 1 182.311 1.444 10 30 ADEEMO C=C[C@H](C)[N@H+](C)C[C@@H]1CCN(C)C1 308143327 572836232 /nfs/dbraw/zinc/83/62/32/572836232.db2.gz KADTXUXKTWGABL-WDEREUQCSA-N 1 1 182.311 1.444 10 30 ADEEMO C=C[C@H](C)[N@@H+](C)C[C@@H]1CCN(C)C1 308143327 572836237 /nfs/dbraw/zinc/83/62/37/572836237.db2.gz KADTXUXKTWGABL-WDEREUQCSA-N 1 1 182.311 1.444 10 30 ADEEMO C#CCCC[N@@H+]1C[C@H](O)CC[C@H]1C 306908438 572836419 /nfs/dbraw/zinc/83/64/19/572836419.db2.gz OCCDUMKSLYANBO-GHMZBOCLSA-N 1 1 181.279 1.245 10 30 ADEEMO O=CCC[N@H+]1C[C@@H]2CCCCC[C@@H]21 687933397 572836459 /nfs/dbraw/zinc/83/64/59/572836459.db2.gz KEBOEMBROZLCCW-QWRGUYRKSA-N 1 1 181.279 1.840 10 30 ADEEMO CC(C)[N@H+]1CCCC(=NN)CC1 319874945 572836599 /nfs/dbraw/zinc/83/65/99/572836599.db2.gz BPZZRMFFJFQSFV-UHFFFAOYSA-N 1 1 169.272 1.195 10 30 ADEEMO O=CCC[N@H+]1C[C@H]2CCCCC[C@H]21 687933393 572836612 /nfs/dbraw/zinc/83/66/12/572836612.db2.gz KEBOEMBROZLCCW-GHMZBOCLSA-N 1 1 181.279 1.840 10 30 ADEEMO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](O)C1 299891368 572836962 /nfs/dbraw/zinc/83/69/62/572836962.db2.gz PUMGGCQJCSPMHQ-IONNQARKSA-N 1 1 189.686 1.442 10 30 ADEEMO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](O)C1 299891368 572836964 /nfs/dbraw/zinc/83/69/64/572836964.db2.gz PUMGGCQJCSPMHQ-IONNQARKSA-N 1 1 189.686 1.442 10 30 ADEEMO CC#CC[C@H](O)Cn1c[nH+]c(C)c1C 306921917 572837247 /nfs/dbraw/zinc/83/72/47/572837247.db2.gz SMOZZGXSPLXPSS-NSHDSACASA-N 1 1 192.262 1.274 10 30 ADEEMO C=C[C@@H](C)[N@H+](C)C[C@H]1CCN(C)C1 308143324 572837368 /nfs/dbraw/zinc/83/73/68/572837368.db2.gz KADTXUXKTWGABL-MNOVXSKESA-N 1 1 182.311 1.444 10 30 ADEEMO C=C[C@@H](C)[N@@H+](C)C[C@H]1CCN(C)C1 308143324 572837372 /nfs/dbraw/zinc/83/73/72/572837372.db2.gz KADTXUXKTWGABL-MNOVXSKESA-N 1 1 182.311 1.444 10 30 ADEEMO C#C[C@](C)(CC)N1CCC[NH2+][C@@H](C)C1 307000021 572837490 /nfs/dbraw/zinc/83/74/90/572837490.db2.gz BJRDHVPNJUVWTA-NWDGAFQWSA-N 1 1 194.322 1.472 10 30 ADEEMO CO[C@H]1CCC[N@H+]([C@H](C)CC#N)C1 299891353 572837752 /nfs/dbraw/zinc/83/77/52/572837752.db2.gz PEBNFTGAMYASJR-ZJUUUORDSA-N 1 1 182.267 1.399 10 30 ADEEMO CO[C@H]1CCC[N@@H+]([C@H](C)CC#N)C1 299891353 572837748 /nfs/dbraw/zinc/83/77/48/572837748.db2.gz PEBNFTGAMYASJR-ZJUUUORDSA-N 1 1 182.267 1.399 10 30 ADEEMO CO[C@@H]1CCC[N@@H+]([C@H](C)CC#N)C1 299891352 572837796 /nfs/dbraw/zinc/83/77/96/572837796.db2.gz PEBNFTGAMYASJR-NXEZZACHSA-N 1 1 182.267 1.399 10 30 ADEEMO CO[C@@H]1CCC[N@H+]([C@H](C)CC#N)C1 299891352 572837799 /nfs/dbraw/zinc/83/77/99/572837799.db2.gz PEBNFTGAMYASJR-NXEZZACHSA-N 1 1 182.267 1.399 10 30 ADEEMO C=C[C@@H](C)O[NH+]=C1CCCN1 306989121 572838144 /nfs/dbraw/zinc/83/81/44/572838144.db2.gz RRBQUVDGRNRQRE-SSDOTTSWSA-N 1 1 154.213 1.274 10 30 ADEEMO C=C[C@H](C)[N@H+](C)C[C@H]1CCN(C)C1 308143326 572838378 /nfs/dbraw/zinc/83/83/78/572838378.db2.gz KADTXUXKTWGABL-QWRGUYRKSA-N 1 1 182.311 1.444 10 30 ADEEMO C=C[C@H](C)[N@@H+](C)C[C@H]1CCN(C)C1 308143326 572838381 /nfs/dbraw/zinc/83/83/81/572838381.db2.gz KADTXUXKTWGABL-QWRGUYRKSA-N 1 1 182.311 1.444 10 30 ADEEMO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](O)C1 299891369 572838993 /nfs/dbraw/zinc/83/89/93/572838993.db2.gz PUMGGCQJCSPMHQ-VXNVDRBHSA-N 1 1 189.686 1.442 10 30 ADEEMO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](O)C1 299891369 572838994 /nfs/dbraw/zinc/83/89/94/572838994.db2.gz PUMGGCQJCSPMHQ-VXNVDRBHSA-N 1 1 189.686 1.442 10 30 ADEEMO C=C(C)C[NH2+][C@@H]1CC[C@@H](C)NC1 306913486 572840264 /nfs/dbraw/zinc/84/02/64/572840264.db2.gz TZKCQMABCPFOQK-NXEZZACHSA-N 1 1 168.284 1.293 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCOC(C)(C)C1 306996045 572840354 /nfs/dbraw/zinc/84/03/54/572840354.db2.gz RMMDYFFRCSSZLZ-SECBINFHSA-N 1 1 169.268 1.672 10 30 ADEEMO C=C[C@H](C)O[NH+]=C1CCCN1 306989123 572840423 /nfs/dbraw/zinc/84/04/23/572840423.db2.gz RRBQUVDGRNRQRE-ZETCQYMHSA-N 1 1 154.213 1.274 10 30 ADEEMO C#CCCC[N@H+]1[C@H]2CC[C@@H]1CCNC2 306996791 572840450 /nfs/dbraw/zinc/84/04/50/572840450.db2.gz UCBZDVHLCZZYHF-NEPJUHHUSA-N 1 1 192.306 1.226 10 30 ADEEMO C#CCCC[N@@H+]1[C@H]2CC[C@@H]1CCNC2 306996791 572840451 /nfs/dbraw/zinc/84/04/51/572840451.db2.gz UCBZDVHLCZZYHF-NEPJUHHUSA-N 1 1 192.306 1.226 10 30 ADEEMO C=C(Cl)C[N@@H+]1C[C@H](O)CC[C@@H]1C 306918186 572841126 /nfs/dbraw/zinc/84/11/26/572841126.db2.gz ZIFMOUYGDHBQPX-DTWKUNHWSA-N 1 1 189.686 1.584 10 30 ADEEMO C=C(C)CC[N@@H+]1CCNC[C@H](C)C1 306964975 572841441 /nfs/dbraw/zinc/84/14/41/572841441.db2.gz DXDJDFJGRBRXSF-NSHDSACASA-N 1 1 182.311 1.494 10 30 ADEEMO CO[C@@H]1C[N@@H+]([C@H](C)CC#N)CC[C@H]1C 299894477 572841678 /nfs/dbraw/zinc/84/16/78/572841678.db2.gz WYVGIYXMHBTBJP-GMTAPVOTSA-N 1 1 196.294 1.645 10 30 ADEEMO CO[C@@H]1C[N@H+]([C@H](C)CC#N)CC[C@H]1C 299894477 572841682 /nfs/dbraw/zinc/84/16/82/572841682.db2.gz WYVGIYXMHBTBJP-GMTAPVOTSA-N 1 1 196.294 1.645 10 30 ADEEMO CO[C@@H]1C[N@@H+]([C@H](C)CC#N)CC[C@@H]1C 299894478 572841704 /nfs/dbraw/zinc/84/17/04/572841704.db2.gz WYVGIYXMHBTBJP-HBNTYKKESA-N 1 1 196.294 1.645 10 30 ADEEMO CO[C@@H]1C[N@H+]([C@H](C)CC#N)CC[C@@H]1C 299894478 572841707 /nfs/dbraw/zinc/84/17/07/572841707.db2.gz WYVGIYXMHBTBJP-HBNTYKKESA-N 1 1 196.294 1.645 10 30 ADEEMO C=C[C@H](C)C[N@@H+](C)[C@H]1CCOC1 307954511 572842208 /nfs/dbraw/zinc/84/22/08/572842208.db2.gz QJCNHPIUUSNGEJ-UWVGGRQHSA-N 1 1 169.268 1.529 10 30 ADEEMO C=C[C@H](C)C[N@@H+](C)CCC(C)=O 307958685 572842280 /nfs/dbraw/zinc/84/22/80/572842280.db2.gz UDJGKEHAHCIEPV-VIFPVBQESA-N 1 1 169.268 1.719 10 30 ADEEMO C=C[C@H](C)[N@@H+]1C[C@H]2C[C@H](O)CC[C@H]2C1 306971448 572842293 /nfs/dbraw/zinc/84/22/93/572842293.db2.gz SJPQNCGUJGUFCT-NNYUYHANSA-N 1 1 195.306 1.654 10 30 ADEEMO C#CC[N@@H+]1CCC[C@@H]1CCC 306943027 572842330 /nfs/dbraw/zinc/84/23/30/572842330.db2.gz IQTZFDAAVLEQFG-JTQLQIEISA-N 1 1 151.253 1.884 10 30 ADEEMO C=C1CCC[N@H+](CCF)C1 306929949 572842385 /nfs/dbraw/zinc/84/23/85/572842385.db2.gz BEXIGGDHFQNOJO-UHFFFAOYSA-N 1 1 143.205 1.608 10 30 ADEEMO CO[C@@H]1C[N@@H+]([C@@H](C)CC#N)CC[C@H]1C 299894479 572842391 /nfs/dbraw/zinc/84/23/91/572842391.db2.gz WYVGIYXMHBTBJP-OUAUKWLOSA-N 1 1 196.294 1.645 10 30 ADEEMO CO[C@@H]1C[N@H+]([C@@H](C)CC#N)CC[C@H]1C 299894479 572842395 /nfs/dbraw/zinc/84/23/95/572842395.db2.gz WYVGIYXMHBTBJP-OUAUKWLOSA-N 1 1 196.294 1.645 10 30 ADEEMO C=C[C@H](C)[N@H+]1C[C@@H]2CC[C@H](C1)O2 306949778 572842516 /nfs/dbraw/zinc/84/25/16/572842516.db2.gz XCPZYGJAALMPEE-LPEHRKFASA-N 1 1 167.252 1.424 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCC[C@](C)(CO)C1 306956236 572842638 /nfs/dbraw/zinc/84/26/38/572842638.db2.gz RFIAAVKKGOLPKM-QWRGUYRKSA-N 1 1 183.295 1.655 10 30 ADEEMO C=C[C@H](C)[N@H+]1CC[C@H](CO)[C@@H]1C 306997359 572842649 /nfs/dbraw/zinc/84/26/49/572842649.db2.gz VYALGJVWBBLJHM-LPEHRKFASA-N 1 1 169.268 1.264 10 30 ADEEMO C=C[C@@H](C)[NH+]1CCN(C2CC2)CC1 306925065 572842710 /nfs/dbraw/zinc/84/27/10/572842710.db2.gz LEYYWEHQFSWUEW-SNVBAGLBSA-N 1 1 180.295 1.341 10 30 ADEEMO C=C[C@@H](C)C[N@@H+](C)CCC(C)=O 307958684 572843146 /nfs/dbraw/zinc/84/31/46/572843146.db2.gz UDJGKEHAHCIEPV-SECBINFHSA-N 1 1 169.268 1.719 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCOC[C@H]1C 306926749 572843171 /nfs/dbraw/zinc/84/31/71/572843171.db2.gz QXZCPOAUJMENFE-RKDXNWHRSA-N 1 1 155.241 1.282 10 30 ADEEMO C=C1CN(CC)C[C@H]2CCC[N@@H+]12 306912010 572843203 /nfs/dbraw/zinc/84/32/03/572843203.db2.gz LZBACDRMQODJGX-SNVBAGLBSA-N 1 1 166.268 1.300 10 30 ADEEMO C#CC[N@H+]1CC[C@H]2OCCC[C@H]2C1 306934129 572843379 /nfs/dbraw/zinc/84/33/79/572843379.db2.gz DXQJAQRWRDBQGV-WDEREUQCSA-N 1 1 179.263 1.121 10 30 ADEEMO C#CC(C)(C)[N@@H+](C)C[C@@H]1CCOC1 306923556 572843428 /nfs/dbraw/zinc/84/34/28/572843428.db2.gz GBCJLDCBHCRIKS-JTQLQIEISA-N 1 1 181.279 1.367 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCO[C@@H]2CCC[C@@H]21 306996824 572843461 /nfs/dbraw/zinc/84/34/61/572843461.db2.gz UDXGIWFZAQIGML-GARJFASQSA-N 1 1 181.279 1.814 10 30 ADEEMO CCOCC[N@@H+](C)C/C=C/CS 87980243 572852021 /nfs/dbraw/zinc/85/20/21/572852021.db2.gz ZAUCDEXJASMALO-SNAWJCMRSA-N 1 1 189.324 1.441 10 30 ADEEMO C=CC[N@H+]1C[C@@H](C)C[C@H]1C 306970653 572843649 /nfs/dbraw/zinc/84/36/49/572843649.db2.gz UFNKRICTKLAJCI-DTWKUNHWSA-N 1 1 139.242 1.903 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCC[C@@](C)(CO)C1 306956237 572844292 /nfs/dbraw/zinc/84/42/92/572844292.db2.gz RFIAAVKKGOLPKM-WDEREUQCSA-N 1 1 183.295 1.655 10 30 ADEEMO C#CCCC[C@]1(O)CC[N@H+](C)C[C@@H]1C 306988757 572844375 /nfs/dbraw/zinc/84/43/75/572844375.db2.gz BCEKLVMKAIEPRH-RYUDHWBXSA-N 1 1 195.306 1.493 10 30 ADEEMO C=CC[N@H+](C)C/C=C/Cl 306933534 572844458 /nfs/dbraw/zinc/84/44/58/572844458.db2.gz DLHMKKBZVXQMMS-SNAWJCMRSA-N 1 1 145.633 1.857 10 30 ADEEMO C=CC[NH2+]CCNCCC(F)F 308151378 572845536 /nfs/dbraw/zinc/84/55/36/572845536.db2.gz MWNWCSMTYNJBPO-UHFFFAOYSA-N 1 1 178.226 1.007 10 30 ADEEMO C#CC[N@H+]1CC(C)=C[C@@H](C)C1 306994165 572845637 /nfs/dbraw/zinc/84/56/37/572845637.db2.gz MWCMDAGPAQAIJP-SECBINFHSA-N 1 1 149.237 1.518 10 30 ADEEMO C=C(C)[C@@H]([NH2+]CC)c1ncccn1 86027313 572846271 /nfs/dbraw/zinc/84/62/71/572846271.db2.gz VAUOBGCNXVSBNO-SECBINFHSA-N 1 1 177.251 1.703 10 30 ADEEMO C#CCC[N@H+](C)CCOC(C)C 87978837 572846668 /nfs/dbraw/zinc/84/66/68/572846668.db2.gz XVIOSJVCEQMAEU-UHFFFAOYSA-N 1 1 169.268 1.367 10 30 ADEEMO C=CCCC[N@H+](C)[C@H](C)[C@H](C)O 307959422 572847058 /nfs/dbraw/zinc/84/70/58/572847058.db2.gz UVQJLWUGFLSKPA-ZJUUUORDSA-N 1 1 171.284 1.654 10 30 ADEEMO C=CCCCCNC[C@H]1CCC[NH2+]1 308151755 572847207 /nfs/dbraw/zinc/84/72/07/572847207.db2.gz RHNFNDHIHKZVCJ-LLVKDONJSA-N 1 1 182.311 1.684 10 30 ADEEMO C=CCCC[C@@H](C)[N@@H+](C)CCO 307959475 572847183 /nfs/dbraw/zinc/84/71/83/572847183.db2.gz UYDRPXSQFAWRPQ-SNVBAGLBSA-N 1 1 171.284 1.655 10 30 ADEEMO C=CCCC[N@H+](C)[C@@H](C)[C@@H](C)O 307959421 572847697 /nfs/dbraw/zinc/84/76/97/572847697.db2.gz UVQJLWUGFLSKPA-VHSXEESVSA-N 1 1 171.284 1.654 10 30 ADEEMO C=CCCC[C@H](C)[N@@H+](C)CCO 307959473 572847810 /nfs/dbraw/zinc/84/78/10/572847810.db2.gz UYDRPXSQFAWRPQ-JTQLQIEISA-N 1 1 171.284 1.655 10 30 ADEEMO C=CCCC[N@H+](C)[C@@H](C)[C@H](C)O 307959420 572847873 /nfs/dbraw/zinc/84/78/73/572847873.db2.gz UVQJLWUGFLSKPA-UWVGGRQHSA-N 1 1 171.284 1.654 10 30 ADEEMO C=C(C)[C@@H](N)CC[NH+](CC)CC 86059081 572847899 /nfs/dbraw/zinc/84/78/99/572847899.db2.gz QKRKKGXXSKGTOW-JTQLQIEISA-N 1 1 170.300 1.622 10 30 ADEEMO C=CCCC[N@H+](C)[C@H](C)[C@@H](C)O 307959419 572847938 /nfs/dbraw/zinc/84/79/38/572847938.db2.gz UVQJLWUGFLSKPA-NXEZZACHSA-N 1 1 171.284 1.654 10 30 ADEEMO C=C(C)[C@@H](NC)[C@](C)(CC)[NH+](C)C 86058765 572848071 /nfs/dbraw/zinc/84/80/71/572848071.db2.gz CBNBADVIFCSCLE-MNOVXSKESA-N 1 1 184.327 1.881 10 30 ADEEMO CCOCC[N@H+](C)[C@@H](CC)CC#N 87977660 572848147 /nfs/dbraw/zinc/84/81/47/572848147.db2.gz FJFIMISTJOBGPO-JTQLQIEISA-N 1 1 184.283 1.647 10 30 ADEEMO CCOCC[N@@H+](C)[C@@H](CC)CC#N 87977660 572848151 /nfs/dbraw/zinc/84/81/51/572848151.db2.gz FJFIMISTJOBGPO-JTQLQIEISA-N 1 1 184.283 1.647 10 30 ADEEMO C=C(C)[C@@H]([NH3+])[C@](C)(CC)N(C)C 86058750 572848154 /nfs/dbraw/zinc/84/81/54/572848154.db2.gz MTJDJYLMKOGUTD-ZJUUUORDSA-N 1 1 170.300 1.620 10 30 ADEEMO C=C(C)[C@H](NC)[C@@](C)(CC)[NH+](C)C 86058770 572848390 /nfs/dbraw/zinc/84/83/90/572848390.db2.gz CBNBADVIFCSCLE-WDEREUQCSA-N 1 1 184.327 1.881 10 30 ADEEMO C=C(C)[C@@H](CC[NH+](CC)CC)NC 86059090 572848799 /nfs/dbraw/zinc/84/87/99/572848799.db2.gz XRSCOSZMJUTXHK-LLVKDONJSA-N 1 1 184.327 1.882 10 30 ADEEMO C=C(C)[C@H]([NH3+])[C@@](C)(CC)N(C)C 86058755 572848832 /nfs/dbraw/zinc/84/88/32/572848832.db2.gz MTJDJYLMKOGUTD-VHSXEESVSA-N 1 1 170.300 1.620 10 30 ADEEMO C=C(C)[C@H]([NH3+])[C@](C)(CC)N(C)C 86058753 572848872 /nfs/dbraw/zinc/84/88/72/572848872.db2.gz MTJDJYLMKOGUTD-UWVGGRQHSA-N 1 1 170.300 1.620 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCCO[C@H](C)C1 306999272 572849848 /nfs/dbraw/zinc/84/98/48/572849848.db2.gz ZRRGAKQWDHAWLJ-VHSXEESVSA-N 1 1 169.268 1.672 10 30 ADEEMO C=C(C)[C@@H]([NH3+])[C@@](C)(CC)N(C)C 86058751 572849952 /nfs/dbraw/zinc/84/99/52/572849952.db2.gz MTJDJYLMKOGUTD-NXEZZACHSA-N 1 1 170.300 1.620 10 30 ADEEMO C=C(C)[C@H](N)CC[NH+](CC)CC 86059083 572849966 /nfs/dbraw/zinc/84/99/66/572849966.db2.gz QKRKKGXXSKGTOW-SNVBAGLBSA-N 1 1 170.300 1.622 10 30 ADEEMO CC#CCN[C@H]1C[N@@H+](C2CC2)C[C@H]1C 306924613 572850141 /nfs/dbraw/zinc/85/01/41/572850141.db2.gz JXRVJFTZQCGVLC-PWSUYJOCSA-N 1 1 192.306 1.082 10 30 ADEEMO CC#CCN[C@H]1C[N@H+](C2CC2)C[C@H]1C 306924613 572850147 /nfs/dbraw/zinc/85/01/47/572850147.db2.gz JXRVJFTZQCGVLC-PWSUYJOCSA-N 1 1 192.306 1.082 10 30 ADEEMO C=C(C)[C@H](CC[NH+](CC)CC)NC 86059089 572850164 /nfs/dbraw/zinc/85/01/64/572850164.db2.gz XRSCOSZMJUTXHK-NSHDSACASA-N 1 1 184.327 1.882 10 30 ADEEMO C#CC(C)(C)[N@@H+](C)C[C@H]1CCOC1 306923557 572850369 /nfs/dbraw/zinc/85/03/69/572850369.db2.gz GBCJLDCBHCRIKS-SNVBAGLBSA-N 1 1 181.279 1.367 10 30 ADEEMO CCOCC[N@H+](C)[C@H](CC)CC#N 87977661 572850596 /nfs/dbraw/zinc/85/05/96/572850596.db2.gz FJFIMISTJOBGPO-SNVBAGLBSA-N 1 1 184.283 1.647 10 30 ADEEMO CCOCC[N@@H+](C)[C@H](CC)CC#N 87977661 572850600 /nfs/dbraw/zinc/85/06/00/572850600.db2.gz FJFIMISTJOBGPO-SNVBAGLBSA-N 1 1 184.283 1.647 10 30 ADEEMO CCOCC[N@@H+](C)CCCS 87980230 572850965 /nfs/dbraw/zinc/85/09/65/572850965.db2.gz WPVJUTXMORNLJE-UHFFFAOYSA-N 1 1 177.313 1.275 10 30 ADEEMO CC(C)OCC[N@@H+](C)CCS 87980264 572851245 /nfs/dbraw/zinc/85/12/45/572851245.db2.gz RPOBIQVQHZYTDL-UHFFFAOYSA-N 1 1 177.313 1.273 10 30 ADEEMO CC(C)OCC[N@@H+](C)CCCS 87980256 572851425 /nfs/dbraw/zinc/85/14/25/572851425.db2.gz AGTZLKXDFVJDSN-UHFFFAOYSA-N 1 1 191.340 1.663 10 30 ADEEMO C=C[C@@H](C)[N@@H+](C)C[C@@H]1CCOC1 307960855 572851661 /nfs/dbraw/zinc/85/16/61/572851661.db2.gz KVWRXLMYCDAGGK-ZJUUUORDSA-N 1 1 169.268 1.529 10 30 ADEEMO C#C[C@H]([NH2+][C@@H]1CCCN[C@@H]1C)C(C)C 306938972 572851641 /nfs/dbraw/zinc/85/16/41/572851641.db2.gz KFTXUDWPHSOMGW-GRYCIOLGSA-N 1 1 194.322 1.374 10 30 ADEEMO CCOCC[N@@H+](C)C[C@@H](C)CS 87980249 572851703 /nfs/dbraw/zinc/85/17/03/572851703.db2.gz CDQIOXTUXRCDPR-SECBINFHSA-N 1 1 191.340 1.521 10 30 ADEEMO C=C[C@H](C)[N@@H+](C)C[C@H]1CCOC1 307960854 572851963 /nfs/dbraw/zinc/85/19/63/572851963.db2.gz KVWRXLMYCDAGGK-VHSXEESVSA-N 1 1 169.268 1.529 10 30 ADEEMO C=C(C)C[C@H]([NH3+])C(C)(C)N(C)C 86062617 572851991 /nfs/dbraw/zinc/85/19/91/572851991.db2.gz QKEPCKIEMFUQMZ-VIFPVBQESA-N 1 1 170.300 1.620 10 30 ADEEMO C=C(C)C[C@H](N)C(C)(C)[NH+](C)C 86062617 572851995 /nfs/dbraw/zinc/85/19/95/572851995.db2.gz QKEPCKIEMFUQMZ-VIFPVBQESA-N 1 1 170.300 1.620 10 30 ADEEMO C=C[C@H](C)[N@@H+](C)C[C@@H]1CCOC1 307960853 572852074 /nfs/dbraw/zinc/85/20/74/572852074.db2.gz KVWRXLMYCDAGGK-UWVGGRQHSA-N 1 1 169.268 1.529 10 30 ADEEMO CCCC(N)=[NH+]OCc1cscn1 308145852 572852188 /nfs/dbraw/zinc/85/21/88/572852188.db2.gz ADXGJWWKSXXHPB-UHFFFAOYSA-N 1 1 199.279 1.732 10 30 ADEEMO C=C(C)C[NH2+][C@H]1CC[C@@H](C)NC1 306913492 572852350 /nfs/dbraw/zinc/85/23/50/572852350.db2.gz TZKCQMABCPFOQK-ZJUUUORDSA-N 1 1 168.284 1.293 10 30 ADEEMO C#CCCC[N@H+](C)CC=C 306934617 572852532 /nfs/dbraw/zinc/85/25/32/572852532.db2.gz FJQQFWBHDOEEKL-UHFFFAOYSA-N 1 1 137.226 1.518 10 30 ADEEMO C=C(C)C[C@@H]([NH3+])C(C)(C)N(C)C 86062622 572852711 /nfs/dbraw/zinc/85/27/11/572852711.db2.gz QKEPCKIEMFUQMZ-SECBINFHSA-N 1 1 170.300 1.620 10 30 ADEEMO C=C(C)C[C@@H](N)C(C)(C)[NH+](C)C 86062622 572852716 /nfs/dbraw/zinc/85/27/16/572852716.db2.gz QKEPCKIEMFUQMZ-SECBINFHSA-N 1 1 170.300 1.620 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CC[C@@H]2C[C@]2(O)C1 306999183 572853147 /nfs/dbraw/zinc/85/31/47/572853147.db2.gz ZILRGNQIKJGZNO-BBBLOLIVSA-N 1 1 167.252 1.018 10 30 ADEEMO C=CC[N@H+](C)CC[C@H](C)F 306948005 572853247 /nfs/dbraw/zinc/85/32/47/572853247.db2.gz RLXZMKVRTCFWCW-QMMMGPOBSA-N 1 1 145.221 1.852 10 30 ADEEMO CCOCC[N@@H+](C)C[C@H](C)CS 87980250 572853331 /nfs/dbraw/zinc/85/33/31/572853331.db2.gz CDQIOXTUXRCDPR-VIFPVBQESA-N 1 1 191.340 1.521 10 30 ADEEMO C=C[C@@H](C)[N@@H+](C)C[C@H]1CCOC1 307960852 572853489 /nfs/dbraw/zinc/85/34/89/572853489.db2.gz KVWRXLMYCDAGGK-NXEZZACHSA-N 1 1 169.268 1.529 10 30 ADEEMO CC#CC[N@H+]1CCS[C@@H]2CCC[C@@H]21 306931248 572853731 /nfs/dbraw/zinc/85/37/31/572853731.db2.gz BVJJPZXQEAHSLN-WDEREUQCSA-N 1 1 195.331 1.980 10 30 ADEEMO CCOCC[N@@H+](C)CCCCS 87980241 572853865 /nfs/dbraw/zinc/85/38/65/572853865.db2.gz BZNJJNLIPYVXDW-UHFFFAOYSA-N 1 1 191.340 1.665 10 30 ADEEMO C#CCN1CCC[C@H]2C[NH2+]CCC[C@@H]21 306956390 572853915 /nfs/dbraw/zinc/85/39/15/572853915.db2.gz RMXPSLRSEVOYFO-RYUDHWBXSA-N 1 1 192.306 1.084 10 30 ADEEMO C[C@@H]1C[N@H+](CCC/C(N)=N/O)C[C@@H]1C 86014817 572854533 /nfs/dbraw/zinc/85/45/33/572854533.db2.gz KZYICCOWLNNNJX-DTORHVGOSA-N 1 1 199.298 1.101 10 30 ADEEMO CSCCO[NH+]=C(N)CC1CC1 308146147 572854716 /nfs/dbraw/zinc/85/47/16/572854716.db2.gz KGDKXSWZWBYJKS-UHFFFAOYSA-N 1 1 188.296 1.438 10 30 ADEEMO C=CCC[C@H](C)[N@H+](C)C[C@H](C)O 307962119 572855077 /nfs/dbraw/zinc/85/50/77/572855077.db2.gz XVRAAJWIFKOXDU-UWVGGRQHSA-N 1 1 171.284 1.654 10 30 ADEEMO C=CCNCC[N@@H+]1C[C@@H](C)[C@@H](C)C1 86012658 572855139 /nfs/dbraw/zinc/85/51/39/572855139.db2.gz KIDIGCWLQZCISY-PHIMTYICSA-N 1 1 182.311 1.350 10 30 ADEEMO C=CCNCC[N@H+]1C[C@@H](C)[C@@H](C)C1 86012658 572855143 /nfs/dbraw/zinc/85/51/43/572855143.db2.gz KIDIGCWLQZCISY-PHIMTYICSA-N 1 1 182.311 1.350 10 30 ADEEMO C=CC[NH2+]C[C@H](C)N1C[C@@H](C)[C@H](C)C1 86012666 572855155 /nfs/dbraw/zinc/85/51/55/572855155.db2.gz RYJIBUJTZUCLIN-UTUOFQBUSA-N 1 1 196.338 1.738 10 30 ADEEMO C=C[C@H](C)[N@H+]1CC[C@@H]2C[C@@H]21 306924981 572855192 /nfs/dbraw/zinc/85/51/92/572855192.db2.gz KXDXIYNCCIJYNU-YIZRAAEISA-N 1 1 137.226 1.655 10 30 ADEEMO CN[C@H](C#N)CC[N@@H+]1C[C@@H](C)[C@@H](C)C1 86011757 572855604 /nfs/dbraw/zinc/85/56/04/572855604.db2.gz HRCTWHSNHUJLQE-AXFHLTTASA-N 1 1 195.310 1.076 10 30 ADEEMO C=CCNCC[NH+]1C[C@H](C)[C@@H](C)C1 86012659 572855726 /nfs/dbraw/zinc/85/57/26/572855726.db2.gz KIDIGCWLQZCISY-QWRGUYRKSA-N 1 1 182.311 1.350 10 30 ADEEMO C=CC[N@H+]1C[C@@H](C)C[C@@H]1C 306970658 572855769 /nfs/dbraw/zinc/85/57/69/572855769.db2.gz UFNKRICTKLAJCI-IUCAKERBSA-N 1 1 139.242 1.903 10 30 ADEEMO C=C[C@@H](C)[N@@H+](C)Cc1cn[nH]c1 307962533 572856109 /nfs/dbraw/zinc/85/61/09/572856109.db2.gz YEHYEEFZOWTXML-MRVPVSSYSA-N 1 1 165.240 1.416 10 30 ADEEMO CCN[C@H](C#N)C[N@H+]1C[C@@H](C)[C@@H](C)C1 86011640 572856388 /nfs/dbraw/zinc/85/63/88/572856388.db2.gz AEBFYXQCRNWSND-OUAUKWLOSA-N 1 1 195.310 1.076 10 30 ADEEMO CCN[C@H](C#N)C[N@@H+]1C[C@@H](C)[C@@H](C)C1 86011640 572856392 /nfs/dbraw/zinc/85/63/92/572856392.db2.gz AEBFYXQCRNWSND-OUAUKWLOSA-N 1 1 195.310 1.076 10 30 ADEEMO CCN[C@@H](C#N)C[N@H+]1C[C@@H](C)[C@@H](C)C1 86011643 572856553 /nfs/dbraw/zinc/85/65/53/572856553.db2.gz AEBFYXQCRNWSND-AXFHLTTASA-N 1 1 195.310 1.076 10 30 ADEEMO CCN[C@@H](C#N)C[N@@H+]1C[C@@H](C)[C@@H](C)C1 86011643 572856557 /nfs/dbraw/zinc/85/65/57/572856557.db2.gz AEBFYXQCRNWSND-AXFHLTTASA-N 1 1 195.310 1.076 10 30 ADEEMO C=CCC[C@H](C)[N@H+](C)C[C@@H](C)O 307962120 572856655 /nfs/dbraw/zinc/85/66/55/572856655.db2.gz XVRAAJWIFKOXDU-VHSXEESVSA-N 1 1 171.284 1.654 10 30 ADEEMO C=C[C@H](C)[N@@H+](C)Cc1cn[nH]c1 307962534 572856779 /nfs/dbraw/zinc/85/67/79/572856779.db2.gz YEHYEEFZOWTXML-QMMMGPOBSA-N 1 1 165.240 1.416 10 30 ADEEMO C#CC[NH2+]C[C@H](C)N1C[C@@H](C)[C@H](C)C1 86012672 572856807 /nfs/dbraw/zinc/85/68/07/572856807.db2.gz ZQRMWVBBASFBQM-UTUOFQBUSA-N 1 1 194.322 1.186 10 30 ADEEMO CCN[C@H](C#N)C[NH+]1C[C@@H](C)[C@H](C)C1 86011645 572856868 /nfs/dbraw/zinc/85/68/68/572856868.db2.gz AEBFYXQCRNWSND-GMTAPVOTSA-N 1 1 195.310 1.076 10 30 ADEEMO C=CC[NH2+]C[C@H](C)N1C[C@H](C)[C@@H](C)C1 86012665 572857451 /nfs/dbraw/zinc/85/74/51/572857451.db2.gz RYJIBUJTZUCLIN-SRVKXCTJSA-N 1 1 196.338 1.738 10 30 ADEEMO C=C(CN)C[N@H+]1C[C@H](C)[C@H](C)[C@H]1C 306932134 572857487 /nfs/dbraw/zinc/85/74/87/572857487.db2.gz CHPOUDWXOWAFMT-GARJFASQSA-N 1 1 182.311 1.478 10 30 ADEEMO C=C(CN)C[N@@H+]1C[C@H](C)[C@H](C)[C@H]1C 306932134 572857490 /nfs/dbraw/zinc/85/74/90/572857490.db2.gz CHPOUDWXOWAFMT-GARJFASQSA-N 1 1 182.311 1.478 10 30 ADEEMO C=C[C@H](C)[N@@H+]1C[C@H]2C[C@@H](O)CC[C@H]2C1 306971449 572857508 /nfs/dbraw/zinc/85/75/08/572857508.db2.gz SJPQNCGUJGUFCT-YFKTTZPYSA-N 1 1 195.306 1.654 10 30 ADEEMO C#CC[NH2+]C[C@H](C)N1C[C@H](C)[C@@H](C)C1 86012671 572857576 /nfs/dbraw/zinc/85/75/76/572857576.db2.gz ZQRMWVBBASFBQM-SRVKXCTJSA-N 1 1 194.322 1.186 10 30 ADEEMO CC1=C[C@H](CCC#N)[N@@H+](C)CC1 75546435 572857763 /nfs/dbraw/zinc/85/77/63/572857763.db2.gz NBYIVCCVVVVDRM-JTQLQIEISA-N 1 1 164.252 1.941 10 30 ADEEMO CC1=CC[N@H+](C)[C@@H](CCC#N)C1 75546440 572857963 /nfs/dbraw/zinc/85/79/63/572857963.db2.gz ZXJNXUXAXIYTDW-JTQLQIEISA-N 1 1 164.252 1.941 10 30 ADEEMO CC1=CC[C@@H](CCC#N)[N@@H+](C)C1 75546444 572858018 /nfs/dbraw/zinc/85/80/18/572858018.db2.gz DTZIZELYBWEARL-SNVBAGLBSA-N 1 1 164.252 1.941 10 30 ADEEMO C#C[C@](C)(CC)Nc1nc(N)cc[nH+]1 306968199 572858031 /nfs/dbraw/zinc/85/80/31/572858031.db2.gz HHSCRRDIFDELBN-SNVBAGLBSA-N 1 1 190.250 1.273 10 30 ADEEMO CC1=C[C@@H](CCC#N)[N@@H+](C)CC1 75546438 572858080 /nfs/dbraw/zinc/85/80/80/572858080.db2.gz NBYIVCCVVVVDRM-SNVBAGLBSA-N 1 1 164.252 1.941 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCN(C)[C@H](C)C1 306966195 572858565 /nfs/dbraw/zinc/85/85/65/572858565.db2.gz OCIARDJHLPPGIK-VHSXEESVSA-N 1 1 168.284 1.197 10 30 ADEEMO C=C[C@H](C)N1CC[N@H+](C)[C@H](C)C1 306966195 572858571 /nfs/dbraw/zinc/85/85/71/572858571.db2.gz OCIARDJHLPPGIK-VHSXEESVSA-N 1 1 168.284 1.197 10 30 ADEEMO C=C[C@H](C)N1CC[N@@H+](C)[C@H](C)C1 306966195 572858573 /nfs/dbraw/zinc/85/85/73/572858573.db2.gz OCIARDJHLPPGIK-VHSXEESVSA-N 1 1 168.284 1.197 10 30 ADEEMO CCC1=CC[C@H](CC#N)[N@H+](C)C1 75546445 572858905 /nfs/dbraw/zinc/85/89/05/572858905.db2.gz MGDBKKLKBSRYGS-SNVBAGLBSA-N 1 1 164.252 1.941 10 30 ADEEMO CCC1=CC[C@H](CC#N)[N@@H+](C)C1 75546445 572858908 /nfs/dbraw/zinc/85/89/08/572858908.db2.gz MGDBKKLKBSRYGS-SNVBAGLBSA-N 1 1 164.252 1.941 10 30 ADEEMO N#C[C@H]1CC[N@H+]2CCCC[C@H]2C1 75546462 572858931 /nfs/dbraw/zinc/85/89/31/572858931.db2.gz WCMCVYJIALWOCA-UWVGGRQHSA-N 1 1 164.252 1.774 10 30 ADEEMO C#CCNc1[nH+]ccc2ccc(O)cc12 236609219 572859606 /nfs/dbraw/zinc/85/96/06/572859606.db2.gz JICNHSLIHVWIRE-UHFFFAOYSA-N 1 1 198.225 1.986 10 30 ADEEMO CC1=CC[C@H](CCC#N)[N@@H+](C)C1 75546441 572859861 /nfs/dbraw/zinc/85/98/61/572859861.db2.gz DTZIZELYBWEARL-JTQLQIEISA-N 1 1 164.252 1.941 10 30 ADEEMO CCC1=CC[C@@H](CC#N)[N@H+](C)C1 75546446 572859912 /nfs/dbraw/zinc/85/99/12/572859912.db2.gz MGDBKKLKBSRYGS-JTQLQIEISA-N 1 1 164.252 1.941 10 30 ADEEMO CCC1=CC[C@@H](CC#N)[N@@H+](C)C1 75546446 572859916 /nfs/dbraw/zinc/85/99/16/572859916.db2.gz MGDBKKLKBSRYGS-JTQLQIEISA-N 1 1 164.252 1.941 10 30 ADEEMO N#C[C@@H]1CC[N@H+]2CCCC[C@H]2C1 75546463 572860170 /nfs/dbraw/zinc/86/01/70/572860170.db2.gz WCMCVYJIALWOCA-ZJUUUORDSA-N 1 1 164.252 1.774 10 30 ADEEMO C#C[C@@](C)(CC)Nc1ccc(N)c[nH+]1 307077814 572860579 /nfs/dbraw/zinc/86/05/79/572860579.db2.gz PSLNZJBHIUUAOI-NSHDSACASA-N 1 1 189.262 1.878 10 30 ADEEMO C#CCCC[N@@H+]1C[C@H]2C[C@H]2C1 307039104 572860675 /nfs/dbraw/zinc/86/06/75/572860675.db2.gz HZRCLNTZXFQORF-AOOOYVTPSA-N 1 1 149.237 1.352 10 30 ADEEMO C#C[C@]1(O)CC[N@H+](C[C@@H](C)CC)C1 307001237 572860838 /nfs/dbraw/zinc/86/08/38/572860838.db2.gz BBZQUMGUCQTSDC-QWRGUYRKSA-N 1 1 181.279 1.103 10 30 ADEEMO C=C[C@@H]([NH3+])[C@H](N)Cc1ccccc1 238598349 572860994 /nfs/dbraw/zinc/86/09/94/572860994.db2.gz NEFWVCNQTFGEFO-GHMZBOCLSA-N 1 1 176.263 1.070 10 30 ADEEMO C=C[C@H](C)[N@H+]1CC[C@@H](CO)[C@@H]1C 306997357 572861268 /nfs/dbraw/zinc/86/12/68/572861268.db2.gz VYALGJVWBBLJHM-GUBZILKMSA-N 1 1 169.268 1.264 10 30 ADEEMO C#C[C@@H](CC)[N@H+]1CCCC[C@H](C[NH3+])C1 306997360 572861307 /nfs/dbraw/zinc/86/13/07/572861307.db2.gz VYDMMQDNOUWMAU-NEPJUHHUSA-N 1 1 194.322 1.459 10 30 ADEEMO C=C(C)[C@]1(O)CC[N@H+](C)C[C@@H]1C 307073454 572861407 /nfs/dbraw/zinc/86/14/07/572861407.db2.gz MOJSEPCZXLTDSS-VHSXEESVSA-N 1 1 169.268 1.265 10 30 ADEEMO C=C[C@H]([NH3+])[C@H](N)Cc1ccccc1 238598129 572861440 /nfs/dbraw/zinc/86/14/40/572861440.db2.gz NEFWVCNQTFGEFO-WDEREUQCSA-N 1 1 176.263 1.070 10 30 ADEEMO C=CCC[C@@]1(O)CC[N@H+]2CCCC[C@@H]21 307013139 572861504 /nfs/dbraw/zinc/86/15/04/572861504.db2.gz NIAIPRZCRAHIPD-VXGBXAGGSA-N 1 1 195.306 1.942 10 30 ADEEMO C=CCN[C@@H](C[NH3+])CC1=CCCCC1 238598782 572861773 /nfs/dbraw/zinc/86/17/73/572861773.db2.gz IBWKDCCZVFJPQQ-GFCCVEGCSA-N 1 1 194.322 1.980 10 30 ADEEMO C=C[C@@H](C)[N@H+](C)CC#CC 307086575 572862036 /nfs/dbraw/zinc/86/20/36/572862036.db2.gz NRGFCMNPONGPKH-SECBINFHSA-N 1 1 137.226 1.516 10 30 ADEEMO CC#CCC[N@H+]1CCC[C@]1(C)CO 307003270 572862558 /nfs/dbraw/zinc/86/25/58/572862558.db2.gz CNSLIIFJCRGFIH-LLVKDONJSA-N 1 1 181.279 1.247 10 30 ADEEMO C=CCCCC[N@H+]1CC[C@@H](N)C1 238610797 572862577 /nfs/dbraw/zinc/86/25/77/572862577.db2.gz CECRCOXKODEFOO-SNVBAGLBSA-N 1 1 168.284 1.376 10 30 ADEEMO C=CCCCC[N@@H+]1CC[C@@H](N)C1 238610797 572862581 /nfs/dbraw/zinc/86/25/81/572862581.db2.gz CECRCOXKODEFOO-SNVBAGLBSA-N 1 1 168.284 1.376 10 30 ADEEMO [NH3+]C1(C(=O)C#Cc2ccccc2)CC1 307028840 572862689 /nfs/dbraw/zinc/86/26/89/572862689.db2.gz LKJUDOGJELEZSN-UHFFFAOYSA-N 1 1 185.226 1.099 10 30 ADEEMO C[C@H]1C[N@@H+](CC#CC(C)(C)C)C[C@@H]1O 307033071 572865596 /nfs/dbraw/zinc/86/55/96/572865596.db2.gz SBPUWZQIQSMJKD-QWRGUYRKSA-N 1 1 195.306 1.349 10 30 ADEEMO C[C@@H]1C[N@@H+](CC#CC(C)(C)C)C[C@H]1O 307033069 572863210 /nfs/dbraw/zinc/86/32/10/572863210.db2.gz SBPUWZQIQSMJKD-GHMZBOCLSA-N 1 1 195.306 1.349 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCC[C@H]([C@@H](C)O)C1 307093661 572863373 /nfs/dbraw/zinc/86/33/73/572863373.db2.gz BBVLGPOUQATOHH-AXFHLTTASA-N 1 1 183.295 1.654 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)C1CCCC1 307081521 572863403 /nfs/dbraw/zinc/86/34/03/572863403.db2.gz JJAMHAMSJOMDSD-SECBINFHSA-N 1 1 151.253 1.883 10 30 ADEEMO C#C[C@](C)(CC)[N@@H+]1CCC(=O)[C@H](C)C1 307040475 572863456 /nfs/dbraw/zinc/86/34/56/572863456.db2.gz JHDDWTDIXJAFAQ-ZYHUDNBSSA-N 1 1 193.290 1.699 10 30 ADEEMO C#C[C@](C)(CC)[N@H+]1CCC(=O)[C@H](C)C1 307040475 572863460 /nfs/dbraw/zinc/86/34/60/572863460.db2.gz JHDDWTDIXJAFAQ-ZYHUDNBSSA-N 1 1 193.290 1.699 10 30 ADEEMO Cc1c(C#N)cnc2c1C[N@@H+](C)CC2 75561622 572863889 /nfs/dbraw/zinc/86/38/89/572863889.db2.gz LECVPQAGSZOOQN-UHFFFAOYSA-N 1 1 187.246 1.250 10 30 ADEEMO CCCC[N@H+]1C[C@@H](C)[C@H](C=O)C1 75558064 572864214 /nfs/dbraw/zinc/86/42/14/572864214.db2.gz BUKYQTMHKCUHPJ-ZJUUUORDSA-N 1 1 169.268 1.553 10 30 ADEEMO CCCC[N@@H+]1C[C@@H](C=O)[C@@H](C)C1 75558056 572865100 /nfs/dbraw/zinc/86/51/00/572865100.db2.gz BUKYQTMHKCUHPJ-UWVGGRQHSA-N 1 1 169.268 1.553 10 30 ADEEMO N#CCC[C@@H]1CC[N@H+]2CCC[C@H]2N1 75569620 572865942 /nfs/dbraw/zinc/86/59/42/572865942.db2.gz GQRHUXOTFAZBQP-ZJUUUORDSA-N 1 1 179.267 1.074 10 30 ADEEMO CC[C@H](C)[N@@H+](CCO)C[C@@H](C)C#N 308155163 572866004 /nfs/dbraw/zinc/86/60/04/572866004.db2.gz SYBWTSUZYCCGNZ-UWVGGRQHSA-N 1 1 184.283 1.239 10 30 ADEEMO C=C(C)[C@H]1CC[N@H+]2CCCC[C@H]2[C@@H]1O 307016365 572866113 /nfs/dbraw/zinc/86/61/13/572866113.db2.gz OQSFYENVRIFLJY-GRYCIOLGSA-N 1 1 195.306 1.798 10 30 ADEEMO C=CC[N@H+](C)C1(CO)CCCC1 308154835 572866120 /nfs/dbraw/zinc/86/61/20/572866120.db2.gz OEDXMGUMDXPDHU-UHFFFAOYSA-N 1 1 169.268 1.409 10 30 ADEEMO C=C(C)[C@]1(O)CC[N@H+](C)C[C@H]1C 307073415 572866225 /nfs/dbraw/zinc/86/62/25/572866225.db2.gz MOJSEPCZXLTDSS-NXEZZACHSA-N 1 1 169.268 1.265 10 30 ADEEMO CC[C@@H](C)[N@@H+](CCO)C[C@@H](C)C#N 308155164 572866473 /nfs/dbraw/zinc/86/64/73/572866473.db2.gz SYBWTSUZYCCGNZ-VHSXEESVSA-N 1 1 184.283 1.239 10 30 ADEEMO C=C(Cl)C[N@H+](C[C@@H](C)O)C(C)C 307965427 572866653 /nfs/dbraw/zinc/86/66/53/572866653.db2.gz QKFZGCXSWYTXBW-SECBINFHSA-N 1 1 191.702 1.830 10 30 ADEEMO C=CCCC[N@H+]1CCN[C@H](CC)C1 308155144 572867663 /nfs/dbraw/zinc/86/76/63/572867663.db2.gz SWLBBHBKNVPFJB-LLVKDONJSA-N 1 1 182.311 1.636 10 30 ADEEMO C=CCCCN1CC[NH2+][C@H](CC)C1 308155144 572867667 /nfs/dbraw/zinc/86/76/67/572867667.db2.gz SWLBBHBKNVPFJB-LLVKDONJSA-N 1 1 182.311 1.636 10 30 ADEEMO C=C(Cl)C[N@H+](C[C@H](C)O)C(C)C 307965429 572867669 /nfs/dbraw/zinc/86/76/69/572867669.db2.gz QKFZGCXSWYTXBW-VIFPVBQESA-N 1 1 191.702 1.830 10 30 ADEEMO N#CCC[C@H]1CC[N@H+]2CCC[C@@H]2N1 75569622 572867688 /nfs/dbraw/zinc/86/76/88/572867688.db2.gz GQRHUXOTFAZBQP-VHSXEESVSA-N 1 1 179.267 1.074 10 30 ADEEMO C=CC[C@]1(O)CC[N@H+](CC)C1 307085935 572867886 /nfs/dbraw/zinc/86/78/86/572867886.db2.gz YFIFVYRRVPKXCX-VIFPVBQESA-N 1 1 155.241 1.019 10 30 ADEEMO N#CCC[C@@H]1CC[N@H+]2CCC[C@@H]2N1 75569619 572868167 /nfs/dbraw/zinc/86/81/67/572868167.db2.gz GQRHUXOTFAZBQP-NXEZZACHSA-N 1 1 179.267 1.074 10 30 ADEEMO C=CCCC[N@H+]1CCN[C@@H](CC)C1 308155145 572868694 /nfs/dbraw/zinc/86/86/94/572868694.db2.gz SWLBBHBKNVPFJB-NSHDSACASA-N 1 1 182.311 1.636 10 30 ADEEMO C=CCCCN1CC[NH2+][C@@H](CC)C1 308155145 572868697 /nfs/dbraw/zinc/86/86/97/572868697.db2.gz SWLBBHBKNVPFJB-NSHDSACASA-N 1 1 182.311 1.636 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCC[C@@H](O)[C@@H]1C 307040386 572869051 /nfs/dbraw/zinc/86/90/51/572869051.db2.gz QPEZTCZMPGCNBE-LPEHRKFASA-N 1 1 169.268 1.406 10 30 ADEEMO C[C@@H]1[C@H](CCC#N)C(=O)CC[N@@H+]1C 75570217 572870751 /nfs/dbraw/zinc/87/07/51/572870751.db2.gz ISIZJTALUKFFFK-BDAKNGLRSA-N 1 1 180.251 1.199 10 30 ADEEMO C[C@H]1[C@H](CCC#N)C(=O)CC[N@@H+]1C 75570219 572869594 /nfs/dbraw/zinc/86/95/94/572869594.db2.gz ISIZJTALUKFFFK-IUCAKERBSA-N 1 1 180.251 1.199 10 30 ADEEMO C[C@H]1[C@H](CCC#N)C(=O)CC[N@H+]1C 75570219 572869599 /nfs/dbraw/zinc/86/95/99/572869599.db2.gz ISIZJTALUKFFFK-IUCAKERBSA-N 1 1 180.251 1.199 10 30 ADEEMO CCCC(N)=[NH+]OC[C@H](C)OC 307966119 572869695 /nfs/dbraw/zinc/86/96/95/572869695.db2.gz BZRSXBSLZJYRFZ-ZETCQYMHSA-N 1 1 174.244 1.110 10 30 ADEEMO C=C(C)C[N@H+](C)[C@@H](C)[C@@H]1CCOC1 308156715 572869805 /nfs/dbraw/zinc/86/98/05/572869805.db2.gz RTRXOCIBVRHWEC-WDEREUQCSA-N 1 1 183.295 1.919 10 30 ADEEMO C=C1C[N@@H+]2CCC[C@H]2CN1CC 307022066 572869971 /nfs/dbraw/zinc/86/99/71/572869971.db2.gz CCYMSQDCRNFAMA-JTQLQIEISA-N 1 1 166.268 1.300 10 30 ADEEMO C=C1CN2CCC[C@H]2C[N@H+]1CC 307022066 572869975 /nfs/dbraw/zinc/86/99/75/572869975.db2.gz CCYMSQDCRNFAMA-JTQLQIEISA-N 1 1 166.268 1.300 10 30 ADEEMO C=C1CN2CCC[C@H]2C[N@@H+]1CC 307022066 572869977 /nfs/dbraw/zinc/86/99/77/572869977.db2.gz CCYMSQDCRNFAMA-JTQLQIEISA-N 1 1 166.268 1.300 10 30 ADEEMO CCCC(N)=[NH+]OC[C@@H](C)OC 307966118 572870029 /nfs/dbraw/zinc/87/00/29/572870029.db2.gz BZRSXBSLZJYRFZ-SSDOTTSWSA-N 1 1 174.244 1.110 10 30 ADEEMO C=C(C)C[N@H+](C)[C@H](C)[C@H]1CCOC1 308156712 572870176 /nfs/dbraw/zinc/87/01/76/572870176.db2.gz RTRXOCIBVRHWEC-MNOVXSKESA-N 1 1 183.295 1.919 10 30 ADEEMO C#CC[N@@H+](C)CCCOCC=C 308155988 572870204 /nfs/dbraw/zinc/87/02/04/572870204.db2.gz OUTIJOVVVOGQRV-UHFFFAOYSA-N 1 1 167.252 1.144 10 30 ADEEMO C=CC[N@@H+](CC(N)=O)[C@@H](C)C(C)C 308155830 572870227 /nfs/dbraw/zinc/87/02/27/572870227.db2.gz RFXGHSJHLZMRHR-VIFPVBQESA-N 1 1 184.283 1.004 10 30 ADEEMO C=C(C[NH3+])CN1CCC2(CCC2)CC1 307047493 572870251 /nfs/dbraw/zinc/87/02/51/572870251.db2.gz ONNGIRHFCKMJIC-UHFFFAOYSA-N 1 1 194.322 1.767 10 30 ADEEMO C=C(C)C[N@H+](C)[C@H](C)[C@@H]1CCOC1 308156710 572870436 /nfs/dbraw/zinc/87/04/36/572870436.db2.gz RTRXOCIBVRHWEC-GHMZBOCLSA-N 1 1 183.295 1.919 10 30 ADEEMO C=C(C)C[NH2+][C@@H]1CCCN[C@@H]1C 307099459 572870507 /nfs/dbraw/zinc/87/05/07/572870507.db2.gz WZLCWSSCUZECHW-NXEZZACHSA-N 1 1 168.284 1.293 10 30 ADEEMO C[C@@H]1[C@@H](CCC#N)C(=O)CC[N@@H+]1C 75570221 572870563 /nfs/dbraw/zinc/87/05/63/572870563.db2.gz ISIZJTALUKFFFK-RKDXNWHRSA-N 1 1 180.251 1.199 10 30 ADEEMO C[C@@H]1[C@@H](CCC#N)C(=O)CC[N@H+]1C 75570221 572870565 /nfs/dbraw/zinc/87/05/65/572870565.db2.gz ISIZJTALUKFFFK-RKDXNWHRSA-N 1 1 180.251 1.199 10 30 ADEEMO C[C@@H]1[C@H](CCC#N)C(=O)CC[N@H+]1C 75570217 572870754 /nfs/dbraw/zinc/87/07/54/572870754.db2.gz ISIZJTALUKFFFK-BDAKNGLRSA-N 1 1 180.251 1.199 10 30 ADEEMO C[C@H]1[C@@H](CCC#N)C(=O)CC[N@@H+]1C 75570223 572870976 /nfs/dbraw/zinc/87/09/76/572870976.db2.gz ISIZJTALUKFFFK-DTWKUNHWSA-N 1 1 180.251 1.199 10 30 ADEEMO C[C@H]1[C@@H](CCC#N)C(=O)CC[N@H+]1C 75570223 572870980 /nfs/dbraw/zinc/87/09/80/572870980.db2.gz ISIZJTALUKFFFK-DTWKUNHWSA-N 1 1 180.251 1.199 10 30 ADEEMO C=C(C)C[N@H+](C)[C@@H](C)[C@H]1CCOC1 308156714 572871192 /nfs/dbraw/zinc/87/11/92/572871192.db2.gz RTRXOCIBVRHWEC-QWRGUYRKSA-N 1 1 183.295 1.919 10 30 ADEEMO C=C[C@@H]([NH3+])[C@@H](N)Cc1ccccc1 238614006 572871791 /nfs/dbraw/zinc/87/17/91/572871791.db2.gz NEFWVCNQTFGEFO-MNOVXSKESA-N 1 1 176.263 1.070 10 30 ADEEMO C#CCCC[N@@H+]1CCN[C@H](C)[C@@H]1C 307080314 572871844 /nfs/dbraw/zinc/87/18/44/572871844.db2.gz OHLFBKGFRCLVHW-MNOVXSKESA-N 1 1 180.295 1.082 10 30 ADEEMO C#CCCCN1CC[NH2+][C@H](C)[C@@H]1C 307080314 572871847 /nfs/dbraw/zinc/87/18/47/572871847.db2.gz OHLFBKGFRCLVHW-MNOVXSKESA-N 1 1 180.295 1.082 10 30 ADEEMO C=CC[N@H+](C)[C@@H](C)C(=O)NC(C)C 308156774 572872043 /nfs/dbraw/zinc/87/20/43/572872043.db2.gz RWJLQXKBTFGYNL-VIFPVBQESA-N 1 1 184.283 1.017 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCC[C@@H]([C@@H](C)O)C1 307093674 572872198 /nfs/dbraw/zinc/87/21/98/572872198.db2.gz BBVLGPOUQATOHH-HBNTYKKESA-N 1 1 183.295 1.654 10 30 ADEEMO C=CC[N@H+](C)[C@H](C)C(=O)NC(C)C 308156773 572872310 /nfs/dbraw/zinc/87/23/10/572872310.db2.gz RWJLQXKBTFGYNL-SECBINFHSA-N 1 1 184.283 1.017 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)C1CCCC1 307081522 572872314 /nfs/dbraw/zinc/87/23/14/572872314.db2.gz JJAMHAMSJOMDSD-VIFPVBQESA-N 1 1 151.253 1.883 10 30 ADEEMO C=CCN=C1NC(=[NH2+])c2ccccc21 307087872 572872609 /nfs/dbraw/zinc/87/26/09/572872609.db2.gz SEAVEEUWFNIKHG-UHFFFAOYSA-N 1 1 185.230 1.548 10 30 ADEEMO C=CC[N@@H+]1CCN(C)CC[C@@H]1C 307046263 572872751 /nfs/dbraw/zinc/87/27/51/572872751.db2.gz XGWLSLVGHMCHOR-JTQLQIEISA-N 1 1 168.284 1.198 10 30 ADEEMO C=CCN1CC[N@@H+](C)CC[C@@H]1C 307046263 572872755 /nfs/dbraw/zinc/87/27/55/572872755.db2.gz XGWLSLVGHMCHOR-JTQLQIEISA-N 1 1 168.284 1.198 10 30 ADEEMO C=CCN1CC[N@H+](C)CC[C@@H]1C 307046263 572872760 /nfs/dbraw/zinc/87/27/60/572872760.db2.gz XGWLSLVGHMCHOR-JTQLQIEISA-N 1 1 168.284 1.198 10 30 ADEEMO C#C[C@H]([NH2+][C@H](C)CC#N)C(C)(C)C 308161659 572872810 /nfs/dbraw/zinc/87/28/10/572872810.db2.gz VKNPRRYZOAOFAF-ZJUUUORDSA-N 1 1 178.279 1.926 10 30 ADEEMO C#CC[N@H+](CC)C[C@H](C)COC 307967221 572872857 /nfs/dbraw/zinc/87/28/57/572872857.db2.gz CWIUDCWEAYSUAY-JTQLQIEISA-N 1 1 169.268 1.224 10 30 ADEEMO C=CCNCC[NH2+]Cc1cccs1 86139982 572872939 /nfs/dbraw/zinc/87/29/39/572872939.db2.gz GECINVYNERVXTR-UHFFFAOYSA-N 1 1 196.319 1.613 10 30 ADEEMO C=CCNCC[NH2+]CCC(F)(F)F 86140042 572873007 /nfs/dbraw/zinc/87/30/07/572873007.db2.gz LNUVCJIETCDUJZ-UHFFFAOYSA-N 1 1 196.216 1.304 10 30 ADEEMO C=CC[NH2+]CCN[C@H]1CC1(C)C 86140023 572873105 /nfs/dbraw/zinc/87/31/05/572873105.db2.gz MARHJQPSZXPFRJ-VIFPVBQESA-N 1 1 168.284 1.150 10 30 ADEEMO C#C[C@@H]([NH2+][C@H](C)CC#N)C(C)(C)C 308161656 572873108 /nfs/dbraw/zinc/87/31/08/572873108.db2.gz VKNPRRYZOAOFAF-NXEZZACHSA-N 1 1 178.279 1.926 10 30 ADEEMO C#CC[N@H+](CC)C[C@@H](C)COC 307967222 572873182 /nfs/dbraw/zinc/87/31/82/572873182.db2.gz CWIUDCWEAYSUAY-SNVBAGLBSA-N 1 1 169.268 1.224 10 30 ADEEMO CSC[C@H]1CCC[N@@H+](CC=O)C1 307967572 572873353 /nfs/dbraw/zinc/87/33/53/572873353.db2.gz SUZLHWMGGMJGSJ-VIFPVBQESA-N 1 1 187.308 1.260 10 30 ADEEMO C=CC[NH2+]CCN[C@@H]1CC1(C)C 86140024 572874073 /nfs/dbraw/zinc/87/40/73/572874073.db2.gz MARHJQPSZXPFRJ-SECBINFHSA-N 1 1 168.284 1.150 10 30 ADEEMO C[C@@H]1CCCC[C@H]1[N@@H+](C)CC=NO 714580033 572874077 /nfs/dbraw/zinc/87/40/77/572874077.db2.gz PCCNPLZHKXCIMK-NXEZZACHSA-N 1 1 184.283 1.957 10 30 ADEEMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)CC=NO 714580036 572874506 /nfs/dbraw/zinc/87/45/06/572874506.db2.gz PCCNPLZHKXCIMK-ZJUUUORDSA-N 1 1 184.283 1.957 10 30 ADEEMO C[C@H]1CCCC[C@@H]1[N@@H+](C)CC=NO 714580034 572875065 /nfs/dbraw/zinc/87/50/65/572875065.db2.gz PCCNPLZHKXCIMK-UWVGGRQHSA-N 1 1 184.283 1.957 10 30 ADEEMO C=CCC[N@H+](C)C1CC(OC)C1 308161028 572875420 /nfs/dbraw/zinc/87/54/20/572875420.db2.gz RHJQUSXEGKITOX-UHFFFAOYSA-N 1 1 169.268 1.672 10 30 ADEEMO C[C@H]1CCCC[C@H]1[N@@H+](C)CC=NO 714580035 572875626 /nfs/dbraw/zinc/87/56/26/572875626.db2.gz PCCNPLZHKXCIMK-VHSXEESVSA-N 1 1 184.283 1.957 10 30 ADEEMO CC#CC[NH2+][C@]1(CN)CCC[C@H]2C[C@H]21 307001606 572876332 /nfs/dbraw/zinc/87/63/32/572876332.db2.gz DXDRFWYLTARTMX-TUAOUCFPSA-N 1 1 192.306 1.117 10 30 ADEEMO C#C[C@](C)(CC)Nc1ccc(N)c[nH+]1 307077813 572876428 /nfs/dbraw/zinc/87/64/28/572876428.db2.gz PSLNZJBHIUUAOI-LLVKDONJSA-N 1 1 189.262 1.878 10 30 ADEEMO N#C[C@@H]1CC[C@H]2CCC[N@H+]2C1 75539000 572877065 /nfs/dbraw/zinc/87/70/65/572877065.db2.gz NQCDSBXPNRCCBR-DTWKUNHWSA-N 1 1 150.225 1.384 10 30 ADEEMO N#C[C@H]1CC[C@@H]2CCC[N@H+]2C1 75538992 572877136 /nfs/dbraw/zinc/87/71/36/572877136.db2.gz NQCDSBXPNRCCBR-BDAKNGLRSA-N 1 1 150.225 1.384 10 30 ADEEMO C#CCCN(C)C[C@H]1CCC[N@@H+]1CC 86189771 572877395 /nfs/dbraw/zinc/87/73/95/572877395.db2.gz WJPGVFOUZURCJJ-GFCCVEGCSA-N 1 1 194.322 1.426 10 30 ADEEMO C#CCC[N@@H+](C)C[C@H]1CCCN1CC 86189771 572877397 /nfs/dbraw/zinc/87/73/97/572877397.db2.gz WJPGVFOUZURCJJ-GFCCVEGCSA-N 1 1 194.322 1.426 10 30 ADEEMO C#CCC[N@H+](C)C[C@H]1CCCN1CC 86189771 572877401 /nfs/dbraw/zinc/87/74/01/572877401.db2.gz WJPGVFOUZURCJJ-GFCCVEGCSA-N 1 1 194.322 1.426 10 30 ADEEMO CC[C@H](C#N)N(C)C[C@@H]1CCC[N@H+]1C 86188593 572877508 /nfs/dbraw/zinc/87/75/08/572877508.db2.gz KLNSWORCCMUHBI-MNOVXSKESA-N 1 1 195.310 1.315 10 30 ADEEMO C=CC[N@@H+](CCO)CCCCCF 308157604 572877838 /nfs/dbraw/zinc/87/78/38/572877838.db2.gz UYCATVVBVGBZJW-UHFFFAOYSA-N 1 1 189.274 1.607 10 30 ADEEMO CC[C@@H](C#N)N(C)C[C@@H]1CCC[N@H+]1C 86188591 572877997 /nfs/dbraw/zinc/87/79/97/572877997.db2.gz KLNSWORCCMUHBI-QWRGUYRKSA-N 1 1 195.310 1.315 10 30 ADEEMO C#CCCN(C)C[C@@H]1CCC[N@@H+]1CC 86189773 572878026 /nfs/dbraw/zinc/87/80/26/572878026.db2.gz WJPGVFOUZURCJJ-LBPRGKRZSA-N 1 1 194.322 1.426 10 30 ADEEMO C#CCC[N@@H+](C)C[C@@H]1CCCN1CC 86189773 572878030 /nfs/dbraw/zinc/87/80/30/572878030.db2.gz WJPGVFOUZURCJJ-LBPRGKRZSA-N 1 1 194.322 1.426 10 30 ADEEMO C#CCC[N@H+](C)C[C@@H]1CCCN1CC 86189773 572878035 /nfs/dbraw/zinc/87/80/35/572878035.db2.gz WJPGVFOUZURCJJ-LBPRGKRZSA-N 1 1 194.322 1.426 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)CCOC(F)(F)F 308158081 572878226 /nfs/dbraw/zinc/87/82/26/572878226.db2.gz SSBQOGLCEPVKFS-ZETCQYMHSA-N 1 1 195.184 1.476 10 30 ADEEMO C=CC[N@H+](CCOC)[C@@H](C)C=C 307971616 572878361 /nfs/dbraw/zinc/87/83/61/572878361.db2.gz HMQYEFORWUYXRD-JTQLQIEISA-N 1 1 169.268 1.695 10 30 ADEEMO N#C[C@@H]1CC[C@@H]2CCC[N@H+]2C1 75539002 572878503 /nfs/dbraw/zinc/87/85/03/572878503.db2.gz NQCDSBXPNRCCBR-IUCAKERBSA-N 1 1 150.225 1.384 10 30 ADEEMO CC[N@H+]1CCC[C@H]1CN(C)[C@@H](C)C#N 86188607 572878529 /nfs/dbraw/zinc/87/85/29/572878529.db2.gz LOTOFKBPNBKCDP-QWRGUYRKSA-N 1 1 195.310 1.315 10 30 ADEEMO N#C[C@H]1CC[C@H]2CCC[N@H+]2C1 75538990 572878806 /nfs/dbraw/zinc/87/88/06/572878806.db2.gz NQCDSBXPNRCCBR-RKDXNWHRSA-N 1 1 150.225 1.384 10 30 ADEEMO CN(C)[NH+]=Cc1ccc(N)cc1Cl 307971156 572879517 /nfs/dbraw/zinc/87/95/17/572879517.db2.gz HONYCKPXSYFXGT-UHFFFAOYSA-N 1 1 197.669 1.818 10 30 ADEEMO C=CC[N@H+](CC)C[C@@H](O)CSC 307971360 572879556 /nfs/dbraw/zinc/87/95/56/572879556.db2.gz HKDGXPKFSAEHTC-SECBINFHSA-N 1 1 189.324 1.218 10 30 ADEEMO C=CC[N@H+](CC)C[C@H](O)CSC 307971362 572880037 /nfs/dbraw/zinc/88/00/37/572880037.db2.gz HKDGXPKFSAEHTC-VIFPVBQESA-N 1 1 189.324 1.218 10 30 ADEEMO CC[N@H+]1CCC[C@@H]1CN(C)[C@@H](C)C#N 86188605 572880405 /nfs/dbraw/zinc/88/04/05/572880405.db2.gz LOTOFKBPNBKCDP-WDEREUQCSA-N 1 1 195.310 1.315 10 30 ADEEMO C=CC[N@@H+](CC1CC1)[C@H]1C[C@@H]1CO 308160085 572880500 /nfs/dbraw/zinc/88/05/00/572880500.db2.gz DLANEQSCFRDNBY-MNOVXSKESA-N 1 1 181.279 1.265 10 30 ADEEMO C=CC[N@@H+](CC1CC1)[C@H]1C[C@H]1CO 308160086 572880703 /nfs/dbraw/zinc/88/07/03/572880703.db2.gz DLANEQSCFRDNBY-QWRGUYRKSA-N 1 1 181.279 1.265 10 30 ADEEMO C=CC[N@@H+](CC1CC1)[C@@H]1C[C@H]1CO 308160087 572880868 /nfs/dbraw/zinc/88/08/68/572880868.db2.gz DLANEQSCFRDNBY-WDEREUQCSA-N 1 1 181.279 1.265 10 30 ADEEMO C=CCC[N@H+](C)[C@@H](CN)CCC 307971953 572880882 /nfs/dbraw/zinc/88/08/82/572880882.db2.gz YPUBWZNKLSCMPL-SNVBAGLBSA-N 1 1 170.300 1.622 10 30 ADEEMO C=CCCN(C)[C@@H](C[NH3+])CCC 307971953 572880888 /nfs/dbraw/zinc/88/08/88/572880888.db2.gz YPUBWZNKLSCMPL-SNVBAGLBSA-N 1 1 170.300 1.622 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCC[C@H]([C@H](C)O)C1 307093665 572881028 /nfs/dbraw/zinc/88/10/28/572881028.db2.gz BBVLGPOUQATOHH-DCAQKATOSA-N 1 1 183.295 1.654 10 30 ADEEMO C=CC[N@H+](CCN)[C@@H](C)C(C)C 307972445 572881196 /nfs/dbraw/zinc/88/11/96/572881196.db2.gz ZBECRACOWYJNIU-JTQLQIEISA-N 1 1 170.300 1.478 10 30 ADEEMO C=CCN(CC[NH3+])[C@@H](C)C(C)C 307972445 572881199 /nfs/dbraw/zinc/88/11/99/572881199.db2.gz ZBECRACOWYJNIU-JTQLQIEISA-N 1 1 170.300 1.478 10 30 ADEEMO C=CC[N@H+](C(C)C)[C@@H]1C[C@H]1CO 307967819 572881505 /nfs/dbraw/zinc/88/15/05/572881505.db2.gz TWWXEFNAIKCQCA-VHSXEESVSA-N 1 1 169.268 1.264 10 30 ADEEMO C=CC[N@H+](CC)CC(OC)OC 307968026 572882540 /nfs/dbraw/zinc/88/25/40/572882540.db2.gz DOCDQHNAGKUBJC-UHFFFAOYSA-N 1 1 173.256 1.113 10 30 ADEEMO C#CC[N@@H+](CC(C)(C)O)C(C)C 307972443 572882577 /nfs/dbraw/zinc/88/25/77/572882577.db2.gz ZBDDIDZKFQTZOT-UHFFFAOYSA-N 1 1 169.268 1.101 10 30 ADEEMO C=CC[N@H+](CCN)[C@H](C)C(C)C 307972446 572882739 /nfs/dbraw/zinc/88/27/39/572882739.db2.gz ZBECRACOWYJNIU-SNVBAGLBSA-N 1 1 170.300 1.478 10 30 ADEEMO C=CCN(CC[NH3+])[C@H](C)C(C)C 307972446 572882742 /nfs/dbraw/zinc/88/27/42/572882742.db2.gz ZBECRACOWYJNIU-SNVBAGLBSA-N 1 1 170.300 1.478 10 30 ADEEMO C=CC[N@H+](C(C)C)[C@@H]1C[C@@H]1CO 307967815 572882791 /nfs/dbraw/zinc/88/27/91/572882791.db2.gz TWWXEFNAIKCQCA-NXEZZACHSA-N 1 1 169.268 1.264 10 30 ADEEMO C=CCC[N@H+]1C[C@H](C)[C@@](C)(CN)C1 308165422 572882895 /nfs/dbraw/zinc/88/28/95/572882895.db2.gz ZCSODERWSZVDMS-QWRGUYRKSA-N 1 1 182.311 1.479 10 30 ADEEMO C=CCC[N@@H+]1C[C@H](C)[C@@](C)(CN)C1 308165422 572882901 /nfs/dbraw/zinc/88/29/01/572882901.db2.gz ZCSODERWSZVDMS-QWRGUYRKSA-N 1 1 182.311 1.479 10 30 ADEEMO C=CCC[N@H+]1C[C@@H](C)[C@](C)(CN)C1 308165418 572882923 /nfs/dbraw/zinc/88/29/23/572882923.db2.gz ZCSODERWSZVDMS-GHMZBOCLSA-N 1 1 182.311 1.479 10 30 ADEEMO C=CCC[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 308165418 572882928 /nfs/dbraw/zinc/88/29/28/572882928.db2.gz ZCSODERWSZVDMS-GHMZBOCLSA-N 1 1 182.311 1.479 10 30 ADEEMO C#CCCC[N@@H+]1CCN[C@@H](C)[C@H]1C 307080318 572882941 /nfs/dbraw/zinc/88/29/41/572882941.db2.gz OHLFBKGFRCLVHW-WDEREUQCSA-N 1 1 180.295 1.082 10 30 ADEEMO C#CCCCN1CC[NH2+][C@@H](C)[C@H]1C 307080318 572882946 /nfs/dbraw/zinc/88/29/46/572882946.db2.gz OHLFBKGFRCLVHW-WDEREUQCSA-N 1 1 180.295 1.082 10 30 ADEEMO C=CC[N@H+](C(C)C)[C@H]1C[C@@H]1CO 307967821 572883000 /nfs/dbraw/zinc/88/30/00/572883000.db2.gz TWWXEFNAIKCQCA-ZJUUUORDSA-N 1 1 169.268 1.264 10 30 ADEEMO C=CC[N@H+](CCOC)[C@H](C)C=C 307971617 572883074 /nfs/dbraw/zinc/88/30/74/572883074.db2.gz HMQYEFORWUYXRD-SNVBAGLBSA-N 1 1 169.268 1.695 10 30 ADEEMO C=CCC[N@H+]1C[C@@H](C)[C@@](C)(CN)C1 308165419 572883149 /nfs/dbraw/zinc/88/31/49/572883149.db2.gz ZCSODERWSZVDMS-MNOVXSKESA-N 1 1 182.311 1.479 10 30 ADEEMO C=CCC[N@@H+]1C[C@@H](C)[C@@](C)(CN)C1 308165419 572883151 /nfs/dbraw/zinc/88/31/51/572883151.db2.gz ZCSODERWSZVDMS-MNOVXSKESA-N 1 1 182.311 1.479 10 30 ADEEMO C=CC[N@H+](C(C)C)[C@H]1C[C@H]1CO 307967817 572883269 /nfs/dbraw/zinc/88/32/69/572883269.db2.gz TWWXEFNAIKCQCA-UWVGGRQHSA-N 1 1 169.268 1.264 10 30 ADEEMO C=CCC[N@H+]1C[C@H](C)[C@](C)(CN)C1 308165423 572883558 /nfs/dbraw/zinc/88/35/58/572883558.db2.gz ZCSODERWSZVDMS-WDEREUQCSA-N 1 1 182.311 1.479 10 30 ADEEMO C=CCC[N@@H+]1C[C@H](C)[C@](C)(CN)C1 308165423 572883560 /nfs/dbraw/zinc/88/35/60/572883560.db2.gz ZCSODERWSZVDMS-WDEREUQCSA-N 1 1 182.311 1.479 10 30 ADEEMO C#C/C=C\C[N@H+](CCO)CCCC 308165734 572883814 /nfs/dbraw/zinc/88/38/14/572883814.db2.gz QZVWPAJPWIWHJC-ALCCZGGFSA-N 1 1 181.279 1.270 10 30 ADEEMO C=C[C@@H](C)[N@H+](CCOC)C1CC1 307968605 572883981 /nfs/dbraw/zinc/88/39/81/572883981.db2.gz FFEAEWHKRNDMRP-SECBINFHSA-N 1 1 169.268 1.672 10 30 ADEEMO C=CC[NH2+][C@](C)(CN)[C@@H](C)CC 307969084 572884112 /nfs/dbraw/zinc/88/41/12/572884112.db2.gz VWAOYSXWIGOYPJ-VHSXEESVSA-N 1 1 170.300 1.526 10 30 ADEEMO C=C[C@H](C)[N@H+](CCOC)C1CC1 307968606 572884161 /nfs/dbraw/zinc/88/41/61/572884161.db2.gz FFEAEWHKRNDMRP-VIFPVBQESA-N 1 1 169.268 1.672 10 30 ADEEMO C=CCO[C@H]1CC[N@@H+](CC=C)C1 307968734 572884230 /nfs/dbraw/zinc/88/42/30/572884230.db2.gz VKPJUINUQRFWQE-JTQLQIEISA-N 1 1 167.252 1.449 10 30 ADEEMO C#CC[N@@H+](C)CCc1ccsc1 307968127 572884772 /nfs/dbraw/zinc/88/47/72/572884772.db2.gz DRGPCCBRKFBUAX-UHFFFAOYSA-N 1 1 179.288 1.856 10 30 ADEEMO C#C[C@@H](C)[N@H+](C)CCCCOC 307969147 572884886 /nfs/dbraw/zinc/88/48/86/572884886.db2.gz FQBCURDYKWTSPJ-SNVBAGLBSA-N 1 1 169.268 1.367 10 30 ADEEMO C=CC[NH2+][C@](C)(CN)[C@H](C)CC 307969082 572884949 /nfs/dbraw/zinc/88/49/49/572884949.db2.gz VWAOYSXWIGOYPJ-NXEZZACHSA-N 1 1 170.300 1.526 10 30 ADEEMO C[C@H](CCO)/[NH+]=C\c1ccccc1 308166695 572885043 /nfs/dbraw/zinc/88/50/43/572885043.db2.gz ROSUTAHFPSTJPJ-WJEYQPDNSA-N 1 1 177.247 1.876 10 30 ADEEMO C=C1[C@H]2CCC[C@]1(CO)C[N@@H+](CC)C2 307069860 572885085 /nfs/dbraw/zinc/88/50/85/572885085.db2.gz UTXQCGKHEBNIBP-NWDGAFQWSA-N 1 1 195.306 1.657 10 30 ADEEMO C=C1CCC[N@@H+](C[C@H]2CCCO2)C1 307029882 572885939 /nfs/dbraw/zinc/88/59/39/572885939.db2.gz CZDBVJQJTAZMNJ-LLVKDONJSA-N 1 1 181.279 1.817 10 30 ADEEMO C=CCO[C@@H]1CC[N@@H+](CC=C)C1 307968735 572886241 /nfs/dbraw/zinc/88/62/41/572886241.db2.gz VKPJUINUQRFWQE-SNVBAGLBSA-N 1 1 167.252 1.449 10 30 ADEEMO C#CCO[NH+]=C(N)CCC(C)C 307968468 572886735 /nfs/dbraw/zinc/88/67/35/572886735.db2.gz UWJFXHJUFNZPBO-UHFFFAOYSA-N 1 1 168.240 1.345 10 30 ADEEMO C=CC[NH2+][C@@](C)(CN)[C@@H](C)CC 307969083 572886778 /nfs/dbraw/zinc/88/67/78/572886778.db2.gz VWAOYSXWIGOYPJ-UWVGGRQHSA-N 1 1 170.300 1.526 10 30 ADEEMO C[C@@H](CCO)/[NH+]=C\c1ccccc1 308166690 572887225 /nfs/dbraw/zinc/88/72/25/572887225.db2.gz ROSUTAHFPSTJPJ-JMZICWNOSA-N 1 1 177.247 1.876 10 30 ADEEMO C=CC[N@H+](CCO)[C@H](C)C(C)C 307970125 572887238 /nfs/dbraw/zinc/88/72/38/572887238.db2.gz WLDDABNOGKSAPT-SNVBAGLBSA-N 1 1 171.284 1.511 10 30 ADEEMO C=C[C@@H](C)[NH+]1CC(n2cccn2)C1 307069556 572887468 /nfs/dbraw/zinc/88/74/68/572887468.db2.gz UAEUTBRLAYBHQA-SECBINFHSA-N 1 1 177.251 1.314 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCC[C@H](O)[C@@H]1C 307040377 572887510 /nfs/dbraw/zinc/88/75/10/572887510.db2.gz QPEZTCZMPGCNBE-GUBZILKMSA-N 1 1 169.268 1.406 10 30 ADEEMO C=C[C@H](C)[NH2+][C@H]1CCCN[C@H]1C 307042747 572888418 /nfs/dbraw/zinc/88/84/18/572888418.db2.gz CEFNWFOGJMMYPW-GUBZILKMSA-N 1 1 168.284 1.291 10 30 ADEEMO CCOC[C@H](C)[N@@H+](C)CCC#N 308172451 572891928 /nfs/dbraw/zinc/89/19/28/572891928.db2.gz XHPDMLQKASQSHR-VIFPVBQESA-N 1 1 170.256 1.257 10 30 ADEEMO C=C[C@H](C)[NH2+][C@H]1CCCN[C@@H]1C 307042746 572889096 /nfs/dbraw/zinc/88/90/96/572889096.db2.gz CEFNWFOGJMMYPW-AEJSXWLSSA-N 1 1 168.284 1.291 10 30 ADEEMO CCON=C1C[N@@H+](CC)C[C@@H]1C 308168442 572890615 /nfs/dbraw/zinc/89/06/15/572890615.db2.gz VOCMBIKEQFDAAS-QMMMGPOBSA-N 1 1 170.256 1.351 10 30 ADEEMO C=CCCC[N@H+](CC)C[C@@H](C)O 307978361 572890713 /nfs/dbraw/zinc/89/07/13/572890713.db2.gz NBBDZFIXHFLDRB-SNVBAGLBSA-N 1 1 171.284 1.655 10 30 ADEEMO C=CCC[C@]1(O)CC[N@H+]2CCCC[C@H]21 307013136 572890747 /nfs/dbraw/zinc/89/07/47/572890747.db2.gz NIAIPRZCRAHIPD-RYUDHWBXSA-N 1 1 195.306 1.942 10 30 ADEEMO C=CCCC[N@H+](CC)C[C@H](C)O 307978360 572891669 /nfs/dbraw/zinc/89/16/69/572891669.db2.gz NBBDZFIXHFLDRB-JTQLQIEISA-N 1 1 171.284 1.655 10 30 ADEEMO C[C@@H](CO)/[NH+]=C\Cc1ccccc1 308171766 572891766 /nfs/dbraw/zinc/89/17/66/572891766.db2.gz WBKMQKCURZYIRN-UVIKPUKZSA-N 1 1 177.247 1.681 10 30 ADEEMO C#CC[N@@H+]1CCCCC[C@@H]1CCO 307083261 572891862 /nfs/dbraw/zinc/89/18/62/572891862.db2.gz KJJKHRRAIXNXBM-LLVKDONJSA-N 1 1 181.279 1.247 10 30 ADEEMO CCOC[C@H](C)[N@H+](C)CCC#N 308172451 572891925 /nfs/dbraw/zinc/89/19/25/572891925.db2.gz XHPDMLQKASQSHR-VIFPVBQESA-N 1 1 170.256 1.257 10 30 ADEEMO C=CC[NH+](CC=C)CC[S@@](C)=O 308171412 572892662 /nfs/dbraw/zinc/89/26/62/572892662.db2.gz WYIHMSISJMOBOT-GFCCVEGCSA-N 1 1 187.308 1.039 10 30 ADEEMO C#CC[N@H+](CC#CC)CC(=C)CC 308172177 572892991 /nfs/dbraw/zinc/89/29/91/572892991.db2.gz CTSPRAZCQYEDJV-UHFFFAOYSA-N 1 1 175.275 1.911 10 30 ADEEMO C#CC[N@@H+](CC#CC)CC(=C)CC 308172177 572892993 /nfs/dbraw/zinc/89/29/93/572892993.db2.gz CTSPRAZCQYEDJV-UHFFFAOYSA-N 1 1 175.275 1.911 10 30 ADEEMO Cc1[nH+]ccn1CCO[C@@H](C)C#N 308172592 572893190 /nfs/dbraw/zinc/89/31/90/572893190.db2.gz DAPVMZKVTGLJPK-QMMMGPOBSA-N 1 1 179.223 1.120 10 30 ADEEMO C=C(C)CC[N@H+](C)[C@H](C)COC 307974677 572893283 /nfs/dbraw/zinc/89/32/83/572893283.db2.gz JWKBKMHFIUNVJU-SNVBAGLBSA-N 1 1 171.284 1.919 10 30 ADEEMO C=C(C[N@@H+](C)[C@@H](C)C1CC1)OC 308172457 572893291 /nfs/dbraw/zinc/89/32/91/572893291.db2.gz XIFJWSGWEVNCBF-VIFPVBQESA-N 1 1 169.268 1.877 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)CC1(C)CC1 307075161 572893524 /nfs/dbraw/zinc/89/35/24/572893524.db2.gz FAEOCWCUPKFZLA-VIFPVBQESA-N 1 1 151.253 1.740 10 30 ADEEMO C=C(C)CC[N@H+](C)[C@@H](C)COC 307974676 572893536 /nfs/dbraw/zinc/89/35/36/572893536.db2.gz JWKBKMHFIUNVJU-JTQLQIEISA-N 1 1 171.284 1.919 10 30 ADEEMO C=CC[N@@H+](C1CC1)C(C)(C)CO 307973178 572893658 /nfs/dbraw/zinc/89/36/58/572893658.db2.gz ZXAKGTPWMKTPJX-UHFFFAOYSA-N 1 1 169.268 1.408 10 30 ADEEMO N#Cc1c[nH+]c2cccc3ccnc1-n-3-2 75595752 572894185 /nfs/dbraw/zinc/89/41/85/572894185.db2.gz JPRCAMASGHEBDE-UHFFFAOYSA-N 1 1 194.197 1.682 10 30 ADEEMO C=C[C@H](C)N1CC[C@H](C[NH+](C)C)C1 308164824 572895430 /nfs/dbraw/zinc/89/54/30/572895430.db2.gz XAYVSKOOXGRWON-WDEREUQCSA-N 1 1 182.311 1.444 10 30 ADEEMO C=CC[C@@H]([NH3+])C(=O)C#Cc1ccccc1 307050433 572894251 /nfs/dbraw/zinc/89/42/51/572894251.db2.gz RIQLWZRDYMHFBM-GFCCVEGCSA-N 1 1 199.253 1.511 10 30 ADEEMO C=C[C@H](C)[N@@H+]1CC[C@H](CN(C)C)C1 308164824 572895432 /nfs/dbraw/zinc/89/54/32/572895432.db2.gz XAYVSKOOXGRWON-WDEREUQCSA-N 1 1 182.311 1.444 10 30 ADEEMO C=C[C@H](C)[N@H+]1CC[C@H](CN(C)C)C1 308164824 572895434 /nfs/dbraw/zinc/89/54/34/572895434.db2.gz XAYVSKOOXGRWON-WDEREUQCSA-N 1 1 182.311 1.444 10 30 ADEEMO C=C[C@@H](C)N1CC[C@@H](C[NH+](C)C)C1 308164819 572894602 /nfs/dbraw/zinc/89/46/02/572894602.db2.gz XAYVSKOOXGRWON-MNOVXSKESA-N 1 1 182.311 1.444 10 30 ADEEMO C=C[C@@H](C)[N@@H+]1CC[C@@H](CN(C)C)C1 308164819 572894605 /nfs/dbraw/zinc/89/46/05/572894605.db2.gz XAYVSKOOXGRWON-MNOVXSKESA-N 1 1 182.311 1.444 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CC[C@@H](CN(C)C)C1 308164819 572894608 /nfs/dbraw/zinc/89/46/08/572894608.db2.gz XAYVSKOOXGRWON-MNOVXSKESA-N 1 1 182.311 1.444 10 30 ADEEMO C#CCCC[N@@H+]1CCN[C@@H](C)[C@@H]1C 307080316 572894636 /nfs/dbraw/zinc/89/46/36/572894636.db2.gz OHLFBKGFRCLVHW-QWRGUYRKSA-N 1 1 180.295 1.082 10 30 ADEEMO C#CCCCN1CC[NH2+][C@@H](C)[C@@H]1C 307080316 572894638 /nfs/dbraw/zinc/89/46/38/572894638.db2.gz OHLFBKGFRCLVHW-QWRGUYRKSA-N 1 1 180.295 1.082 10 30 ADEEMO O=C[C@@H]1CCC[N@H+](CCCCF)C1 308164525 572894983 /nfs/dbraw/zinc/89/49/83/572894983.db2.gz YRJHHJSCDSJRJI-SNVBAGLBSA-N 1 1 187.258 1.647 10 30 ADEEMO C#CC[N@H+](CCC)C[C@H](O)CC 307973532 572895115 /nfs/dbraw/zinc/89/51/15/572895115.db2.gz IVXOWWFSEDVJEY-SNVBAGLBSA-N 1 1 169.268 1.103 10 30 ADEEMO C#C[C@]1(O)CC[N@H+](C[C@H](C)CC)C1 307001233 572895272 /nfs/dbraw/zinc/89/52/72/572895272.db2.gz BBZQUMGUCQTSDC-MNOVXSKESA-N 1 1 181.279 1.103 10 30 ADEEMO CC(C)(O)CC[N@H+](CCC#N)C1CC1 86234135 572896454 /nfs/dbraw/zinc/89/64/54/572896454.db2.gz YZNVQFUSRUPBJK-UHFFFAOYSA-N 1 1 196.294 1.525 10 30 ADEEMO CC(C)(O)CC[N@@H+](CCC#N)C1CC1 86234135 572896457 /nfs/dbraw/zinc/89/64/57/572896457.db2.gz YZNVQFUSRUPBJK-UHFFFAOYSA-N 1 1 196.294 1.525 10 30 ADEEMO N#CCCCC[N@@H+]1CCO[C@@H]2C[C@@H]21 308176250 572897417 /nfs/dbraw/zinc/89/74/17/572897417.db2.gz LJHXWSDSGFVAPI-VHSXEESVSA-N 1 1 180.251 1.153 10 30 ADEEMO N#CCCCC[N@H+]1CCO[C@@H]2C[C@@H]21 308176250 572897420 /nfs/dbraw/zinc/89/74/20/572897420.db2.gz LJHXWSDSGFVAPI-VHSXEESVSA-N 1 1 180.251 1.153 10 30 ADEEMO C=CC[N@@H+]1CCC[C@H]1CN(C)C 308175189 572897542 /nfs/dbraw/zinc/89/75/42/572897542.db2.gz YYRGAAXPNHDVQR-JTQLQIEISA-N 1 1 168.284 1.198 10 30 ADEEMO C=CCN1CCC[C@H]1C[NH+](C)C 308175189 572897545 /nfs/dbraw/zinc/89/75/45/572897545.db2.gz YYRGAAXPNHDVQR-JTQLQIEISA-N 1 1 168.284 1.198 10 30 ADEEMO CC(C)[N@@H+](CCC#N)CCC(C)(C)O 86234133 572897630 /nfs/dbraw/zinc/89/76/30/572897630.db2.gz LEZSUPOJPYOBCT-UHFFFAOYSA-N 1 1 198.310 1.771 10 30 ADEEMO C=CC[N@@H+]1CCC[C@@H]1CN(C)C 308175193 572898095 /nfs/dbraw/zinc/89/80/95/572898095.db2.gz YYRGAAXPNHDVQR-SNVBAGLBSA-N 1 1 168.284 1.198 10 30 ADEEMO C=CCN1CCC[C@@H]1C[NH+](C)C 308175193 572898098 /nfs/dbraw/zinc/89/80/98/572898098.db2.gz YYRGAAXPNHDVQR-SNVBAGLBSA-N 1 1 168.284 1.198 10 30 ADEEMO N#CCCCC[N@@H+]1CCO[C@H]2C[C@H]21 308176252 572898588 /nfs/dbraw/zinc/89/85/88/572898588.db2.gz LJHXWSDSGFVAPI-ZJUUUORDSA-N 1 1 180.251 1.153 10 30 ADEEMO N#CCCCC[N@H+]1CCO[C@H]2C[C@H]21 308176252 572898589 /nfs/dbraw/zinc/89/85/89/572898589.db2.gz LJHXWSDSGFVAPI-ZJUUUORDSA-N 1 1 180.251 1.153 10 30 ADEEMO CC(C)(O)CC[N@H+]1CCC[C@@H](C=O)C1 86237407 572898623 /nfs/dbraw/zinc/89/86/23/572898623.db2.gz YXNZUYSLHPDYTN-SNVBAGLBSA-N 1 1 199.294 1.058 10 30 ADEEMO C=CC[NH2+]CCNC1C(C)(C)C1(C)C 86241231 572899107 /nfs/dbraw/zinc/89/91/07/572899107.db2.gz CCLOJWLJYCEECZ-UHFFFAOYSA-N 1 1 196.338 1.786 10 30 ADEEMO N#Cc1ccccc1C1=NNC(=[NH2+])CC1 236271242 572899149 /nfs/dbraw/zinc/89/91/49/572899149.db2.gz ZRZUQSQRDVZCOD-UHFFFAOYSA-N 1 1 198.229 1.413 10 30 ADEEMO C[C@@H](C#N)OCC[N@@H+](C)C1CCC1 308172962 572899238 /nfs/dbraw/zinc/89/92/38/572899238.db2.gz DEAWCYILLGWREZ-VIFPVBQESA-N 1 1 182.267 1.399 10 30 ADEEMO CC(C)(O)CC[N@H+]1CCC[C@H](C=O)C1 86237406 572899516 /nfs/dbraw/zinc/89/95/16/572899516.db2.gz YXNZUYSLHPDYTN-JTQLQIEISA-N 1 1 199.294 1.058 10 30 ADEEMO C[C@H](C#N)OCC[N@@H+](C)C1CCC1 308172961 572899542 /nfs/dbraw/zinc/89/95/42/572899542.db2.gz DEAWCYILLGWREZ-SECBINFHSA-N 1 1 182.267 1.399 10 30 ADEEMO CC(C)(O)CC[N@H+]1CCCC[C@H]1C=O 86237411 572899598 /nfs/dbraw/zinc/89/95/98/572899598.db2.gz IKKVAUQQNRCGPR-JTQLQIEISA-N 1 1 199.294 1.201 10 30 ADEEMO CC[C@H](COC)[N@@H+](C)C[C@@H](C)C#N 308172882 572899801 /nfs/dbraw/zinc/89/98/01/572899801.db2.gz BZJXFYZSZJGLBI-VHSXEESVSA-N 1 1 184.283 1.503 10 30 ADEEMO CC(C)(O)CC[N@H+]1CCCC[C@@H]1C=O 86237410 572899815 /nfs/dbraw/zinc/89/98/15/572899815.db2.gz IKKVAUQQNRCGPR-SNVBAGLBSA-N 1 1 199.294 1.201 10 30 ADEEMO CC[C@@H](COC)[N@@H+](C)C[C@@H](C)C#N 308172881 572899844 /nfs/dbraw/zinc/89/98/44/572899844.db2.gz BZJXFYZSZJGLBI-UWVGGRQHSA-N 1 1 184.283 1.503 10 30 ADEEMO CC[C@@H](COC)[N@@H+](C)C[C@H](C)C#N 308172883 572900049 /nfs/dbraw/zinc/90/00/49/572900049.db2.gz BZJXFYZSZJGLBI-ZJUUUORDSA-N 1 1 184.283 1.503 10 30 ADEEMO CCCc1[nH+]ccn1CC[C@@H]1CO1 308176713 572900269 /nfs/dbraw/zinc/90/02/69/572900269.db2.gz BDDJHQBXBXFVGU-SECBINFHSA-N 1 1 180.251 1.625 10 30 ADEEMO C#CCC[N@H+](C)C1CC(OC)C1 308173089 572900322 /nfs/dbraw/zinc/90/03/22/572900322.db2.gz XPJXOIWXZFUSEI-UHFFFAOYSA-N 1 1 167.252 1.119 10 30 ADEEMO C=CCN(C)CC[N@H+](CC)CCC 308173623 572901697 /nfs/dbraw/zinc/90/16/97/572901697.db2.gz CJFXNLVLWHDNLR-UHFFFAOYSA-N 1 1 184.327 1.836 10 30 ADEEMO CCCc1[nH+]ccn1CC[C@H]1CO1 308176718 572901068 /nfs/dbraw/zinc/90/10/68/572901068.db2.gz BDDJHQBXBXFVGU-VIFPVBQESA-N 1 1 180.251 1.625 10 30 ADEEMO C=CCC[N@@H+]1CCC[C@H](C)[C@H]1CO 308177947 572901670 /nfs/dbraw/zinc/90/16/70/572901670.db2.gz GDKJJDKEBXVVDP-WDEREUQCSA-N 1 1 183.295 1.655 10 30 ADEEMO C=CCC[N@@H+]1CCC[C@H](C)[C@@H]1CO 308177941 572901875 /nfs/dbraw/zinc/90/18/75/572901875.db2.gz GDKJJDKEBXVVDP-QWRGUYRKSA-N 1 1 183.295 1.655 10 30 ADEEMO CC[C@@H](CC#N)[N@@H+](CC)CC(C)(C)O 86273738 572902635 /nfs/dbraw/zinc/90/26/35/572902635.db2.gz GAEIDWNIIYSQHQ-JTQLQIEISA-N 1 1 198.310 1.771 10 30 ADEEMO C=CCC[N@@H+]1CCC[C@@H](C)[C@@H]1CO 308177935 572902822 /nfs/dbraw/zinc/90/28/22/572902822.db2.gz GDKJJDKEBXVVDP-MNOVXSKESA-N 1 1 183.295 1.655 10 30 ADEEMO CC[C@H](CC#N)[N@@H+](CC)CC(C)(C)O 86273739 572903367 /nfs/dbraw/zinc/90/33/67/572903367.db2.gz GAEIDWNIIYSQHQ-SNVBAGLBSA-N 1 1 198.310 1.771 10 30 ADEEMO C=C[C@@H]([NH2+]CCC)c1cnn(C)n1 308179161 572904256 /nfs/dbraw/zinc/90/42/56/572904256.db2.gz GJCHDOIFFBIZBZ-MRVPVSSYSA-N 1 1 180.255 1.042 10 30 ADEEMO C=C[C@H](C)[N@@H+](CC)CC(C)(C)O 86274847 572904297 /nfs/dbraw/zinc/90/42/97/572904297.db2.gz FCRRLKDFJVSZFY-VIFPVBQESA-N 1 1 171.284 1.654 10 30 ADEEMO C[C@H](CCC#N)[N@@H+](C)CC=NO 714588420 572904470 /nfs/dbraw/zinc/90/44/70/572904470.db2.gz ZQJVOLUGQJBIMB-MRVPVSSYSA-N 1 1 169.228 1.070 10 30 ADEEMO CC[N@@H+](CC(C)(C)O)[C@H](C)CC#N 86273716 572904417 /nfs/dbraw/zinc/90/44/17/572904417.db2.gz XQRFSEAPGGJERN-SECBINFHSA-N 1 1 184.283 1.381 10 30 ADEEMO C[C@H](CCC#N)[N@H+](C)CC=NO 714588420 572904468 /nfs/dbraw/zinc/90/44/68/572904468.db2.gz ZQJVOLUGQJBIMB-MRVPVSSYSA-N 1 1 169.228 1.070 10 30 ADEEMO C=C[C@H]([NH2+]CCC)c1cnn(C)n1 308179162 572904613 /nfs/dbraw/zinc/90/46/13/572904613.db2.gz GJCHDOIFFBIZBZ-QMMMGPOBSA-N 1 1 180.255 1.042 10 30 ADEEMO CC[C@H](CC#N)[N@@H+](C)CC(C)(C)O 86273706 572904979 /nfs/dbraw/zinc/90/49/79/572904979.db2.gz PKGBFCLNNQTMBU-SECBINFHSA-N 1 1 184.283 1.381 10 30 ADEEMO C=C[C@@H](C)[N@@H+](CC)CC(C)(C)O 86274848 572905038 /nfs/dbraw/zinc/90/50/38/572905038.db2.gz FCRRLKDFJVSZFY-SECBINFHSA-N 1 1 171.284 1.654 10 30 ADEEMO C[C@@H](CCC#N)[N@H+](C)CC=NO 714588422 572905607 /nfs/dbraw/zinc/90/56/07/572905607.db2.gz ZQJVOLUGQJBIMB-QMMMGPOBSA-N 1 1 169.228 1.070 10 30 ADEEMO C[C@@H](CCC#N)[N@@H+](C)CC=NO 714588422 572905611 /nfs/dbraw/zinc/90/56/11/572905611.db2.gz ZQJVOLUGQJBIMB-QMMMGPOBSA-N 1 1 169.228 1.070 10 30 ADEEMO CC[C@@H](CC#N)[N@@H+](C)CC(C)(C)O 86273705 572905658 /nfs/dbraw/zinc/90/56/58/572905658.db2.gz PKGBFCLNNQTMBU-VIFPVBQESA-N 1 1 184.283 1.381 10 30 ADEEMO C=C(CN)C[N@H+]1[C@@H](C)CC[C@H]1CC 299967016 572906073 /nfs/dbraw/zinc/90/60/73/572906073.db2.gz UXYUFWUGXUZQEZ-WDEREUQCSA-N 1 1 182.311 1.764 10 30 ADEEMO C=C(CN)C[N@@H+]1[C@@H](C)CC[C@H]1CC 299967016 572906077 /nfs/dbraw/zinc/90/60/77/572906077.db2.gz UXYUFWUGXUZQEZ-WDEREUQCSA-N 1 1 182.311 1.764 10 30 ADEEMO COC(=O)[C@@H](C)[C@H](C)[N@@H+](C)CCC#N 86305962 572909740 /nfs/dbraw/zinc/90/97/40/572909740.db2.gz YZVIKDAKBGEENT-IUCAKERBSA-N 1 1 198.266 1.029 10 30 ADEEMO C=C(C[NH2+]CC)CN(C)C[C@H]1C[C@H]1C 299966525 572906642 /nfs/dbraw/zinc/90/66/42/572906642.db2.gz SAVIIPFZHKJHPL-VXGBXAGGSA-N 1 1 196.338 1.740 10 30 ADEEMO N#CCC[NH2+]C/C=C\c1ccco1 308180638 572906684 /nfs/dbraw/zinc/90/66/84/572906684.db2.gz FYCXXMKUWXUZJF-RJRFIUFISA-N 1 1 176.219 1.796 10 30 ADEEMO C=CCCN(C)C[C@H]([NH3+])[C@H](C)CC 308185282 572910336 /nfs/dbraw/zinc/91/03/36/572910336.db2.gz JGUDTBZZKKTNOB-MNOVXSKESA-N 1 1 184.327 1.868 10 30 ADEEMO N#CCC[NH2+]C/C=C/c1ccco1 308180635 572907247 /nfs/dbraw/zinc/90/72/47/572907247.db2.gz FYCXXMKUWXUZJF-DAFODLJHSA-N 1 1 176.219 1.796 10 30 ADEEMO C[C@@H]1CCC[N@@H+](CC/C(N)=N/O)[C@@H]1C 50565008 572907418 /nfs/dbraw/zinc/90/74/18/572907418.db2.gz MKGLDDDVZTYLBV-RKDXNWHRSA-N 1 1 199.298 1.243 10 30 ADEEMO C[C@@H](/C(N)=N/O)[N@H+]1CCC[C@@H](C)[C@H]1C 50565022 572907467 /nfs/dbraw/zinc/90/74/67/572907467.db2.gz YYTFXGNYGDNORA-HLTSFMKQSA-N 1 1 199.298 1.242 10 30 ADEEMO C[C@@H]1CCC[N@@H+](C[C@](C)(N)C#N)[C@@H]1C 50567066 572907615 /nfs/dbraw/zinc/90/76/15/572907615.db2.gz BZBHFHDLGRTAPS-GMTAPVOTSA-N 1 1 195.310 1.348 10 30 ADEEMO C[N@@H+](CC=NO)C[C@H]1C[C@@H]2C[C@@H]2C1 714589602 572907635 /nfs/dbraw/zinc/90/76/35/572907635.db2.gz BPPZUMUEGYGUHD-ILWJIGKKSA-N 1 1 182.267 1.424 10 30 ADEEMO CC(C)CC[N@@H+](C)CC=NO 714589609 572907698 /nfs/dbraw/zinc/90/76/98/572907698.db2.gz BQRMEJWIMFBOBU-UHFFFAOYSA-N 1 1 158.245 1.424 10 30 ADEEMO C[C@H]1CCC[N@@H+](CC/C(N)=N/O)[C@@H]1C 50565009 572907891 /nfs/dbraw/zinc/90/78/91/572907891.db2.gz MKGLDDDVZTYLBV-DTWKUNHWSA-N 1 1 199.298 1.243 10 30 ADEEMO C=CCN(CC=C)[C@@H](C)[C@H](C)C[NH2+]C 86310993 572910523 /nfs/dbraw/zinc/91/05/23/572910523.db2.gz GRJRHBWXGMDKQU-NEPJUHHUSA-N 1 1 196.338 1.904 10 30 ADEEMO C=CCN1CC[C@H]([NH2+]CC)[C@@H](C)[C@H]1C 86304001 572908985 /nfs/dbraw/zinc/90/89/85/572908985.db2.gz ANVFVWNFVPFJKL-TUAOUCFPSA-N 1 1 196.338 1.881 10 30 ADEEMO COC(=O)[C@H](C)[C@@H](C)[N@H+](C)CCC#N 86305960 572909501 /nfs/dbraw/zinc/90/95/01/572909501.db2.gz YZVIKDAKBGEENT-RKDXNWHRSA-N 1 1 198.266 1.029 10 30 ADEEMO COC(=O)[C@H](C)[C@@H](C)[N@@H+](C)CCC#N 86305960 572909504 /nfs/dbraw/zinc/90/95/04/572909504.db2.gz YZVIKDAKBGEENT-RKDXNWHRSA-N 1 1 198.266 1.029 10 30 ADEEMO COC(=O)[C@@H](C)[C@H](C)[N@H+](C)CCC#N 86305962 572909732 /nfs/dbraw/zinc/90/97/32/572909732.db2.gz YZVIKDAKBGEENT-IUCAKERBSA-N 1 1 198.266 1.029 10 30 ADEEMO C=CCN(CC=C)[C@H](C)[C@@H](C)C[NH2+]C 86310990 572910165 /nfs/dbraw/zinc/91/01/65/572910165.db2.gz GRJRHBWXGMDKQU-NWDGAFQWSA-N 1 1 196.338 1.904 10 30 ADEEMO COC(=O)[C@H](C)[C@H](C)[N@H+](C)CCC#N 86305964 572910415 /nfs/dbraw/zinc/91/04/15/572910415.db2.gz YZVIKDAKBGEENT-BDAKNGLRSA-N 1 1 198.266 1.029 10 30 ADEEMO COC(=O)[C@H](C)[C@H](C)[N@@H+](C)CCC#N 86305964 572910417 /nfs/dbraw/zinc/91/04/17/572910417.db2.gz YZVIKDAKBGEENT-BDAKNGLRSA-N 1 1 198.266 1.029 10 30 ADEEMO CC(C)C[N@@H+](CC[C@H]1CO1)C1CC1 308182387 572910437 /nfs/dbraw/zinc/91/04/37/572910437.db2.gz DGXHYMMVBCZUOC-NSHDSACASA-N 1 1 183.295 1.896 10 30 ADEEMO CC(C)C[N@@H+](CC[C@@H]1CO1)C1CC1 308182383 572910965 /nfs/dbraw/zinc/91/09/65/572910965.db2.gz DGXHYMMVBCZUOC-LLVKDONJSA-N 1 1 183.295 1.896 10 30 ADEEMO CC(C)c1[nH+]ccn1CC[C@@H]1CO1 308182519 572911024 /nfs/dbraw/zinc/91/10/24/572911024.db2.gz DLMMVYJYGLGCHW-SECBINFHSA-N 1 1 180.251 1.795 10 30 ADEEMO COC(=O)[C@@H](C)[C@@H](C)[N@H+](C)CCC#N 86305958 572911317 /nfs/dbraw/zinc/91/13/17/572911317.db2.gz YZVIKDAKBGEENT-DTWKUNHWSA-N 1 1 198.266 1.029 10 30 ADEEMO COC(=O)[C@@H](C)[C@@H](C)[N@@H+](C)CCC#N 86305958 572911320 /nfs/dbraw/zinc/91/13/20/572911320.db2.gz YZVIKDAKBGEENT-DTWKUNHWSA-N 1 1 198.266 1.029 10 30 ADEEMO CC(C)OCC[C@@]1(C#N)CCC[NH2+]1 308185623 572911373 /nfs/dbraw/zinc/91/13/73/572911373.db2.gz FLEWHRNHAKRBRY-SNVBAGLBSA-N 1 1 182.267 1.447 10 30 ADEEMO C=CCN(CC=C)[C@H](C)[C@H](C)C[NH2+]C 86310991 572911458 /nfs/dbraw/zinc/91/14/58/572911458.db2.gz GRJRHBWXGMDKQU-VXGBXAGGSA-N 1 1 196.338 1.904 10 30 ADEEMO C=CCCN(C)C[C@H]([NH3+])[C@@H](C)CC 308185283 572911560 /nfs/dbraw/zinc/91/15/60/572911560.db2.gz JGUDTBZZKKTNOB-QWRGUYRKSA-N 1 1 184.327 1.868 10 30 ADEEMO C=CCCN(C)C[C@@H]([NH3+])[C@H](C)CC 308185281 572911670 /nfs/dbraw/zinc/91/16/70/572911670.db2.gz JGUDTBZZKKTNOB-GHMZBOCLSA-N 1 1 184.327 1.868 10 30 ADEEMO CC(C)OCC[C@]1(C#N)CCC[NH2+]1 308185619 572911819 /nfs/dbraw/zinc/91/18/19/572911819.db2.gz FLEWHRNHAKRBRY-JTQLQIEISA-N 1 1 182.267 1.447 10 30 ADEEMO C=C(C[NH2+]C)C[N@H+]1CCC[C@@H](C)[C@H]1C 299967651 572915466 /nfs/dbraw/zinc/91/54/66/572915466.db2.gz XPPLYHNHYHRLJA-VXGBXAGGSA-N 1 1 196.338 1.882 10 30 ADEEMO C=C(CNC)C[N@@H+]1CCC[C@@H](C)[C@H]1C 299967651 572915467 /nfs/dbraw/zinc/91/54/67/572915467.db2.gz XPPLYHNHYHRLJA-VXGBXAGGSA-N 1 1 196.338 1.882 10 30 ADEEMO C=C(CNC)C[N@H+]1CCC[C@@H](C)[C@H]1C 299967651 572915470 /nfs/dbraw/zinc/91/54/70/572915470.db2.gz XPPLYHNHYHRLJA-VXGBXAGGSA-N 1 1 196.338 1.882 10 30 ADEEMO C=C(CN)C[N@@H+](CC)CC(C)(C)C 308188497 572915543 /nfs/dbraw/zinc/91/55/43/572915543.db2.gz HMVSOXDMPBWETH-UHFFFAOYSA-N 1 1 184.327 1.869 10 30 ADEEMO C=C(CN)C[N@H+](CC)CC(C)(C)C 308188497 572915546 /nfs/dbraw/zinc/91/55/46/572915546.db2.gz HMVSOXDMPBWETH-UHFFFAOYSA-N 1 1 184.327 1.869 10 30 ADEEMO Cc1cccnc1NC=[NH2+] 72231331 572916537 /nfs/dbraw/zinc/91/65/37/572916537.db2.gz CIAYZVOUIAWZMB-UHFFFAOYSA-N 1 1 135.170 1.009 10 30 ADEEMO CC/[NH+]=C\c1ccncc1 72231207 572916671 /nfs/dbraw/zinc/91/66/71/572916671.db2.gz YNKXMCPFILXVFI-CLFYSBASSA-N 1 1 134.182 1.520 10 30 ADEEMO C=CCCCC[N@H+]1CCC[NH2+]CC1 238053265 572918575 /nfs/dbraw/zinc/91/85/75/572918575.db2.gz ORFHVFZVSBEFRI-UHFFFAOYSA-N 1 1 182.311 1.638 10 30 ADEEMO C=CCCCCN1CCC[NH2+]CC1 238053265 572918578 /nfs/dbraw/zinc/91/85/78/572918578.db2.gz ORFHVFZVSBEFRI-UHFFFAOYSA-N 1 1 182.311 1.638 10 30 ADEEMO C=CCCCC[N@@H+]1CCCNCC1 238053265 572918580 /nfs/dbraw/zinc/91/85/80/572918580.db2.gz ORFHVFZVSBEFRI-UHFFFAOYSA-N 1 1 182.311 1.638 10 30 ADEEMO C=CCCCC[N@H+]1CCCNCC1 238053265 572918583 /nfs/dbraw/zinc/91/85/83/572918583.db2.gz ORFHVFZVSBEFRI-UHFFFAOYSA-N 1 1 182.311 1.638 10 30 ADEEMO C=CC[N@H+]1C[C@@H](C=O)[C@@H](C2CC2)C1 238067051 572918942 /nfs/dbraw/zinc/91/89/42/572918942.db2.gz PRQJZMKCJAXFED-WDEREUQCSA-N 1 1 179.263 1.329 10 30 ADEEMO C=CC[N@H+]1C[C@H](C=O)[C@@H](C2CC2)C1 238067089 572919479 /nfs/dbraw/zinc/91/94/79/572919479.db2.gz PRQJZMKCJAXFED-GHMZBOCLSA-N 1 1 179.263 1.329 10 30 ADEEMO C=CCN/C=C/C=C/[NH2+]CC=C 238065747 572919846 /nfs/dbraw/zinc/91/98/46/572919846.db2.gz PNEQXIGJXXQTKR-NXZHAISVSA-N 1 1 164.252 1.565 10 30 ADEEMO C=CCN[C@@H]1CC=C[C@H]1[NH2+]CC=C 238074106 572920737 /nfs/dbraw/zinc/92/07/37/572920737.db2.gz PJRYTIRXKPKVSM-GHMZBOCLSA-N 1 1 178.279 1.235 10 30 ADEEMO CC(C)[N@H+](C)C[C@@H](C)N[C@@H](C)C#N 308192573 572920799 /nfs/dbraw/zinc/92/07/99/572920799.db2.gz KODCYVAPNZPIJV-VHSXEESVSA-N 1 1 183.299 1.217 10 30 ADEEMO N#C[C@@H](C[NH2+]CCCF)C(F)(F)F 308190676 572921145 /nfs/dbraw/zinc/92/11/45/572921145.db2.gz NPFINXJQIGWNJI-LURJTMIESA-N 1 1 198.163 1.638 10 30 ADEEMO C=CCN[C@H]1CC=C[C@@H]1[NH2+]CC=C 238074889 572921169 /nfs/dbraw/zinc/92/11/69/572921169.db2.gz PJRYTIRXKPKVSM-QWRGUYRKSA-N 1 1 178.279 1.235 10 30 ADEEMO N#C[C@H](C[NH2+]CCCF)C(F)(F)F 308190677 572921480 /nfs/dbraw/zinc/92/14/80/572921480.db2.gz NPFINXJQIGWNJI-ZCFIWIBFSA-N 1 1 198.163 1.638 10 30 ADEEMO C=CCN[C@@H]1CC=C[C@@H]1[NH2+]CC=C 238074079 572922121 /nfs/dbraw/zinc/92/21/21/572922121.db2.gz PJRYTIRXKPKVSM-WDEREUQCSA-N 1 1 178.279 1.235 10 30 ADEEMO C=CCN[C@H]1CC=C[C@H]1[NH2+]CC=C 238074922 572922242 /nfs/dbraw/zinc/92/22/42/572922242.db2.gz PJRYTIRXKPKVSM-MNOVXSKESA-N 1 1 178.279 1.235 10 30 ADEEMO CC(C)[N@H+](C)C[C@H](C)N[C@@H](C)C#N 308192572 572922492 /nfs/dbraw/zinc/92/24/92/572922492.db2.gz KODCYVAPNZPIJV-UWVGGRQHSA-N 1 1 183.299 1.217 10 30 ADEEMO O=CCC[N@@H+]1CC[C@@H](C(F)(F)F)C1 308194389 572923322 /nfs/dbraw/zinc/92/33/22/572923322.db2.gz PUBCLMYONMSMHL-SSDOTTSWSA-N 1 1 195.184 1.460 10 30 ADEEMO C=C(C)CC[C@@H](O)Cc1[nH+]ccn1C 238084000 572924355 /nfs/dbraw/zinc/92/43/55/572924355.db2.gz OITCQMDXMJSNGU-SNVBAGLBSA-N 1 1 194.278 1.680 10 30 ADEEMO N#CCCn1c[nH+]c2cc(N)ccc21 75935154 572924775 /nfs/dbraw/zinc/92/47/75/572924775.db2.gz KUSWMYHPQYLGIE-UHFFFAOYSA-N 1 1 186.218 1.532 10 30 ADEEMO Fc1ccc(C[NH+]2CC(S)C2)cc1 141116483 572924844 /nfs/dbraw/zinc/92/48/44/572924844.db2.gz UOZKBYMKVXLQCZ-UHFFFAOYSA-N 1 1 197.278 1.940 10 30 ADEEMO O=CCC[N@@H+]1CC[C@H](C(F)(F)F)C1 308194390 572924898 /nfs/dbraw/zinc/92/48/98/572924898.db2.gz PUBCLMYONMSMHL-ZETCQYMHSA-N 1 1 195.184 1.460 10 30 ADEEMO C#CC(C)(C)[N@H+](CCO)C(C)(C)C 238088377 572926570 /nfs/dbraw/zinc/92/65/70/572926570.db2.gz BOCOHKIDLAGEEO-UHFFFAOYSA-N 1 1 183.295 1.491 10 30 ADEEMO C=CCCN(C)C[C@@](C)([NH3+])C1CC1 308207310 572927194 /nfs/dbraw/zinc/92/71/94/572927194.db2.gz ZXBCESVSAWXYIW-LLVKDONJSA-N 1 1 182.311 1.622 10 30 ADEEMO C=C(C)CC[C@H](O)Cc1[nH+]ccn1C 238085620 572928061 /nfs/dbraw/zinc/92/80/61/572928061.db2.gz OITCQMDXMJSNGU-JTQLQIEISA-N 1 1 194.278 1.680 10 30 ADEEMO C=CCc1noc([C@@H]([NH3+])CC)n1 308201475 572928139 /nfs/dbraw/zinc/92/81/39/572928139.db2.gz YOVOSIPMBZMBNM-LURJTMIESA-N 1 1 167.212 1.208 10 30 ADEEMO C[C@@H](CCCC[NH3+])[N@@H+](C)CCC#N 308201131 572928657 /nfs/dbraw/zinc/92/86/57/572928657.db2.gz PWDFKQRUPAAQSV-JTQLQIEISA-N 1 1 183.299 1.349 10 30 ADEEMO C[C@@H](CCCC[NH3+])N(C)CCC#N 308201131 572928659 /nfs/dbraw/zinc/92/86/59/572928659.db2.gz PWDFKQRUPAAQSV-JTQLQIEISA-N 1 1 183.299 1.349 10 30 ADEEMO C=CC[N@@H+]1CC=C(CC(C)=O)CC1 238089248 572928837 /nfs/dbraw/zinc/92/88/37/572928837.db2.gz PTKMOGKNHLZAFG-UHFFFAOYSA-N 1 1 179.263 1.784 10 30 ADEEMO C[C@H](CCCC[NH3+])[N@@H+](C)CCC#N 308201132 572928969 /nfs/dbraw/zinc/92/89/69/572928969.db2.gz PWDFKQRUPAAQSV-SNVBAGLBSA-N 1 1 183.299 1.349 10 30 ADEEMO C[C@H](CCCC[NH3+])N(C)CCC#N 308201132 572928972 /nfs/dbraw/zinc/92/89/72/572928972.db2.gz PWDFKQRUPAAQSV-SNVBAGLBSA-N 1 1 183.299 1.349 10 30 ADEEMO C[N@@H+](CC[C@H]1CO1)CC1CCCC1 308203714 572932162 /nfs/dbraw/zinc/93/21/62/572932162.db2.gz RNZXAULCEMNMPZ-NSHDSACASA-N 1 1 183.295 1.897 10 30 ADEEMO C=C(C)C[C@H]([NH3+])[C@H](N)CC(=C)C 238101529 572932761 /nfs/dbraw/zinc/93/27/61/572932761.db2.gz QIKKDALPRDHATR-AOOOYVTPSA-N 1 1 168.284 1.573 10 30 ADEEMO C=C(C)C[C@H](N)[C@H]([NH3+])CC(=C)C 238101529 572932762 /nfs/dbraw/zinc/93/27/62/572932762.db2.gz QIKKDALPRDHATR-AOOOYVTPSA-N 1 1 168.284 1.573 10 30 ADEEMO O=C[C@H]1CCC[N@H+](CCCF)C1 88026862 572932804 /nfs/dbraw/zinc/93/28/04/572932804.db2.gz NYOWBDDILKXURJ-VIFPVBQESA-N 1 1 173.231 1.257 10 30 ADEEMO O=C[C@@H]1CCCC[N@@H+]1CCCF 88026864 572933249 /nfs/dbraw/zinc/93/32/49/572933249.db2.gz CGBIMSGROBTHCU-VIFPVBQESA-N 1 1 173.231 1.399 10 30 ADEEMO C=C(C)C[C@H](N)[C@@H]([NH3+])CC(=C)C 238101495 572933314 /nfs/dbraw/zinc/93/33/14/572933314.db2.gz QIKKDALPRDHATR-UWVGGRQHSA-N 1 1 168.284 1.573 10 30 ADEEMO O=C[C@H]1CCCC[N@@H+]1CCCF 88026865 572933493 /nfs/dbraw/zinc/93/34/93/572933493.db2.gz CGBIMSGROBTHCU-SECBINFHSA-N 1 1 173.231 1.399 10 30 ADEEMO CC[N@@H+](CC[C@@H]1CO1)[C@H](C)COC 308206926 572935230 /nfs/dbraw/zinc/93/52/30/572935230.db2.gz UFMFZUXARRRULM-NXEZZACHSA-N 1 1 187.283 1.132 10 30 ADEEMO CC[N@@H+](CC[C@@H]1CO1)[C@@H](C)COC 308206928 572935970 /nfs/dbraw/zinc/93/59/70/572935970.db2.gz UFMFZUXARRRULM-VHSXEESVSA-N 1 1 187.283 1.132 10 30 ADEEMO C=CCCCC[N@@H+]1CCN[C@H](C)C1 308206631 572935993 /nfs/dbraw/zinc/93/59/93/572935993.db2.gz IKLSECORBXZSDG-LLVKDONJSA-N 1 1 182.311 1.636 10 30 ADEEMO C=CCCCC[N@H+]1CCN[C@H](C)C1 308206631 572935994 /nfs/dbraw/zinc/93/59/94/572935994.db2.gz IKLSECORBXZSDG-LLVKDONJSA-N 1 1 182.311 1.636 10 30 ADEEMO C=CCCCC[N@@H+]1CCN[C@@H](C)C1 308206633 572936237 /nfs/dbraw/zinc/93/62/37/572936237.db2.gz IKLSECORBXZSDG-NSHDSACASA-N 1 1 182.311 1.636 10 30 ADEEMO C=CCCCC[N@H+]1CCN[C@@H](C)C1 308206633 572936241 /nfs/dbraw/zinc/93/62/41/572936241.db2.gz IKLSECORBXZSDG-NSHDSACASA-N 1 1 182.311 1.636 10 30 ADEEMO CC[C@H](C)C[N@@H+](CC)C[C@](C)(N)C#N 86438628 572938726 /nfs/dbraw/zinc/93/87/26/572938726.db2.gz BRROKCFCIUFBFR-WDEREUQCSA-N 1 1 197.326 1.595 10 30 ADEEMO C[N@@H+](CCc1cccs1)C[C@H]1CO1 86440857 572938831 /nfs/dbraw/zinc/93/88/31/572938831.db2.gz QYYZULCLLSPQJX-VIFPVBQESA-N 1 1 197.303 1.621 10 30 ADEEMO CC[C@@H](C)C[N@@H+](CC)C[C@](C)(N)C#N 86438626 572938840 /nfs/dbraw/zinc/93/88/40/572938840.db2.gz BRROKCFCIUFBFR-GHMZBOCLSA-N 1 1 197.326 1.595 10 30 ADEEMO C[N@@H+](CC=O)CCc1cccs1 86441240 572938860 /nfs/dbraw/zinc/93/88/60/572938860.db2.gz CMZVEDKUPCJHMS-UHFFFAOYSA-N 1 1 183.276 1.421 10 30 ADEEMO C=CCCN(C)c1nc(N)cc[nH+]1 308195298 572938862 /nfs/dbraw/zinc/93/88/62/572938862.db2.gz QRBWQROGTSMINR-UHFFFAOYSA-N 1 1 178.239 1.071 10 30 ADEEMO C[N@H+](CC=O)CCc1cccs1 86441240 572938863 /nfs/dbraw/zinc/93/88/63/572938863.db2.gz CMZVEDKUPCJHMS-UHFFFAOYSA-N 1 1 183.276 1.421 10 30 ADEEMO CC[C@H](C)C[N@H+](CC)C[C@H](N)C#N 86438604 572938910 /nfs/dbraw/zinc/93/89/10/572938910.db2.gz MHJCISMQAYPYFN-VHSXEESVSA-N 1 1 183.299 1.205 10 30 ADEEMO CC[C@H](C)C[N@@H+](CC)C[C@H](N)C#N 86438604 572938912 /nfs/dbraw/zinc/93/89/12/572938912.db2.gz MHJCISMQAYPYFN-VHSXEESVSA-N 1 1 183.299 1.205 10 30 ADEEMO CC[C@@H](C)C[N@@H+](CC)CCC=O 86438068 572938927 /nfs/dbraw/zinc/93/89/27/572938927.db2.gz URRPVWATMLKQNF-SNVBAGLBSA-N 1 1 171.284 1.943 10 30 ADEEMO C[N@@H+](CCc1cccs1)C[C@@H]1CO1 86440855 572938952 /nfs/dbraw/zinc/93/89/52/572938952.db2.gz QYYZULCLLSPQJX-SECBINFHSA-N 1 1 197.303 1.621 10 30 ADEEMO CC[C@@H](C)C[N@H+](CC)C[C@H](N)C#N 86438602 572939034 /nfs/dbraw/zinc/93/90/34/572939034.db2.gz MHJCISMQAYPYFN-NXEZZACHSA-N 1 1 183.299 1.205 10 30 ADEEMO CC[C@@H](C)C[N@@H+](CC)C[C@H](N)C#N 86438602 572939037 /nfs/dbraw/zinc/93/90/37/572939037.db2.gz MHJCISMQAYPYFN-NXEZZACHSA-N 1 1 183.299 1.205 10 30 ADEEMO CC[C@@H](C)C[N@@H+](CC)CC[C@H](N)C#N 86438609 572939121 /nfs/dbraw/zinc/93/91/21/572939121.db2.gz WJMBJTAIKUODQU-MNOVXSKESA-N 1 1 197.326 1.595 10 30 ADEEMO C#CCNCC[N@H+](CC)C[C@H](C)CC 86439118 572939217 /nfs/dbraw/zinc/93/92/17/572939217.db2.gz LEMKJBMXLLNOKV-GFCCVEGCSA-N 1 1 196.338 1.577 10 30 ADEEMO C#CC[NH2+]CCN(CC)C[C@H](C)CC 86439118 572939219 /nfs/dbraw/zinc/93/92/19/572939219.db2.gz LEMKJBMXLLNOKV-GFCCVEGCSA-N 1 1 196.338 1.577 10 30 ADEEMO C=C/C=C/CC[N@@H+](C)CCC#N 713641798 572939223 /nfs/dbraw/zinc/93/92/23/572939223.db2.gz BMKSIEAMMBOJBH-SNAWJCMRSA-N 1 1 164.252 1.964 10 30 ADEEMO C=C/C=C/CC[N@H+](C)CCC#N 713641798 572939225 /nfs/dbraw/zinc/93/92/25/572939225.db2.gz BMKSIEAMMBOJBH-SNAWJCMRSA-N 1 1 164.252 1.964 10 30 ADEEMO CC[C@H](C)C[N@@H+](CC)C[C@@H]1CO1 86437630 572939229 /nfs/dbraw/zinc/93/92/29/572939229.db2.gz LNNXHNVSDIIYJT-VHSXEESVSA-N 1 1 171.284 1.753 10 30 ADEEMO CC[C@H](C)C[N@@H+](CC)CC=O 86438017 572939289 /nfs/dbraw/zinc/93/92/89/572939289.db2.gz CLOWDOCUUXUTRS-VIFPVBQESA-N 1 1 157.257 1.553 10 30 ADEEMO CC[C@H](C)C[N@@H+](CC)CCC=O 86438070 572939324 /nfs/dbraw/zinc/93/93/24/572939324.db2.gz URRPVWATMLKQNF-JTQLQIEISA-N 1 1 171.284 1.943 10 30 ADEEMO C[N@@H+](CCC=O)CCc1cccs1 86441228 572939354 /nfs/dbraw/zinc/93/93/54/572939354.db2.gz IMGYPCDTZISEHU-UHFFFAOYSA-N 1 1 197.303 1.811 10 30 ADEEMO C[C@H](Cc1cccs1)[N@H+](C)CC=O 86441190 572939380 /nfs/dbraw/zinc/93/93/80/572939380.db2.gz INPIPPNPNRUKLV-SECBINFHSA-N 1 1 197.303 1.810 10 30 ADEEMO C[C@H](Cc1cccs1)[N@@H+](C)CC=O 86441190 572939382 /nfs/dbraw/zinc/93/93/82/572939382.db2.gz INPIPPNPNRUKLV-SECBINFHSA-N 1 1 197.303 1.810 10 30 ADEEMO CC[C@@H](C)C[N@@H+](CC)CC=O 86438015 572939385 /nfs/dbraw/zinc/93/93/85/572939385.db2.gz CLOWDOCUUXUTRS-SECBINFHSA-N 1 1 157.257 1.553 10 30 ADEEMO C#CCNCC[N@H+](CC)C[C@@H](C)CC 86439120 572939411 /nfs/dbraw/zinc/93/94/11/572939411.db2.gz LEMKJBMXLLNOKV-LBPRGKRZSA-N 1 1 196.338 1.577 10 30 ADEEMO C#CC[NH2+]CCN(CC)C[C@@H](C)CC 86439120 572939413 /nfs/dbraw/zinc/93/94/13/572939413.db2.gz LEMKJBMXLLNOKV-LBPRGKRZSA-N 1 1 196.338 1.577 10 30 ADEEMO CC[C@@H](C)C[N@@H+](CC)C[C@@H]1CO1 86437628 572939472 /nfs/dbraw/zinc/93/94/72/572939472.db2.gz LNNXHNVSDIIYJT-NXEZZACHSA-N 1 1 171.284 1.753 10 30 ADEEMO C=CC[C@@H]([NH3+])c1nnc(C(C)(C)C)o1 238133634 572939580 /nfs/dbraw/zinc/93/95/80/572939580.db2.gz RVCAGGFJGYHDRL-SSDOTTSWSA-N 1 1 195.266 1.943 10 30 ADEEMO CC[C@H](C)C[N@@H+](CC)CC[C@H](N)C#N 86438611 572939602 /nfs/dbraw/zinc/93/96/02/572939602.db2.gz WJMBJTAIKUODQU-QWRGUYRKSA-N 1 1 197.326 1.595 10 30 ADEEMO C=C/C=C\CC[N@@H+](C)CCC#N 713641797 572939712 /nfs/dbraw/zinc/93/97/12/572939712.db2.gz BMKSIEAMMBOJBH-PLNGDYQASA-N 1 1 164.252 1.964 10 30 ADEEMO C=C/C=C\CC[N@H+](C)CCC#N 713641797 572939713 /nfs/dbraw/zinc/93/97/13/572939713.db2.gz BMKSIEAMMBOJBH-PLNGDYQASA-N 1 1 164.252 1.964 10 30 ADEEMO C[C@@H](Cc1cccs1)[N@H+](C)CC=O 86441188 572939723 /nfs/dbraw/zinc/93/97/23/572939723.db2.gz INPIPPNPNRUKLV-VIFPVBQESA-N 1 1 197.303 1.810 10 30 ADEEMO C[C@@H](Cc1cccs1)[N@@H+](C)CC=O 86441188 572939725 /nfs/dbraw/zinc/93/97/25/572939725.db2.gz INPIPPNPNRUKLV-VIFPVBQESA-N 1 1 197.303 1.810 10 30 ADEEMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)NCC 308209646 572940940 /nfs/dbraw/zinc/94/09/40/572940940.db2.gz FSSMHJSVDNMUKD-VIFPVBQESA-N 1 1 184.283 1.019 10 30 ADEEMO C=CC[N@@H+](CC)Cc1n[nH]cc1C 308209969 572940972 /nfs/dbraw/zinc/94/09/72/572940972.db2.gz FYSYVGMDLYRWQY-UHFFFAOYSA-N 1 1 179.267 1.726 10 30 ADEEMO C=CC[N@H+](CC)Cc1n[nH]cc1C 308209969 572940973 /nfs/dbraw/zinc/94/09/73/572940973.db2.gz FYSYVGMDLYRWQY-UHFFFAOYSA-N 1 1 179.267 1.726 10 30 ADEEMO CC(C)[C@@H]1CCC[N@H+]1CC[C@@H]1CO1 308210208 572941240 /nfs/dbraw/zinc/94/12/40/572941240.db2.gz VZSGUBRMOHJKTR-MNOVXSKESA-N 1 1 183.295 1.896 10 30 ADEEMO CC[C@H](CC#N)[N@@H+](C)C[C@H](C)OC 308209818 572941591 /nfs/dbraw/zinc/94/15/91/572941591.db2.gz KLSFGFVNIUCFNP-VHSXEESVSA-N 1 1 184.283 1.645 10 30 ADEEMO CC(C)[C@H]1CCC[N@H+]1CC[C@H]1CO1 308210215 572941902 /nfs/dbraw/zinc/94/19/02/572941902.db2.gz VZSGUBRMOHJKTR-WDEREUQCSA-N 1 1 183.295 1.896 10 30 ADEEMO C=C(C)CNC(=O)CC[N@H+](C)CC 308209224 572941989 /nfs/dbraw/zinc/94/19/89/572941989.db2.gz FKSJOFOMHWANPQ-UHFFFAOYSA-N 1 1 184.283 1.021 10 30 ADEEMO C[C@H](CO)/[NH+]=C\Cc1ccccc1 308210260 572942486 /nfs/dbraw/zinc/94/24/86/572942486.db2.gz WBKMQKCURZYIRN-BKLZJWBFSA-N 1 1 177.247 1.681 10 30 ADEEMO CC[C@H](CC#N)[N@@H+](C)C[C@@H](C)OC 308209816 572942570 /nfs/dbraw/zinc/94/25/70/572942570.db2.gz KLSFGFVNIUCFNP-NXEZZACHSA-N 1 1 184.283 1.645 10 30 ADEEMO CC[C@@H](CC#N)[N@@H+](C)C[C@H](C)OC 308209817 572942788 /nfs/dbraw/zinc/94/27/88/572942788.db2.gz KLSFGFVNIUCFNP-UWVGGRQHSA-N 1 1 184.283 1.645 10 30 ADEEMO C[C@H](CO)/[NH+]=C/Cc1ccccc1 308210261 572943023 /nfs/dbraw/zinc/94/30/23/572943023.db2.gz WBKMQKCURZYIRN-ZDIKFAODSA-N 1 1 177.247 1.681 10 30 ADEEMO CC[C@@H](CC#N)[N@@H+](C)C[C@@H](C)OC 308209819 572943032 /nfs/dbraw/zinc/94/30/32/572943032.db2.gz KLSFGFVNIUCFNP-ZJUUUORDSA-N 1 1 184.283 1.645 10 30 ADEEMO C[N@H+](CC=NO)CCCCCF 714614428 572943943 /nfs/dbraw/zinc/94/39/43/572943943.db2.gz BURWBRGRPPCGMI-UHFFFAOYSA-N 1 1 176.235 1.518 10 30 ADEEMO CC(C)C[C@@H]([NH3+])c1nnc(CC#N)o1 238141263 572945006 /nfs/dbraw/zinc/94/50/06/572945006.db2.gz VWAKIZITHXSKCF-SSDOTTSWSA-N 1 1 194.238 1.182 10 30 ADEEMO C#CCC[N@@H+]1CCCC[C@H]1CC(C)=O 86499177 572945977 /nfs/dbraw/zinc/94/59/77/572945977.db2.gz MAWMNLGLNDWFKV-LBPRGKRZSA-N 1 1 193.290 1.843 10 30 ADEEMO C#CCN[C@@H](C)C[C@@H]1CCCC[NH2+]1 86498585 572946050 /nfs/dbraw/zinc/94/60/50/572946050.db2.gz BHWGIISFAYXCND-QWRGUYRKSA-N 1 1 180.295 1.130 10 30 ADEEMO C#CCN[C@@H](C)C[C@H]1CCCC[NH2+]1 86498588 572946162 /nfs/dbraw/zinc/94/61/62/572946162.db2.gz BHWGIISFAYXCND-WDEREUQCSA-N 1 1 180.295 1.130 10 30 ADEEMO C#CCC[N@@H+]1CCC[C@H]1CC(C)=O 86497955 572946604 /nfs/dbraw/zinc/94/66/04/572946604.db2.gz HDFDXDJXPDKLIG-NSHDSACASA-N 1 1 179.263 1.453 10 30 ADEEMO C#CCN[C@H](C)C[C@@H]1CCCC[NH2+]1 86498586 572946625 /nfs/dbraw/zinc/94/66/25/572946625.db2.gz BHWGIISFAYXCND-MNOVXSKESA-N 1 1 180.295 1.130 10 30 ADEEMO C#CCCC[N@H+](CC)[C@@H]1CCOC1 308208042 572946877 /nfs/dbraw/zinc/94/68/77/572946877.db2.gz UYEQXMDXRLOYIP-LLVKDONJSA-N 1 1 181.279 1.511 10 30 ADEEMO CC1CCC([N@@H+](C)CC=NO)CC1 714614836 572947110 /nfs/dbraw/zinc/94/71/10/572947110.db2.gz DYXRXIMDOWYEIR-UHFFFAOYSA-N 1 1 184.283 1.957 10 30 ADEEMO C[C@H]1C[N@H+](C)CCCN1[C@H](C)CC#N 235425555 572947176 /nfs/dbraw/zinc/94/71/76/572947176.db2.gz WTHWMVJQJBLZTM-MNOVXSKESA-N 1 1 195.310 1.315 10 30 ADEEMO CC(C)(C#N)CC[NH2+]Cc1ccon1 88053790 572947663 /nfs/dbraw/zinc/94/76/63/572947663.db2.gz UOYGVCKCXMZVHO-UHFFFAOYSA-N 1 1 193.250 1.704 10 30 ADEEMO C=CC[N@@H+](CC1CC1)[C@@H]1C[C@@H]1CO 308160084 572947747 /nfs/dbraw/zinc/94/77/47/572947747.db2.gz DLANEQSCFRDNBY-GHMZBOCLSA-N 1 1 181.279 1.265 10 30 ADEEMO C=CC[C@H](C)[C@H](C)[N@@H+](CC)CCO 308215271 572948124 /nfs/dbraw/zinc/94/81/24/572948124.db2.gz IYZQPMJKHZZULE-QWRGUYRKSA-N 1 1 185.311 1.901 10 30 ADEEMO C[N@H+](CC=NO)Cc1cccs1 714615762 572948373 /nfs/dbraw/zinc/94/83/73/572948373.db2.gz HWIGDVKAXGZQTA-UHFFFAOYSA-N 1 1 184.264 1.640 10 30 ADEEMO C[N@@H+](CC=NO)Cc1cccs1 714615762 572948385 /nfs/dbraw/zinc/94/83/85/572948385.db2.gz HWIGDVKAXGZQTA-UHFFFAOYSA-N 1 1 184.264 1.640 10 30 ADEEMO C[N@H+](CC=O)C[C@@H]1CCCC1(F)F 714615766 572948778 /nfs/dbraw/zinc/94/87/78/572948778.db2.gz ICOHTIOXGFKSIT-QMMMGPOBSA-N 1 1 191.221 1.553 10 30 ADEEMO C[N@@H+](CC=O)C[C@@H]1CCCC1(F)F 714615766 572948782 /nfs/dbraw/zinc/94/87/82/572948782.db2.gz ICOHTIOXGFKSIT-QMMMGPOBSA-N 1 1 191.221 1.553 10 30 ADEEMO C=C[C@@H](C)[N@@H+](CC)C[C@H]1CCOC1 308214759 572948983 /nfs/dbraw/zinc/94/89/83/572948983.db2.gz IKMHYJODUYMIJZ-GHMZBOCLSA-N 1 1 183.295 1.919 10 30 ADEEMO C[N@H+](CC=O)C[C@H]1CCCC1(F)F 714615765 572949896 /nfs/dbraw/zinc/94/98/96/572949896.db2.gz ICOHTIOXGFKSIT-MRVPVSSYSA-N 1 1 191.221 1.553 10 30 ADEEMO C[N@@H+](CC=O)C[C@H]1CCCC1(F)F 714615765 572949898 /nfs/dbraw/zinc/94/98/98/572949898.db2.gz ICOHTIOXGFKSIT-MRVPVSSYSA-N 1 1 191.221 1.553 10 30 ADEEMO C=C[C@H](C)[N@@H+](CC)C[C@@H]1CCOC1 308214761 572949324 /nfs/dbraw/zinc/94/93/24/572949324.db2.gz IKMHYJODUYMIJZ-QWRGUYRKSA-N 1 1 183.295 1.919 10 30 ADEEMO C=CC[C@H](C)[C@@H](C)[N@@H+](CC)CCO 308215272 572949327 /nfs/dbraw/zinc/94/93/27/572949327.db2.gz IYZQPMJKHZZULE-WDEREUQCSA-N 1 1 185.311 1.901 10 30 ADEEMO C#CC[N@H+](CC=C)C[C@@H](C)CC[NH3+] 308213710 572949460 /nfs/dbraw/zinc/94/94/60/572949460.db2.gz XYUQPZAAXQZQQY-NSHDSACASA-N 1 1 180.295 1.093 10 30 ADEEMO C=C[C@H](C)[N@@H+](CC)C[C@H]1CCOC1 308214762 572949498 /nfs/dbraw/zinc/94/94/98/572949498.db2.gz IKMHYJODUYMIJZ-WDEREUQCSA-N 1 1 183.295 1.919 10 30 ADEEMO C=CC[C@@H](C)[C@H](C)[N@@H+](CC)CCO 308215270 572949518 /nfs/dbraw/zinc/94/95/18/572949518.db2.gz IYZQPMJKHZZULE-MNOVXSKESA-N 1 1 185.311 1.901 10 30 ADEEMO CCOCC[C@@H]1CCC[C@@]1([NH3+])C#N 86534646 572949862 /nfs/dbraw/zinc/94/98/62/572949862.db2.gz CBVPWNBDKVBBBN-VHSXEESVSA-N 1 1 182.267 1.434 10 30 ADEEMO CC(C)OCC[C@H]1CCC[C@@]1([NH3+])C#N 86534104 572950608 /nfs/dbraw/zinc/95/06/08/572950608.db2.gz QKPFQGKYENODTK-GHMZBOCLSA-N 1 1 196.294 1.823 10 30 ADEEMO CC1CCC([N@@H+](C)C/C(N)=N/O)CC1 58443779 572950878 /nfs/dbraw/zinc/95/08/78/572950878.db2.gz YKEYIRMBYVWVIH-UHFFFAOYSA-N 1 1 199.298 1.243 10 30 ADEEMO CCCOCC[C@@H]1CCC[C@]1([NH3+])C#N 86535276 572950921 /nfs/dbraw/zinc/95/09/21/572950921.db2.gz QFMRHCVKBPISHY-QWRGUYRKSA-N 1 1 196.294 1.824 10 30 ADEEMO CC(C)OCC[C@@H]1CCC[C@]1([NH3+])C#N 86534099 572950958 /nfs/dbraw/zinc/95/09/58/572950958.db2.gz QKPFQGKYENODTK-QWRGUYRKSA-N 1 1 196.294 1.823 10 30 ADEEMO CCOCC[C@@H]1CCC[C@]1([NH3+])C#N 86534642 572951062 /nfs/dbraw/zinc/95/10/62/572951062.db2.gz CBVPWNBDKVBBBN-UWVGGRQHSA-N 1 1 182.267 1.434 10 30 ADEEMO CCOCC[C@H]1CCC[C@@]1([NH3+])C#N 86534647 572950992 /nfs/dbraw/zinc/95/09/92/572950992.db2.gz CBVPWNBDKVBBBN-NXEZZACHSA-N 1 1 182.267 1.434 10 30 ADEEMO CCOCC[C@H]1CCC[C@]1([NH3+])C#N 86534644 572951094 /nfs/dbraw/zinc/95/10/94/572951094.db2.gz CBVPWNBDKVBBBN-ZJUUUORDSA-N 1 1 182.267 1.434 10 30 ADEEMO CC[N@@H+](C)CC[C@H]1CCC[C@]1(N)C#N 86532069 572951163 /nfs/dbraw/zinc/95/11/63/572951163.db2.gz VCCMNWJXRIVFLI-MNOVXSKESA-N 1 1 195.310 1.349 10 30 ADEEMO CCCOCC[C@@H]1CCC[C@@]1([NH3+])C#N 86535280 572951784 /nfs/dbraw/zinc/95/17/84/572951784.db2.gz QFMRHCVKBPISHY-WDEREUQCSA-N 1 1 196.294 1.824 10 30 ADEEMO CCCOCC[C@H]1CCC[C@]1([NH3+])C#N 86535278 572952219 /nfs/dbraw/zinc/95/22/19/572952219.db2.gz QFMRHCVKBPISHY-MNOVXSKESA-N 1 1 196.294 1.824 10 30 ADEEMO CCCOCC[C@H]1CCC[C@@]1([NH3+])C#N 86535281 572952398 /nfs/dbraw/zinc/95/23/98/572952398.db2.gz QFMRHCVKBPISHY-GHMZBOCLSA-N 1 1 196.294 1.824 10 30 ADEEMO C[C@@H]1CC[N@@H+](CC(C)(C)C=O)C1 51177634 572953543 /nfs/dbraw/zinc/95/35/43/572953543.db2.gz CCHVMNBAAGECPT-SECBINFHSA-N 1 1 169.268 1.553 10 30 ADEEMO CCCC[N@@H+](C)CC(C)(C)C=O 51175645 572953171 /nfs/dbraw/zinc/95/31/71/572953171.db2.gz TZSLSRAIELGHSN-UHFFFAOYSA-N 1 1 171.284 1.943 10 30 ADEEMO C[C@H]1C[N@@H+](CC(C)(C)C=O)C[C@@H](C)O1 51175401 572953361 /nfs/dbraw/zinc/95/33/61/572953361.db2.gz FZZHTPQLOPTMIR-AOOOYVTPSA-N 1 1 199.294 1.321 10 30 ADEEMO C[N@@H+](C[C@@H]1CCCO1)CC(C)(C)C=O 51178557 572953889 /nfs/dbraw/zinc/95/38/89/572953889.db2.gz QDRCQUBUCWLNOC-JTQLQIEISA-N 1 1 199.294 1.322 10 30 ADEEMO CC(C)[N@@H+](C)CC(C)(C)C=O 51175532 572954147 /nfs/dbraw/zinc/95/41/47/572954147.db2.gz UEXVUOAIFVHLJD-UHFFFAOYSA-N 1 1 157.257 1.552 10 30 ADEEMO C[C@@H]1C[N@@H+](CC(C)(C)C=O)[C@H](C)CO1 51176888 572954284 /nfs/dbraw/zinc/95/42/84/572954284.db2.gz BJXDTYOCLUFZPO-NXEZZACHSA-N 1 1 199.294 1.321 10 30 ADEEMO C[N@@H+](CC(C)(C)C=O)C1CC1 51176461 572954643 /nfs/dbraw/zinc/95/46/43/572954643.db2.gz CCVLCHPONSXXER-UHFFFAOYSA-N 1 1 155.241 1.306 10 30 ADEEMO C[C@H]1C[N@@H+](CC(C)(C)C=O)[C@H](C)CO1 51176889 572954701 /nfs/dbraw/zinc/95/47/01/572954701.db2.gz BJXDTYOCLUFZPO-ZJUUUORDSA-N 1 1 199.294 1.321 10 30 ADEEMO C[C@H]1CCC[C@@H]([N@@H+](C)C/C(N)=N/O)C1 58707467 572958332 /nfs/dbraw/zinc/95/83/32/572958332.db2.gz OLWQNBDZHSUFBD-DTWKUNHWSA-N 1 1 199.298 1.243 10 30 ADEEMO C[C@@H]1CCC[C@H]([N@@H+](C)C/C(N)=N\O)C1 58707461 572958464 /nfs/dbraw/zinc/95/84/64/572958464.db2.gz OLWQNBDZHSUFBD-BDAKNGLRSA-N 1 1 199.298 1.243 10 30 ADEEMO C[C@H]1CCC[C@H]([N@@H+](C)C/C(N)=N\O)C1 58707463 572958660 /nfs/dbraw/zinc/95/86/60/572958660.db2.gz OLWQNBDZHSUFBD-IUCAKERBSA-N 1 1 199.298 1.243 10 30 ADEEMO C[C@@H]1CCC[C@@H]([N@@H+](C)C/C(N)=N/O)C1 58707465 572958680 /nfs/dbraw/zinc/95/86/80/572958680.db2.gz OLWQNBDZHSUFBD-RKDXNWHRSA-N 1 1 199.298 1.243 10 30 ADEEMO C=C(C)C[N@@H+](CC)CC(C)(C)CN 86595769 572960127 /nfs/dbraw/zinc/96/01/27/572960127.db2.gz RWQZHABBKOIJOF-UHFFFAOYSA-N 1 1 184.327 1.869 10 30 ADEEMO C=C(C)C[N@H+](CC)CC(C)(C)CN 86595769 572960129 /nfs/dbraw/zinc/96/01/29/572960129.db2.gz RWQZHABBKOIJOF-UHFFFAOYSA-N 1 1 184.327 1.869 10 30 ADEEMO C=C(C)CN(CC)CC(C)(C)C[NH3+] 86595769 572960134 /nfs/dbraw/zinc/96/01/34/572960134.db2.gz RWQZHABBKOIJOF-UHFFFAOYSA-N 1 1 184.327 1.869 10 30 ADEEMO COC(=O)C(C)(C)C[N@H+](C)CCC#N 86594590 572960215 /nfs/dbraw/zinc/96/02/15/572960215.db2.gz SZSFTCVVHRCXLO-UHFFFAOYSA-N 1 1 198.266 1.031 10 30 ADEEMO COC(=O)C(C)(C)C[N@@H+](C)CCC#N 86594590 572960217 /nfs/dbraw/zinc/96/02/17/572960217.db2.gz SZSFTCVVHRCXLO-UHFFFAOYSA-N 1 1 198.266 1.031 10 30 ADEEMO C=CC[N@H+](CCO)C[C@H]1CC[C@H](C)O1 299998671 572960334 /nfs/dbraw/zinc/96/03/34/572960334.db2.gz ZPVXXLKLIBCBJC-WDEREUQCSA-N 1 1 199.294 1.034 10 30 ADEEMO CC(C)/N=C/CC[NH2+]C(C)C 238165020 572960682 /nfs/dbraw/zinc/96/06/82/572960682.db2.gz SGBRAQQETNOTSR-UXBLZVDNSA-N 1 1 156.273 1.854 10 30 ADEEMO C[C@@H]1CCCC[C@H]1[N@@H+](C)C/C(N)=N/O 59000587 572964099 /nfs/dbraw/zinc/96/40/99/572964099.db2.gz KXXJQKIRGPKYIL-RKDXNWHRSA-N 1 1 199.298 1.243 10 30 ADEEMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)C/C(N)=N/O 59000582 572964269 /nfs/dbraw/zinc/96/42/69/572964269.db2.gz KXXJQKIRGPKYIL-BDAKNGLRSA-N 1 1 199.298 1.243 10 30 ADEEMO C#Cc1cc(C)c(C)[nH+]c1N 208401572 572962209 /nfs/dbraw/zinc/96/22/09/572962209.db2.gz DDRXMYFCIHQXMI-UHFFFAOYSA-N 1 1 146.193 1.262 10 30 ADEEMO CC[N@H+](CCC#N)[C@H]1CCCC(=O)C1 86600837 572962481 /nfs/dbraw/zinc/96/24/81/572962481.db2.gz QKIJWBJJLTVDCY-JTQLQIEISA-N 1 1 194.278 1.734 10 30 ADEEMO CC[N@@H+](CCC#N)[C@H]1CCCC(=O)C1 86600837 572962483 /nfs/dbraw/zinc/96/24/83/572962483.db2.gz QKIJWBJJLTVDCY-JTQLQIEISA-N 1 1 194.278 1.734 10 30 ADEEMO CC[N@H+](CCC#N)[C@@H]1CCCC(=O)C1 86600835 572962789 /nfs/dbraw/zinc/96/27/89/572962789.db2.gz QKIJWBJJLTVDCY-SNVBAGLBSA-N 1 1 194.278 1.734 10 30 ADEEMO CC[N@@H+](CCC#N)[C@@H]1CCCC(=O)C1 86600835 572962792 /nfs/dbraw/zinc/96/27/92/572962792.db2.gz QKIJWBJJLTVDCY-SNVBAGLBSA-N 1 1 194.278 1.734 10 30 ADEEMO C#Cc1c[nH+]c(N)c(C)c1C 208401183 572962905 /nfs/dbraw/zinc/96/29/05/572962905.db2.gz RPWYHYUJQLQVAL-UHFFFAOYSA-N 1 1 146.193 1.262 10 30 ADEEMO C[C@H]1CCCC[C@H]1[N@@H+](C)C/C(N)=N/O 59000588 572964162 /nfs/dbraw/zinc/96/41/62/572964162.db2.gz KXXJQKIRGPKYIL-DTWKUNHWSA-N 1 1 199.298 1.243 10 30 ADEEMO C[C@H]1CCCC[C@@H]1[N@@H+](C)C/C(N)=N/O 59000584 572964418 /nfs/dbraw/zinc/96/44/18/572964418.db2.gz KXXJQKIRGPKYIL-IUCAKERBSA-N 1 1 199.298 1.243 10 30 ADEEMO CC(C)[N@H+](CCC#N)[C@@H]1CCC(=O)C1 86618204 572965385 /nfs/dbraw/zinc/96/53/85/572965385.db2.gz BGZCISGPQHPHSX-SNVBAGLBSA-N 1 1 194.278 1.732 10 30 ADEEMO CC(C)[N@@H+](CCC#N)[C@@H]1CCC(=O)C1 86618204 572965387 /nfs/dbraw/zinc/96/53/87/572965387.db2.gz BGZCISGPQHPHSX-SNVBAGLBSA-N 1 1 194.278 1.732 10 30 ADEEMO CC[N@H+](CCC#N)[C@H]1CCC(=O)C1 86618157 572966204 /nfs/dbraw/zinc/96/62/04/572966204.db2.gz RYKFUJDLIOENAA-VIFPVBQESA-N 1 1 180.251 1.344 10 30 ADEEMO C=CCCOc1cc(C)[nH+]cc1CO 88110414 572966107 /nfs/dbraw/zinc/96/61/07/572966107.db2.gz MEOWELKVDXUQPK-UHFFFAOYSA-N 1 1 193.246 1.837 10 30 ADEEMO CC[N@H+](C[C@@H](C)C#N)[C@@H]1CCC(=O)C1 86618202 572966179 /nfs/dbraw/zinc/96/61/79/572966179.db2.gz WXQXXTBVHCDACC-VHSXEESVSA-N 1 1 194.278 1.590 10 30 ADEEMO CC[N@@H+](C[C@@H](C)C#N)[C@@H]1CCC(=O)C1 86618202 572966181 /nfs/dbraw/zinc/96/61/81/572966181.db2.gz WXQXXTBVHCDACC-VHSXEESVSA-N 1 1 194.278 1.590 10 30 ADEEMO CC[N@@H+](CCC#N)[C@H]1CCC(=O)C1 86618157 572966206 /nfs/dbraw/zinc/96/62/06/572966206.db2.gz RYKFUJDLIOENAA-VIFPVBQESA-N 1 1 180.251 1.344 10 30 ADEEMO CC(C)[N@@H+](CCC#N)[C@H]1CCC(=O)C1 86618205 572967414 /nfs/dbraw/zinc/96/74/14/572967414.db2.gz BGZCISGPQHPHSX-JTQLQIEISA-N 1 1 194.278 1.732 10 30 ADEEMO CC[N@H+](CCC#N)[C@@H]1CCC(=O)C1 86618156 572967422 /nfs/dbraw/zinc/96/74/22/572967422.db2.gz RYKFUJDLIOENAA-SECBINFHSA-N 1 1 180.251 1.344 10 30 ADEEMO CC[N@@H+](CCC#N)[C@@H]1CCC(=O)C1 86618156 572967423 /nfs/dbraw/zinc/96/74/23/572967423.db2.gz RYKFUJDLIOENAA-SECBINFHSA-N 1 1 180.251 1.344 10 30 ADEEMO CC(C)[N@H+](CCC#N)[C@H]1CCC(=O)C1 86618205 572967412 /nfs/dbraw/zinc/96/74/12/572967412.db2.gz BGZCISGPQHPHSX-JTQLQIEISA-N 1 1 194.278 1.732 10 30 ADEEMO CC[N@H+](C[C@H](C)C#N)[C@@H]1CCC(=O)C1 86618203 572967479 /nfs/dbraw/zinc/96/74/79/572967479.db2.gz WXQXXTBVHCDACC-NXEZZACHSA-N 1 1 194.278 1.590 10 30 ADEEMO CC[N@@H+](C[C@H](C)C#N)[C@@H]1CCC(=O)C1 86618203 572967481 /nfs/dbraw/zinc/96/74/81/572967481.db2.gz WXQXXTBVHCDACC-NXEZZACHSA-N 1 1 194.278 1.590 10 30 ADEEMO C=CC(C)(C)[C@H]([NH3+])C(=O)OC(C)C 238177391 572967507 /nfs/dbraw/zinc/96/75/07/572967507.db2.gz ONVRTFLXPILSSP-MRVPVSSYSA-N 1 1 185.267 1.478 10 30 ADEEMO CCC[N@@H+](C)[C@H]1CC[C@@](C#N)(NC)C1 86622698 572968021 /nfs/dbraw/zinc/96/80/21/572968021.db2.gz IGQKTXDNVHQFDP-WDEREUQCSA-N 1 1 195.310 1.362 10 30 ADEEMO CCC[N@@H+](C)[C@@H]1CC[C@@](C#N)(NC)C1 86622697 572967780 /nfs/dbraw/zinc/96/77/80/572967780.db2.gz IGQKTXDNVHQFDP-GHMZBOCLSA-N 1 1 195.310 1.362 10 30 ADEEMO C[N@@H+](C/C(N)=N/O)C1CCCCCC1 59246874 572967838 /nfs/dbraw/zinc/96/78/38/572967838.db2.gz TVMIRBBXTQJGES-UHFFFAOYSA-N 1 1 199.298 1.387 10 30 ADEEMO CCN[C@@]1(C#N)CC[C@@H]([N@@H+](C)CC)C1 86622740 572968473 /nfs/dbraw/zinc/96/84/73/572968473.db2.gz LPPIWDRXVODFQL-MNOVXSKESA-N 1 1 195.310 1.362 10 30 ADEEMO C=CC[C@@H]([NH3+])c1nnc(CC(C)C)o1 238180354 572968916 /nfs/dbraw/zinc/96/89/16/572968916.db2.gz INWIMUUUWUTRBB-MRVPVSSYSA-N 1 1 195.266 1.844 10 30 ADEEMO C[N@H+](CCCCC#N)CC(C)(C)CN 86638268 572968974 /nfs/dbraw/zinc/96/89/74/572968974.db2.gz DAVCZNKCANJLIZ-UHFFFAOYSA-N 1 1 197.326 1.597 10 30 ADEEMO C[N@@H+](CCCCC#N)CC(C)(C)CN 86638268 572968975 /nfs/dbraw/zinc/96/89/75/572968975.db2.gz DAVCZNKCANJLIZ-UHFFFAOYSA-N 1 1 197.326 1.597 10 30 ADEEMO C=C/C=C/CC[N@H+](C)CC=O 713656770 572969142 /nfs/dbraw/zinc/96/91/42/572969142.db2.gz MWLLMMHWOXCTLT-SNAWJCMRSA-N 1 1 153.225 1.249 10 30 ADEEMO C=C/C=C\CC[N@H+](C)CC=O 713656763 572969249 /nfs/dbraw/zinc/96/92/49/572969249.db2.gz MWLLMMHWOXCTLT-PLNGDYQASA-N 1 1 153.225 1.249 10 30 ADEEMO C=CC(C)(C)[C@@H]([NH3+])C(=O)OC(C)C 238180804 572969263 /nfs/dbraw/zinc/96/92/63/572969263.db2.gz ONVRTFLXPILSSP-QMMMGPOBSA-N 1 1 185.267 1.478 10 30 ADEEMO C#CC[C@@H]([NH3+])c1nnc(CC(C)C)o1 238180326 572969328 /nfs/dbraw/zinc/96/93/28/572969328.db2.gz AYLNRADMWOTCLF-MRVPVSSYSA-N 1 1 193.250 1.291 10 30 ADEEMO C=C(C)C[C@@H]([NH3+])C(=O)OC(C)C 238180893 572970327 /nfs/dbraw/zinc/97/03/27/572970327.db2.gz PIAQNRFRCAGNPS-MRVPVSSYSA-N 1 1 171.240 1.232 10 30 ADEEMO CC(C)C#CC[N@@H+](CCO)C(C)C 238181319 572970713 /nfs/dbraw/zinc/97/07/13/572970713.db2.gz ITJDRBGKCCVHIF-UHFFFAOYSA-N 1 1 183.295 1.349 10 30 ADEEMO CCCCCC[N@@H+](C)C/C(N)=N/O 59462221 572971036 /nfs/dbraw/zinc/97/10/36/572971036.db2.gz PMNXSDRTLXORQM-UHFFFAOYSA-N 1 1 187.287 1.245 10 30 ADEEMO CCCCCC(N)=[NH+]NC(=N)CCC 238187073 572973838 /nfs/dbraw/zinc/97/38/38/572973838.db2.gz KVMXHLZFFFNBSC-UHFFFAOYSA-N 1 1 198.314 1.996 10 30 ADEEMO CCCC1C[NH+](C[C@@H](C)C#N)C1 86681449 572972959 /nfs/dbraw/zinc/97/29/59/572972959.db2.gz PGJOMGUFDVUHPM-VIFPVBQESA-N 1 1 166.268 1.878 10 30 ADEEMO CCCC1C[NH+](C[C@H](C)C#N)C1 86681451 572973892 /nfs/dbraw/zinc/97/38/92/572973892.db2.gz PGJOMGUFDVUHPM-SECBINFHSA-N 1 1 166.268 1.878 10 30 ADEEMO CCCCC(NOC(=O)NC)=[NH+]C 238188933 572977435 /nfs/dbraw/zinc/97/74/35/572977435.db2.gz LSAUFYSGZLSKFE-UHFFFAOYSA-N 1 1 187.243 1.066 10 30 ADEEMO C=CC[C@@H]([NH3+])c1nnc(C(C)C)o1 238190220 572977932 /nfs/dbraw/zinc/97/79/32/572977932.db2.gz KATZJCFQVCJQGI-SSDOTTSWSA-N 1 1 181.239 1.769 10 30 ADEEMO C=CCCCCC[N@H+]1CC[C@@H](N)C1 236307199 572978302 /nfs/dbraw/zinc/97/83/02/572978302.db2.gz XSUWZCDGINGYBM-LLVKDONJSA-N 1 1 182.311 1.766 10 30 ADEEMO C=CCCCCC[N@@H+]1CC[C@@H](N)C1 236307199 572978303 /nfs/dbraw/zinc/97/83/03/572978303.db2.gz XSUWZCDGINGYBM-LLVKDONJSA-N 1 1 182.311 1.766 10 30 ADEEMO C[C@@H](/C(N)=N/O)[N@H+]1CC[C@@H](C)C[C@H]1C 51732393 572978401 /nfs/dbraw/zinc/97/84/01/572978401.db2.gz QMXIMTDBHQVMOV-HLTSFMKQSA-N 1 1 199.298 1.242 10 30 ADEEMO C[C@H]1CC[N@@H+](CC/C(N)=N/O)[C@H](C)C1 51732346 572978442 /nfs/dbraw/zinc/97/84/42/572978442.db2.gz JWQBIDILUXWXIL-DTWKUNHWSA-N 1 1 199.298 1.243 10 30 ADEEMO C[C@@H]1CC[N@@H+](CC/C(N)=N/O)[C@H](C)C1 51732345 572978658 /nfs/dbraw/zinc/97/86/58/572978658.db2.gz JWQBIDILUXWXIL-RKDXNWHRSA-N 1 1 199.298 1.243 10 30 ADEEMO C[C@H](C=O)CCCc1[nH+]ccn1C 126599534 572978933 /nfs/dbraw/zinc/97/89/33/572978933.db2.gz AEDXGFSIJKOFSP-VIFPVBQESA-N 1 1 180.251 1.578 10 30 ADEEMO CC[C@H](CC#N)[N@H+]1CC[C@H](C)[C@H](O)C1 299902891 572979869 /nfs/dbraw/zinc/97/98/69/572979869.db2.gz DCYJNCKFPXFMPV-HBNTYKKESA-N 1 1 196.294 1.381 10 30 ADEEMO CC[C@H](CC#N)[N@H+]1CC[C@@H](C)[C@H](O)C1 299902889 572979887 /nfs/dbraw/zinc/97/98/87/572979887.db2.gz DCYJNCKFPXFMPV-GMTAPVOTSA-N 1 1 196.294 1.381 10 30 ADEEMO C[C@H](O)C[N@@H+](C)[C@@H]1CCCC[C@@H]1C#N 51819979 572980951 /nfs/dbraw/zinc/98/09/51/572980951.db2.gz TWKSWAAUIWIVRT-HBNTYKKESA-N 1 1 196.294 1.381 10 30 ADEEMO CO[C@@H]1C[N@H+](C[C@@H](C)C#N)CC[C@H]1C 299906559 572980143 /nfs/dbraw/zinc/98/01/43/572980143.db2.gz HDAWPOIJCAVERP-HBNTYKKESA-N 1 1 196.294 1.503 10 30 ADEEMO CO[C@@H]1C[N@@H+](C[C@@H](C)C#N)CC[C@H]1C 299906559 572980144 /nfs/dbraw/zinc/98/01/44/572980144.db2.gz HDAWPOIJCAVERP-HBNTYKKESA-N 1 1 196.294 1.503 10 30 ADEEMO CO[C@@H]1C[N@H+](C[C@H](C)C#N)CC[C@H]1C 299906558 572980519 /nfs/dbraw/zinc/98/05/19/572980519.db2.gz HDAWPOIJCAVERP-GMTAPVOTSA-N 1 1 196.294 1.503 10 30 ADEEMO CO[C@@H]1C[N@@H+](C[C@H](C)C#N)CC[C@H]1C 299906558 572980520 /nfs/dbraw/zinc/98/05/20/572980520.db2.gz HDAWPOIJCAVERP-GMTAPVOTSA-N 1 1 196.294 1.503 10 30 ADEEMO CO[C@@H]1C[N@H+](C[C@H](C)C#N)CC[C@@H]1C 299906560 572980693 /nfs/dbraw/zinc/98/06/93/572980693.db2.gz HDAWPOIJCAVERP-OUAUKWLOSA-N 1 1 196.294 1.503 10 30 ADEEMO CO[C@@H]1C[N@@H+](C[C@H](C)C#N)CC[C@@H]1C 299906560 572980694 /nfs/dbraw/zinc/98/06/94/572980694.db2.gz HDAWPOIJCAVERP-OUAUKWLOSA-N 1 1 196.294 1.503 10 30 ADEEMO CO[C@H]1CCC[N@H+](C[C@H](C)C#N)C1 299911032 572981598 /nfs/dbraw/zinc/98/15/98/572981598.db2.gz MQNRMLMCLGDAMB-ZJUUUORDSA-N 1 1 182.267 1.257 10 30 ADEEMO CO[C@H]1CCC[N@@H+](C[C@H](C)C#N)C1 299911032 572981599 /nfs/dbraw/zinc/98/15/99/572981599.db2.gz MQNRMLMCLGDAMB-ZJUUUORDSA-N 1 1 182.267 1.257 10 30 ADEEMO CO[C@@H]1CCC[N@H+](C[C@H](C)C#N)C1 299911031 572981610 /nfs/dbraw/zinc/98/16/10/572981610.db2.gz MQNRMLMCLGDAMB-NXEZZACHSA-N 1 1 182.267 1.257 10 30 ADEEMO CO[C@@H]1CCC[N@@H+](C[C@H](C)C#N)C1 299911031 572981611 /nfs/dbraw/zinc/98/16/11/572981611.db2.gz MQNRMLMCLGDAMB-NXEZZACHSA-N 1 1 182.267 1.257 10 30 ADEEMO C=C[C@H](C)[N@H+]1CC[C@H](C)[C@H]1CO 299918027 572985045 /nfs/dbraw/zinc/98/50/45/572985045.db2.gz YRSFNPNOHWNKPU-LPEHRKFASA-N 1 1 169.268 1.264 10 30 ADEEMO C=C[C@H](C)[N@H+]1CC[C@@H](C)[C@H]1CO 299918026 572985165 /nfs/dbraw/zinc/98/51/65/572985165.db2.gz YRSFNPNOHWNKPU-KXUCPTDWSA-N 1 1 169.268 1.264 10 30 ADEEMO Cc1[nH+]cn([C@@H](C)C/C(N)=N/O)c1C 51927125 572985335 /nfs/dbraw/zinc/98/53/35/572985335.db2.gz FFFINCKRDUOPKG-LURJTMIESA-N 1 1 196.254 1.197 10 30 ADEEMO C#CCn1c[nH+]c(C)c1C 51927751 572985370 /nfs/dbraw/zinc/98/53/70/572985370.db2.gz PNUFCVKUFALPFP-UHFFFAOYSA-N 1 1 134.182 1.133 10 30 ADEEMO CC[C@H](C#N)n1c[nH+]c(C)c1C 51927010 572985404 /nfs/dbraw/zinc/98/54/04/572985404.db2.gz PIDKBJLWAHTRIX-SECBINFHSA-N 1 1 163.224 1.975 10 30 ADEEMO Cc1[nH+]cn([C@H](C)C#N)c1C 51927012 572985406 /nfs/dbraw/zinc/98/54/06/572985406.db2.gz VIPHPKMNEPSQKY-ZCFIWIBFSA-N 1 1 149.197 1.585 10 30 ADEEMO C=C[C@H](C)[N@H+]1CC[C@H](C)[C@@H]1CO 299918025 572985794 /nfs/dbraw/zinc/98/57/94/572985794.db2.gz YRSFNPNOHWNKPU-GUBZILKMSA-N 1 1 169.268 1.264 10 30 ADEEMO CC[C@@H](/C(N)=N/O)n1c[nH+]c(C)c1C 51927130 572985926 /nfs/dbraw/zinc/98/59/26/572985926.db2.gz ATDOFPZNZVNZAW-QMMMGPOBSA-N 1 1 196.254 1.197 10 30 ADEEMO CC[C@@H](C#N)n1c[nH+]c(C)c1C 51927009 572986081 /nfs/dbraw/zinc/98/60/81/572986081.db2.gz PIDKBJLWAHTRIX-VIFPVBQESA-N 1 1 163.224 1.975 10 30 ADEEMO Cc1[nH+]cn([C@H](C)C/C(N)=N/O)c1C 51927126 572986278 /nfs/dbraw/zinc/98/62/78/572986278.db2.gz FFFINCKRDUOPKG-ZCFIWIBFSA-N 1 1 196.254 1.197 10 30 ADEEMO Cc1[nH+]cn([C@@H](C)C#N)c1C 51927011 572986398 /nfs/dbraw/zinc/98/63/98/572986398.db2.gz VIPHPKMNEPSQKY-LURJTMIESA-N 1 1 149.197 1.585 10 30 ADEEMO CC[C@H](/C(N)=N/O)n1c[nH+]c(C)c1C 51927131 572986578 /nfs/dbraw/zinc/98/65/78/572986578.db2.gz ATDOFPZNZVNZAW-MRVPVSSYSA-N 1 1 196.254 1.197 10 30 ADEEMO CN(C)c1ccc([C@H]([NH3+])CC#N)s1 104525926 572993526 /nfs/dbraw/zinc/99/35/26/572993526.db2.gz WKSIAPVINGOQLE-SSDOTTSWSA-N 1 1 195.291 1.728 10 30 ADEEMO CC(C)SCC[N@H+](C)CC=NO 714615863 572993728 /nfs/dbraw/zinc/99/37/28/572993728.db2.gz KGPHUESKMDIWDB-UHFFFAOYSA-N 1 1 190.312 1.520 10 30 ADEEMO CC(C)SCC[N@@H+](C)CC=NO 714615863 572993731 /nfs/dbraw/zinc/99/37/31/572993731.db2.gz KGPHUESKMDIWDB-UHFFFAOYSA-N 1 1 190.312 1.520 10 30 ADEEMO COCC1([NH2+][C@H](C)[C@@H](C)C#N)CC1 308216626 572993762 /nfs/dbraw/zinc/99/37/62/572993762.db2.gz AJGXHYABQLKWBE-DTWKUNHWSA-N 1 1 182.267 1.303 10 30 ADEEMO N#CC[C@@H]([NH3+])c1ccccc1N 104524906 572993997 /nfs/dbraw/zinc/99/39/97/572993997.db2.gz RVQFJKHEIIQPQY-SECBINFHSA-N 1 1 161.208 1.182 10 30 ADEEMO CCOC[C@@H]1CCCC[N@@H+]1CC=O 313445431 572994058 /nfs/dbraw/zinc/99/40/58/572994058.db2.gz PTVGFHSPEIELOY-JTQLQIEISA-N 1 1 185.267 1.076 10 30 ADEEMO CCOC[C@@H]1CCCC[N@H+]1CC=O 313445431 572994066 /nfs/dbraw/zinc/99/40/66/572994066.db2.gz PTVGFHSPEIELOY-JTQLQIEISA-N 1 1 185.267 1.076 10 30 ADEEMO COCC1([NH2+][C@H](C)[C@H](C)C#N)CC1 308216633 572994163 /nfs/dbraw/zinc/99/41/63/572994163.db2.gz AJGXHYABQLKWBE-RKDXNWHRSA-N 1 1 182.267 1.303 10 30 ADEEMO CCO[C@]1(CC=O)CCC[N@@H+](C)C1 257916705 572994783 /nfs/dbraw/zinc/99/47/83/572994783.db2.gz QXTTWMUFCCGCIR-JTQLQIEISA-N 1 1 185.267 1.076 10 30 ADEEMO CCO[C@@]1(CC=O)CCC[N@@H+](C)C1 257916707 572994988 /nfs/dbraw/zinc/99/49/88/572994988.db2.gz QXTTWMUFCCGCIR-SNVBAGLBSA-N 1 1 185.267 1.076 10 30 ADEEMO N#CC[C@@H]([NH3+])c1cccc2c1NCC2 104524417 572995309 /nfs/dbraw/zinc/99/53/09/572995309.db2.gz BPVLZBKAUNBLGR-SNVBAGLBSA-N 1 1 187.246 1.568 10 30 ADEEMO Cc1cc(C)c([C@H]([NH3+])CC#N)[nH]1 104525938 572996682 /nfs/dbraw/zinc/99/66/82/572996682.db2.gz RXCUAGRQVSYJAZ-MRVPVSSYSA-N 1 1 163.224 1.545 10 30 ADEEMO C[N@@H+](CC=O)CC1(C)CCC1 714616205 572998130 /nfs/dbraw/zinc/99/81/30/572998130.db2.gz LNYMNUNZVYCMHA-UHFFFAOYSA-N 1 1 155.241 1.307 10 30 ADEEMO C=C[C@H](C)C[N@@H+](C)CCCCCO 308219574 572998290 /nfs/dbraw/zinc/99/82/90/572998290.db2.gz BPBQTUYXOIJWBX-NSHDSACASA-N 1 1 185.311 1.903 10 30 ADEEMO CC(C)O[C@]1(C=O)CCC[N@@H+](C)CC1 258212877 573000337 /nfs/dbraw/zinc/00/03/37/573000337.db2.gz XVEOWSMELXJDTD-LLVKDONJSA-N 1 1 199.294 1.465 10 30 ADEEMO C=CCC[C@H](C)[NH2+][C@H](CC)C(=O)OC 308473862 573003118 /nfs/dbraw/zinc/00/31/18/573003118.db2.gz KFEINYYTIDYDKA-VHSXEESVSA-N 1 1 199.294 1.882 10 30 ADEEMO C=CCC[C@@H](C)[NH2+][C@H](CC)C(=O)OC 308473285 573003170 /nfs/dbraw/zinc/00/31/70/573003170.db2.gz KFEINYYTIDYDKA-NXEZZACHSA-N 1 1 199.294 1.882 10 30 ADEEMO C#CC[N@@H+](CC#CC)CCCC=C 308220350 573004670 /nfs/dbraw/zinc/00/46/70/573004670.db2.gz CFVVRUAVPKNNMF-UHFFFAOYSA-N 1 1 175.275 1.911 10 30 ADEEMO CO[C@@]1(C=O)CCC[N@H+](C(C)C)CC1 257923718 573006296 /nfs/dbraw/zinc/00/62/96/573006296.db2.gz YOTAZZASLYSMIK-NSHDSACASA-N 1 1 199.294 1.465 10 30 ADEEMO C=CCC[C@H](C)[NH2+][C@@H](CC)C(=O)OC 308473860 573006633 /nfs/dbraw/zinc/00/66/33/573006633.db2.gz KFEINYYTIDYDKA-UWVGGRQHSA-N 1 1 199.294 1.882 10 30 ADEEMO CCOCCC[C@@]1(C#N)CCC[NH2+]1 308222072 573006987 /nfs/dbraw/zinc/00/69/87/573006987.db2.gz OSMDPFAFWWVPAI-SNVBAGLBSA-N 1 1 182.267 1.449 10 30 ADEEMO CO[C@]1(C=O)CCC[N@H+](C(C)C)CC1 257923716 573007010 /nfs/dbraw/zinc/00/70/10/573007010.db2.gz YOTAZZASLYSMIK-LLVKDONJSA-N 1 1 199.294 1.465 10 30 ADEEMO CCOCCC[C@]1(C#N)CCC[NH2+]1 308222070 573008630 /nfs/dbraw/zinc/00/86/30/573008630.db2.gz OSMDPFAFWWVPAI-JTQLQIEISA-N 1 1 182.267 1.449 10 30 ADEEMO C=CCC[C@@H](C)[NH2+][C@@H](CC)C(=O)OC 308473864 573007685 /nfs/dbraw/zinc/00/76/85/573007685.db2.gz KFEINYYTIDYDKA-ZJUUUORDSA-N 1 1 199.294 1.882 10 30 ADEEMO C[N@H+]1CCCN2[C@H](CC#N)CC[C@@H]2C1 259598630 573007896 /nfs/dbraw/zinc/00/78/96/573007896.db2.gz FYMBSNNLHLLXPY-WDEREUQCSA-N 1 1 193.294 1.069 10 30 ADEEMO C[C@@H]1CC[C@@H]2[NH2+][C@H](C#N)C[C@@H]2C1 259598454 573007988 /nfs/dbraw/zinc/00/79/88/573007988.db2.gz GKMFQDNCLLXGAQ-KATARQTJSA-N 1 1 164.252 1.677 10 30 ADEEMO C[N@H+]1CCCN2[C@H](CC#N)CC[C@H]2C1 259598625 573008014 /nfs/dbraw/zinc/00/80/14/573008014.db2.gz FYMBSNNLHLLXPY-QWRGUYRKSA-N 1 1 193.294 1.069 10 30 ADEEMO C=C(CCO)[C@@H]1CCC[N@@H+]1C(C)C 258221711 573008858 /nfs/dbraw/zinc/00/88/58/573008858.db2.gz OUKVGWCYWSDLPF-NSHDSACASA-N 1 1 183.295 1.798 10 30 ADEEMO CC[C@H](C#N)[C@@]1(O)CC[N@H+]2CCC[C@@H]21 123429071 573009068 /nfs/dbraw/zinc/00/90/68/573009068.db2.gz WSPILUFPADCFCZ-MXWKQRLJSA-N 1 1 194.278 1.135 10 30 ADEEMO C=C(CC=O)[C@H]1CCCC[N@@H+]1C 258221844 573009089 /nfs/dbraw/zinc/00/90/89/573009089.db2.gz OZCIONGIXBCQDT-SNVBAGLBSA-N 1 1 167.252 1.616 10 30 ADEEMO C[C@@H]1CC[C@@H]2[NH2+][C@@H](C#N)C[C@@H]2C1 259598464 573009131 /nfs/dbraw/zinc/00/91/31/573009131.db2.gz GKMFQDNCLLXGAQ-RGOKHQFPSA-N 1 1 164.252 1.677 10 30 ADEEMO CC(C)(C#N)[C@]1(O)CC[N@H+]2CCC[C@@H]21 123426932 573009406 /nfs/dbraw/zinc/00/94/06/573009406.db2.gz DKKSOEYCBBSQMH-KOLCDFICSA-N 1 1 194.278 1.135 10 30 ADEEMO CC(C)[C@]([NH3+])(C#N)C1CC1 104557399 573009444 /nfs/dbraw/zinc/00/94/44/573009444.db2.gz DAFZPYUOADYPFN-MRVPVSSYSA-N 1 1 138.214 1.273 10 30 ADEEMO C[N@H+]1CCCN2[C@@H](CC#N)CC[C@@H]2C1 259598617 573010152 /nfs/dbraw/zinc/01/01/52/573010152.db2.gz FYMBSNNLHLLXPY-GHMZBOCLSA-N 1 1 193.294 1.069 10 30 ADEEMO C[C@@H]1CC[C@@H]2[NH2+][C@@H](C#N)C[C@H]2C1 259598459 573009910 /nfs/dbraw/zinc/00/99/10/573009910.db2.gz GKMFQDNCLLXGAQ-KYXWUPHJSA-N 1 1 164.252 1.677 10 30 ADEEMO C[C@@H]1CC[C@@H]2[NH2+][C@H](C#N)C[C@H]2C1 259598449 573009935 /nfs/dbraw/zinc/00/99/35/573009935.db2.gz GKMFQDNCLLXGAQ-IMSYWVGJSA-N 1 1 164.252 1.677 10 30 ADEEMO CC(C)[C@@]([NH3+])(C#N)C1CC1 104557392 573010022 /nfs/dbraw/zinc/01/00/22/573010022.db2.gz DAFZPYUOADYPFN-QMMMGPOBSA-N 1 1 138.214 1.273 10 30 ADEEMO C[N@H+]1CCCN2[C@@H](CC[C@@H]2CC#N)C1 259598622 573010289 /nfs/dbraw/zinc/01/02/89/573010289.db2.gz FYMBSNNLHLLXPY-MNOVXSKESA-N 1 1 193.294 1.069 10 30 ADEEMO CC(C)(C#N)[C@@]1(O)CC[N@H+]2CCC[C@@H]21 123427189 573010664 /nfs/dbraw/zinc/01/06/64/573010664.db2.gz DKKSOEYCBBSQMH-MWLCHTKSSA-N 1 1 194.278 1.135 10 30 ADEEMO CC[C@H](C#N)[C@]1(O)CC[N@H+]2CCC[C@@H]21 123428582 573010749 /nfs/dbraw/zinc/01/07/49/573010749.db2.gz WSPILUFPADCFCZ-GMTAPVOTSA-N 1 1 194.278 1.135 10 30 ADEEMO CC(C)[N@H+]1CCC[C@@H]1CC#CC=O 258220128 573011708 /nfs/dbraw/zinc/01/17/08/573011708.db2.gz OTAUWDDOEJQUEI-NSHDSACASA-N 1 1 179.263 1.452 10 30 ADEEMO CC(C)[N@H+]1CCC[C@H](CC#CC=O)C1 258220201 573012351 /nfs/dbraw/zinc/01/23/51/573012351.db2.gz OTLACABPTXIGNN-LBPRGKRZSA-N 1 1 193.290 1.699 10 30 ADEEMO CC[N@H+]1CCCC[C@H]1CC#CCO 258218545 573012451 /nfs/dbraw/zinc/01/24/51/573012451.db2.gz OOIWRKLWHYKRIO-NSHDSACASA-N 1 1 181.279 1.247 10 30 ADEEMO CC[N@H+]1CCCC[C@@H]1CC#CCO 258218539 573012681 /nfs/dbraw/zinc/01/26/81/573012681.db2.gz OOIWRKLWHYKRIO-LLVKDONJSA-N 1 1 181.279 1.247 10 30 ADEEMO CC(C)[N@H+]1CCC[C@H]1CC#CC=O 258220124 573012540 /nfs/dbraw/zinc/01/25/40/573012540.db2.gz OTAUWDDOEJQUEI-LLVKDONJSA-N 1 1 179.263 1.452 10 30 ADEEMO C=C(CC=O)C[C@@H]1CC[N@H+](CC)C1 258221743 573012589 /nfs/dbraw/zinc/01/25/89/573012589.db2.gz OVZCLODXTRXMCT-NSHDSACASA-N 1 1 181.279 1.864 10 30 ADEEMO C=C(CCO)[C@H]1CCC[N@@H+]1C(C)C 258221710 573013487 /nfs/dbraw/zinc/01/34/87/573013487.db2.gz OUKVGWCYWSDLPF-LLVKDONJSA-N 1 1 183.295 1.798 10 30 ADEEMO C=C(CC=O)C[C@H]1CC[N@H+](CC)C1 258221742 573013569 /nfs/dbraw/zinc/01/35/69/573013569.db2.gz OVZCLODXTRXMCT-LLVKDONJSA-N 1 1 181.279 1.864 10 30 ADEEMO C=C(CCO)[C@H]1CCC[N@@H+]1C 258227765 573023538 /nfs/dbraw/zinc/02/35/38/573023538.db2.gz PFOKPONFQPLZSX-SECBINFHSA-N 1 1 155.241 1.019 10 30 ADEEMO CC#CC[NH2+]C(CN)(C1CC1)C1CC1 308480021 573015625 /nfs/dbraw/zinc/01/56/25/573015625.db2.gz MJHGEPTWGUVAFG-UHFFFAOYSA-N 1 1 192.306 1.117 10 30 ADEEMO C=C[C@H](C)C[N@@H+](C)Cc1ccno1 308222514 573016727 /nfs/dbraw/zinc/01/67/27/573016727.db2.gz CSRNZGQREXLJKM-VIFPVBQESA-N 1 1 180.251 1.929 10 30 ADEEMO Cc1nc([C@@H](C#N)C[NH3+])sc1C 259596127 573016986 /nfs/dbraw/zinc/01/69/86/573016986.db2.gz FBDGAJISRXDHMS-SSDOTTSWSA-N 1 1 181.264 1.326 10 30 ADEEMO CCCC[C@@](C)([NH3+])C#N 104567153 573017140 /nfs/dbraw/zinc/01/71/40/573017140.db2.gz JDXCSRCKPIXTNU-SSDOTTSWSA-N 1 1 126.203 1.418 10 30 ADEEMO CCC[C@]([NH3+])(C#N)C1CC1 104570977 573017907 /nfs/dbraw/zinc/01/79/07/573017907.db2.gz LAZDWTZKUYBDSM-QMMMGPOBSA-N 1 1 138.214 1.418 10 30 ADEEMO C=C(C(=O)OC)[C@H]1CC[N@H+](C(C)C)C1 258223748 573018692 /nfs/dbraw/zinc/01/86/92/573018692.db2.gz OZFJQZJAVFYBEP-JTQLQIEISA-N 1 1 197.278 1.446 10 30 ADEEMO C=C(C(=O)OC)[C@@H]1CC[N@H+](C(C)C)C1 258223749 573019748 /nfs/dbraw/zinc/01/97/48/573019748.db2.gz OZFJQZJAVFYBEP-SNVBAGLBSA-N 1 1 197.278 1.446 10 30 ADEEMO Cn1ccc([C@H]2C[N@H+](C)C[C@@H]2C#N)c1 259596097 573019833 /nfs/dbraw/zinc/01/98/33/573019833.db2.gz FWHNFHLZFIEMTN-WDEREUQCSA-N 1 1 189.262 1.194 10 30 ADEEMO Cn1ccc([C@H]2C[N@@H+](C)C[C@@H]2C#N)c1 259596097 573019839 /nfs/dbraw/zinc/01/98/39/573019839.db2.gz FWHNFHLZFIEMTN-WDEREUQCSA-N 1 1 189.262 1.194 10 30 ADEEMO CCCC[C@](C)([NH3+])C#N 104567150 573019870 /nfs/dbraw/zinc/01/98/70/573019870.db2.gz JDXCSRCKPIXTNU-ZETCQYMHSA-N 1 1 126.203 1.418 10 30 ADEEMO Cc1nc([C@H](C#N)C[NH3+])sc1C 259596131 573020641 /nfs/dbraw/zinc/02/06/41/573020641.db2.gz FBDGAJISRXDHMS-ZETCQYMHSA-N 1 1 181.264 1.326 10 30 ADEEMO N#C[C@H]1C[NH2+]Cc2c1ccc1[nH]ccc21 259595928 573020669 /nfs/dbraw/zinc/02/06/69/573020669.db2.gz FUYXVUPASWPMPI-QMMMGPOBSA-N 1 1 197.241 1.878 10 30 ADEEMO Cn1ccc([C@H]2C[N@H+](C)C[C@H]2C#N)c1 259596084 573021044 /nfs/dbraw/zinc/02/10/44/573021044.db2.gz FWHNFHLZFIEMTN-GHMZBOCLSA-N 1 1 189.262 1.194 10 30 ADEEMO Cn1ccc([C@H]2C[N@@H+](C)C[C@H]2C#N)c1 259596084 573021047 /nfs/dbraw/zinc/02/10/47/573021047.db2.gz FWHNFHLZFIEMTN-GHMZBOCLSA-N 1 1 189.262 1.194 10 30 ADEEMO Cn1ccc([C@@H]2C[N@H+](C)C[C@H]2C#N)c1 259596088 573021236 /nfs/dbraw/zinc/02/12/36/573021236.db2.gz FWHNFHLZFIEMTN-MNOVXSKESA-N 1 1 189.262 1.194 10 30 ADEEMO Cn1ccc([C@@H]2C[N@@H+](C)C[C@H]2C#N)c1 259596088 573021242 /nfs/dbraw/zinc/02/12/42/573021242.db2.gz FWHNFHLZFIEMTN-MNOVXSKESA-N 1 1 189.262 1.194 10 30 ADEEMO C=C[C@@H](C)[N@H+](C)CC(=O)NCCC 308484331 573021610 /nfs/dbraw/zinc/02/16/10/573021610.db2.gz OLDDCKQLJAEAGS-SECBINFHSA-N 1 1 184.283 1.019 10 30 ADEEMO C=CCCCC[NH2+]Cc1noc(C)n1 308484136 573021848 /nfs/dbraw/zinc/02/18/48/573021848.db2.gz NNPJWEBTJJUKDJ-UHFFFAOYSA-N 1 1 195.266 1.824 10 30 ADEEMO CC[N@@H+](CCCCC#N)C[C@H](C)O 308225940 573021955 /nfs/dbraw/zinc/02/19/55/573021955.db2.gz MXWKFGCLOYKLNT-JTQLQIEISA-N 1 1 184.283 1.383 10 30 ADEEMO C#C[C@@H](C)[NH2+]Cc1cnccc1OC 308482922 573022305 /nfs/dbraw/zinc/02/23/05/573022305.db2.gz NGQCIQNOQRJFKJ-SECBINFHSA-N 1 1 190.246 1.202 10 30 ADEEMO C=C[C@H](C)[N@H+](C)CC(=O)NCCC 308484334 573022547 /nfs/dbraw/zinc/02/25/47/573022547.db2.gz OLDDCKQLJAEAGS-VIFPVBQESA-N 1 1 184.283 1.019 10 30 ADEEMO COCCC[N@H+]1CC[C@@H](C#N)[C@H]1C 259313112 573022539 /nfs/dbraw/zinc/02/25/39/573022539.db2.gz QIQFGVDMQIJIOU-ZJUUUORDSA-N 1 1 182.267 1.257 10 30 ADEEMO C[N@@H+](CCC[C@@H]1CO1)C[C@H]1CCCO1 308484657 573022787 /nfs/dbraw/zinc/02/27/87/573022787.db2.gz MYPXEDJGHWMZPT-GHMZBOCLSA-N 1 1 199.294 1.276 10 30 ADEEMO N#CC[C@H]([NH3+])c1ccc(N)cc1 104573608 573022819 /nfs/dbraw/zinc/02/28/19/573022819.db2.gz LHZYIVXOINTNPP-VIFPVBQESA-N 1 1 161.208 1.182 10 30 ADEEMO C[N@@H+](CCC[C@H]1CO1)C[C@H]1CCCO1 308484660 573022966 /nfs/dbraw/zinc/02/29/66/573022966.db2.gz MYPXEDJGHWMZPT-MNOVXSKESA-N 1 1 199.294 1.276 10 30 ADEEMO Cc1ccc(N)c([C@@H]([NH3+])CC#N)c1 104575000 573023006 /nfs/dbraw/zinc/02/30/06/573023006.db2.gz KQMLFSGECOTYRK-JTQLQIEISA-N 1 1 175.235 1.491 10 30 ADEEMO Cc1cc(O)ccc1[C@@H]([NH3+])CC#N 104576772 573023717 /nfs/dbraw/zinc/02/37/17/573023717.db2.gz QNFPZRIPZFLMOS-JTQLQIEISA-N 1 1 176.219 1.614 10 30 ADEEMO Cc1ccc(N)c([C@H]([NH3+])CC#N)c1 104574995 573024458 /nfs/dbraw/zinc/02/44/58/573024458.db2.gz KQMLFSGECOTYRK-SNVBAGLBSA-N 1 1 175.235 1.491 10 30 ADEEMO N#CC[C@H]([NH3+])c1cccc(CO)c1 104574352 573026504 /nfs/dbraw/zinc/02/65/04/573026504.db2.gz NXBVZZRSFQGIPZ-JTQLQIEISA-N 1 1 176.219 1.092 10 30 ADEEMO C=C(CCO)[C@@H]1CCC[N@@H+]1C 258227766 573026699 /nfs/dbraw/zinc/02/66/99/573026699.db2.gz PFOKPONFQPLZSX-VIFPVBQESA-N 1 1 155.241 1.019 10 30 ADEEMO N#CC[C@@H]([NH3+])c1cc(N)ccc1F 104573851 573026753 /nfs/dbraw/zinc/02/67/53/573026753.db2.gz LYTVBHHRRUUZQN-SECBINFHSA-N 1 1 179.198 1.321 10 30 ADEEMO C#CCCC[N@@H+]1CC[C@H](CO)[C@@H]1C 308228727 573027100 /nfs/dbraw/zinc/02/71/00/573027100.db2.gz FVYYHRVZXUSGOV-WDEREUQCSA-N 1 1 181.279 1.103 10 30 ADEEMO C#CCCC[N@@H+]1CC[C@@H](CO)[C@@H]1C 308228724 573027714 /nfs/dbraw/zinc/02/77/14/573027714.db2.gz FVYYHRVZXUSGOV-QWRGUYRKSA-N 1 1 181.279 1.103 10 30 ADEEMO C=C(C)CN[C@@]1(C[NH3+])CCC1(C)C 308227679 573028022 /nfs/dbraw/zinc/02/80/22/573028022.db2.gz RKAMIKWSHRTGCX-LLVKDONJSA-N 1 1 182.311 1.670 10 30 ADEEMO COC(C)(C)CC[C@]1(C#N)CCC[NH2+]1 308477054 573028311 /nfs/dbraw/zinc/02/83/11/573028311.db2.gz FCGGFDREAJGMGR-NSHDSACASA-N 1 1 196.294 1.837 10 30 ADEEMO C[C@@H]1C[C@@H](C#N)CC[N@H+]1C 82410622 573028354 /nfs/dbraw/zinc/02/83/54/573028354.db2.gz FHEQFQXPQRAWAR-SFYZADRCSA-N 1 1 138.214 1.240 10 30 ADEEMO Cc1cc([C@H]([NH3+])CC#N)ccc1N 104579590 573029182 /nfs/dbraw/zinc/02/91/82/573029182.db2.gz BWKGOQHZUFZUII-SNVBAGLBSA-N 1 1 175.235 1.491 10 30 ADEEMO N#CC[C@H]([NH3+])c1ccccc1CO 104578725 573029682 /nfs/dbraw/zinc/02/96/82/573029682.db2.gz VCERDCZEUHFYHT-JTQLQIEISA-N 1 1 176.219 1.092 10 30 ADEEMO CN(C)[C@@H](CC#N)C1CC[NH+](C)CC1 259315454 573029741 /nfs/dbraw/zinc/02/97/41/573029741.db2.gz DLIQTVVZUKTARZ-NSHDSACASA-N 1 1 195.310 1.172 10 30 ADEEMO Cc1ccc([C@@H]([NH3+])CC#N)cc1O 104580105 573030530 /nfs/dbraw/zinc/03/05/30/573030530.db2.gz KOJRULBWYOERJG-VIFPVBQESA-N 1 1 176.219 1.614 10 30 ADEEMO Cc1c(O)cccc1[C@H]([NH3+])CC#N 104579077 573030593 /nfs/dbraw/zinc/03/05/93/573030593.db2.gz HSDYRWIFQGRAFC-SECBINFHSA-N 1 1 176.219 1.614 10 30 ADEEMO C[C@@H]1C[C@H](C#N)CC[N@H+]1C 82410620 573030652 /nfs/dbraw/zinc/03/06/52/573030652.db2.gz FHEQFQXPQRAWAR-HTQZYQBOSA-N 1 1 138.214 1.240 10 30 ADEEMO Cc1ccc(O)cc1[C@@H]([NH3+])CC#N 104577429 573031505 /nfs/dbraw/zinc/03/15/05/573031505.db2.gz SUSPTOBZHCLHOR-JTQLQIEISA-N 1 1 176.219 1.614 10 30 ADEEMO CCO[C@](C)(C=O)[C@@H]1CCC[N@@H+](C)C1 257931713 573031129 /nfs/dbraw/zinc/03/11/29/573031129.db2.gz ZUSHDGNFUVOIGG-GHMZBOCLSA-N 1 1 199.294 1.322 10 30 ADEEMO CN(C)[C@H](CC#N)C1CC[NH+](C)CC1 259315452 573031199 /nfs/dbraw/zinc/03/11/99/573031199.db2.gz DLIQTVVZUKTARZ-LLVKDONJSA-N 1 1 195.310 1.172 10 30 ADEEMO CCO[C@](C)(C=O)[C@H]1CCC[N@@H+](C)C1 257931722 573031247 /nfs/dbraw/zinc/03/12/47/573031247.db2.gz ZUSHDGNFUVOIGG-WDEREUQCSA-N 1 1 199.294 1.322 10 30 ADEEMO CCO[C@@](C)(C=O)[C@H]1CCC[N@@H+](C)C1 257931718 573031374 /nfs/dbraw/zinc/03/13/74/573031374.db2.gz ZUSHDGNFUVOIGG-QWRGUYRKSA-N 1 1 199.294 1.322 10 30 ADEEMO N#CC[C@@H]([NH3+])c1ccc(CO)cc1 104577514 573032037 /nfs/dbraw/zinc/03/20/37/573032037.db2.gz XGHPFRLJGZBZLE-SNVBAGLBSA-N 1 1 176.219 1.092 10 30 ADEEMO Cc1cc([C@@H]([NH3+])CC#N)ccc1N 104579593 573032135 /nfs/dbraw/zinc/03/21/35/573032135.db2.gz BWKGOQHZUFZUII-JTQLQIEISA-N 1 1 175.235 1.491 10 30 ADEEMO CC[N@H+]1CCC[C@](C=O)(OC)CC1 257931925 573032334 /nfs/dbraw/zinc/03/23/34/573032334.db2.gz SZVIROXSHMYFHD-JTQLQIEISA-N 1 1 185.267 1.076 10 30 ADEEMO N#CC[C@@H]([NH3+])c1ccc(N)c(F)c1 104579171 573032503 /nfs/dbraw/zinc/03/25/03/573032503.db2.gz QRXZJORSJQVIPJ-MRVPVSSYSA-N 1 1 179.198 1.321 10 30 ADEEMO Cc1cccc([C@H]([NH3+])CC#N)c1N 104577073 573032546 /nfs/dbraw/zinc/03/25/46/573032546.db2.gz DDZWFUVZGYBRDX-SECBINFHSA-N 1 1 175.235 1.491 10 30 ADEEMO N#CC[C@H]([NH3+])c1cccc(N)c1 104579037 573032763 /nfs/dbraw/zinc/03/27/63/573032763.db2.gz GKKNPGRGYATMRN-VIFPVBQESA-N 1 1 161.208 1.182 10 30 ADEEMO Cc1cccc([C@@H]([NH3+])CC#N)c1N 104577075 573032842 /nfs/dbraw/zinc/03/28/42/573032842.db2.gz DDZWFUVZGYBRDX-VIFPVBQESA-N 1 1 175.235 1.491 10 30 ADEEMO N#CC[C@H]([NH3+])c1ccc(N)c(F)c1 104579173 573032989 /nfs/dbraw/zinc/03/29/89/573032989.db2.gz QRXZJORSJQVIPJ-QMMMGPOBSA-N 1 1 179.198 1.321 10 30 ADEEMO CC[N@H+]1CCC[C@@](C=O)(OC)CC1 257931927 573032997 /nfs/dbraw/zinc/03/29/97/573032997.db2.gz SZVIROXSHMYFHD-SNVBAGLBSA-N 1 1 185.267 1.076 10 30 ADEEMO Cc1c(O)cccc1[C@@H]([NH3+])CC#N 104579079 573033147 /nfs/dbraw/zinc/03/31/47/573033147.db2.gz HSDYRWIFQGRAFC-VIFPVBQESA-N 1 1 176.219 1.614 10 30 ADEEMO Cc1ccc(O)cc1[C@H]([NH3+])CC#N 104577425 573033192 /nfs/dbraw/zinc/03/31/92/573033192.db2.gz SUSPTOBZHCLHOR-SNVBAGLBSA-N 1 1 176.219 1.614 10 30 ADEEMO Cc1ccc([C@H]([NH3+])CC#N)cc1O 104580100 573033710 /nfs/dbraw/zinc/03/37/10/573033710.db2.gz KOJRULBWYOERJG-SECBINFHSA-N 1 1 176.219 1.614 10 30 ADEEMO N#CC[C@H]([NH3+])c1ccc(CO)cc1 104577518 573033826 /nfs/dbraw/zinc/03/38/26/573033826.db2.gz XGHPFRLJGZBZLE-JTQLQIEISA-N 1 1 176.219 1.092 10 30 ADEEMO C[N@H+]1CCC[C@@H](C(F)(F)C=O)C1 257927151 573033921 /nfs/dbraw/zinc/03/39/21/573033921.db2.gz SHORBIAYPPHHDS-SSDOTTSWSA-N 1 1 177.194 1.162 10 30 ADEEMO Cc1cc(N)ccc1[C@@H]([NH3+])CC#N 104581642 573034654 /nfs/dbraw/zinc/03/46/54/573034654.db2.gz DCSIVDDFXIKCHA-JTQLQIEISA-N 1 1 175.235 1.491 10 30 ADEEMO Cc1ccc([C@@H]([NH3+])CC#N)cc1N 104581821 573034882 /nfs/dbraw/zinc/03/48/82/573034882.db2.gz VHWHTOKERWWRIR-VIFPVBQESA-N 1 1 175.235 1.491 10 30 ADEEMO CC(C)/C=N/CCC[NH3+] 104582442 573035253 /nfs/dbraw/zinc/03/52/53/573035253.db2.gz NPCHNAGNMWVBKW-RMKNXTFCSA-N 1 1 128.219 1.062 10 30 ADEEMO CCO[C@]1(C=O)CCC[N@H+](C(C)C)C1 257925645 573035501 /nfs/dbraw/zinc/03/55/01/573035501.db2.gz YVMMURNPGXBOCB-LLVKDONJSA-N 1 1 199.294 1.465 10 30 ADEEMO N#CC[C@@H]([NH3+])c1ccc(F)c(N)c1 104581228 573036033 /nfs/dbraw/zinc/03/60/33/573036033.db2.gz GSGNFDRYXUGNSJ-MRVPVSSYSA-N 1 1 179.198 1.321 10 30 ADEEMO C[N@H+]1CCC[C@H](C(F)(F)C=O)C1 257927153 573036106 /nfs/dbraw/zinc/03/61/06/573036106.db2.gz SHORBIAYPPHHDS-ZETCQYMHSA-N 1 1 177.194 1.162 10 30 ADEEMO N#CCCCc1cnc[nH]1 104582185 573036255 /nfs/dbraw/zinc/03/62/55/573036255.db2.gz VHNVDEXBAMWCJR-UHFFFAOYSA-N 1 1 135.170 1.256 10 30 ADEEMO N#CC[C@H]([NH3+])c1ccc(F)c(N)c1 104581233 573036403 /nfs/dbraw/zinc/03/64/03/573036403.db2.gz GSGNFDRYXUGNSJ-QMMMGPOBSA-N 1 1 179.198 1.321 10 30 ADEEMO CO[C@](C)(CC=O)[C@H]1CCC[N@@H+](C)C1 257927069 573036425 /nfs/dbraw/zinc/03/64/25/573036425.db2.gz ZCBQIGNVXACNNQ-WDEREUQCSA-N 1 1 199.294 1.322 10 30 ADEEMO CO[C@@](C)(CC=O)[C@H]1CCC[N@@H+](C)C1 257927065 573036506 /nfs/dbraw/zinc/03/65/06/573036506.db2.gz ZCBQIGNVXACNNQ-QWRGUYRKSA-N 1 1 199.294 1.322 10 30 ADEEMO C=CC[N@H+](CCO)C[C@@H]1CC=CCC1 128443098 573036793 /nfs/dbraw/zinc/03/67/93/573036793.db2.gz KDXGZHFNVMWWBM-GFCCVEGCSA-N 1 1 195.306 1.823 10 30 ADEEMO C=CC[N@H+](CCO)Cc1occc1C 128445405 573037947 /nfs/dbraw/zinc/03/79/47/573037947.db2.gz XOZFYCLFNPMFNC-UHFFFAOYSA-N 1 1 195.262 1.568 10 30 ADEEMO CC[N@H+]1CCC=C(CS)C1 257925971 573038375 /nfs/dbraw/zinc/03/83/75/573038375.db2.gz CIPXBKAZPJJQKK-UHFFFAOYSA-N 1 1 157.282 1.568 10 30 ADEEMO CO[C@@](C)(CC=O)[C@@H]1CCC[N@@H+](C)C1 257927062 573038618 /nfs/dbraw/zinc/03/86/18/573038618.db2.gz ZCBQIGNVXACNNQ-MNOVXSKESA-N 1 1 199.294 1.322 10 30 ADEEMO N#C[C@H]1CCCc2[nH+]ccn21 259599947 573038869 /nfs/dbraw/zinc/03/88/69/573038869.db2.gz CRMPPAQYWWEWAD-SSDOTTSWSA-N 1 1 147.181 1.284 10 30 ADEEMO CCO[C@@]1(C=O)CCC[N@H+](C(C)C)C1 257925646 573039185 /nfs/dbraw/zinc/03/91/85/573039185.db2.gz YVMMURNPGXBOCB-NSHDSACASA-N 1 1 199.294 1.465 10 30 ADEEMO C=CC[N@H+](CCO)Cc1ccn(C)c1 128443577 573038975 /nfs/dbraw/zinc/03/89/75/573038975.db2.gz KATRWFXDYADPDJ-UHFFFAOYSA-N 1 1 194.278 1.005 10 30 ADEEMO CO[C@](C)(CC=O)[C@@H]1CCC[N@@H+](C)C1 257927058 573039040 /nfs/dbraw/zinc/03/90/40/573039040.db2.gz ZCBQIGNVXACNNQ-GHMZBOCLSA-N 1 1 199.294 1.322 10 30 ADEEMO C=CC[N@H+](CCO)C[C@H]1CC=CCC1 128442894 573039444 /nfs/dbraw/zinc/03/94/44/573039444.db2.gz KDXGZHFNVMWWBM-LBPRGKRZSA-N 1 1 195.306 1.823 10 30 ADEEMO C=CC[N@H+](CC)C[C@H](O)CC(C)C 308233359 573039831 /nfs/dbraw/zinc/03/98/31/573039831.db2.gz PVODRYSSNZRWIR-LLVKDONJSA-N 1 1 185.311 1.901 10 30 ADEEMO CC(C)C[C@@H]([NH3+])c1nocc1C#N 259598100 573040478 /nfs/dbraw/zinc/04/04/78/573040478.db2.gz FENZWKNGUGYOKT-MRVPVSSYSA-N 1 1 179.223 1.592 10 30 ADEEMO N#C[C@@H]1CCCc2[nH+]ccn21 259599949 573040948 /nfs/dbraw/zinc/04/09/48/573040948.db2.gz CRMPPAQYWWEWAD-ZETCQYMHSA-N 1 1 147.181 1.284 10 30 ADEEMO C[NH2+][C@@H](c1ccc[nH]1)C1(C#N)CC1 259318572 573041230 /nfs/dbraw/zinc/04/12/30/573041230.db2.gz JOZVRHOICMPMJU-VIFPVBQESA-N 1 1 175.235 1.579 10 30 ADEEMO [NH3+][C@H](S)c1ccccc1F 259317852 573041512 /nfs/dbraw/zinc/04/15/12/573041512.db2.gz IPRKTOXMAODAJH-SSDOTTSWSA-N 1 1 157.213 1.713 10 30 ADEEMO C=CCCC[C@](C)([NH3+])C#N 104590396 573044726 /nfs/dbraw/zinc/04/47/26/573044726.db2.gz XOZIUOLIQLABAL-QMMMGPOBSA-N 1 1 138.214 1.584 10 30 ADEEMO N#C[C@H]1CCC[N@@H+](CCCF)C1 88025265 573043351 /nfs/dbraw/zinc/04/33/51/573043351.db2.gz AIDIRZHIVQQEEZ-SECBINFHSA-N 1 1 170.231 1.582 10 30 ADEEMO N#C[C@H]1CCC[N@H+](CCCF)C1 88025265 573043354 /nfs/dbraw/zinc/04/33/54/573043354.db2.gz AIDIRZHIVQQEEZ-SECBINFHSA-N 1 1 170.231 1.582 10 30 ADEEMO [NH3+][C@@H](S)c1ccccc1F 259317855 573043875 /nfs/dbraw/zinc/04/38/75/573043875.db2.gz IPRKTOXMAODAJH-ZETCQYMHSA-N 1 1 157.213 1.713 10 30 ADEEMO C=C[C@H](C)C[N@@H+](C)[C@@H]1CCOC1=O 308250395 573044072 /nfs/dbraw/zinc/04/40/72/573044072.db2.gz HDIGKSSUHQZZLV-DTWKUNHWSA-N 1 1 183.251 1.056 10 30 ADEEMO C=CCCC[C@@](C)([NH3+])C#N 104590393 573044961 /nfs/dbraw/zinc/04/49/61/573044961.db2.gz XOZIUOLIQLABAL-MRVPVSSYSA-N 1 1 138.214 1.584 10 30 ADEEMO C[N@H+]1CCC(C)(C)C[C@H](C#N)C1 259598968 573045120 /nfs/dbraw/zinc/04/51/20/573045120.db2.gz LYGNMGRIYZOKNL-SECBINFHSA-N 1 1 166.268 1.878 10 30 ADEEMO C=CCC[C@@](C)([NH3+])C#N 104590384 573045478 /nfs/dbraw/zinc/04/54/78/573045478.db2.gz BCIGBUKPYGIICO-SSDOTTSWSA-N 1 1 124.187 1.194 10 30 ADEEMO C=CC[N@@H+](CC)C[C@@H](F)C(=O)OC 308247633 573045749 /nfs/dbraw/zinc/04/57/49/573045749.db2.gz XXOORUQCZSBEGD-MRVPVSSYSA-N 1 1 189.230 1.005 10 30 ADEEMO C=CC[N@H+](CC)C[C@@H](F)C(=O)OC 308247633 573045761 /nfs/dbraw/zinc/04/57/61/573045761.db2.gz XXOORUQCZSBEGD-MRVPVSSYSA-N 1 1 189.230 1.005 10 30 ADEEMO CC[N@H+]1CCC2=CC(=O)CC[C@H]2C1 238258839 573045820 /nfs/dbraw/zinc/04/58/20/573045820.db2.gz FGKWAYAJQMDUHZ-JTQLQIEISA-N 1 1 179.263 1.618 10 30 ADEEMO CC[N@H+]1CCC2=CC(=O)CC[C@@H]2C1 238258823 573046043 /nfs/dbraw/zinc/04/60/43/573046043.db2.gz FGKWAYAJQMDUHZ-SNVBAGLBSA-N 1 1 179.263 1.618 10 30 ADEEMO C=CCC[C@](C)([NH3+])C#N 104590389 573046281 /nfs/dbraw/zinc/04/62/81/573046281.db2.gz BCIGBUKPYGIICO-ZETCQYMHSA-N 1 1 124.187 1.194 10 30 ADEEMO C=CC[NH2+][C@H]1CC[N@H+](CC)[C@H](C)C1 308234200 573046305 /nfs/dbraw/zinc/04/63/05/573046305.db2.gz QDAUBTZHLZEOHK-MNOVXSKESA-N 1 1 182.311 1.635 10 30 ADEEMO C=CC[NH2+][C@H]1CCN(CC)[C@H](C)C1 308234200 573046314 /nfs/dbraw/zinc/04/63/14/573046314.db2.gz QDAUBTZHLZEOHK-MNOVXSKESA-N 1 1 182.311 1.635 10 30 ADEEMO C=C[C@@H](C)C[N@@H+](C)[C@H]1CCOC1=O 308250391 573046391 /nfs/dbraw/zinc/04/63/91/573046391.db2.gz HDIGKSSUHQZZLV-BDAKNGLRSA-N 1 1 183.251 1.056 10 30 ADEEMO N#C[C@@H]1CCC[N@@H+](CCCF)C1 88025266 573046451 /nfs/dbraw/zinc/04/64/51/573046451.db2.gz AIDIRZHIVQQEEZ-VIFPVBQESA-N 1 1 170.231 1.582 10 30 ADEEMO N#C[C@@H]1CCC[N@H+](CCCF)C1 88025266 573046467 /nfs/dbraw/zinc/04/64/67/573046467.db2.gz AIDIRZHIVQQEEZ-VIFPVBQESA-N 1 1 170.231 1.582 10 30 ADEEMO C=CC[NH2+][C@@H]1CC[N@H+](CC)[C@@H](C)C1 308234202 573047095 /nfs/dbraw/zinc/04/70/95/573047095.db2.gz QDAUBTZHLZEOHK-WDEREUQCSA-N 1 1 182.311 1.635 10 30 ADEEMO C=CC[NH2+][C@@H]1CCN(CC)[C@@H](C)C1 308234202 573047102 /nfs/dbraw/zinc/04/71/02/573047102.db2.gz QDAUBTZHLZEOHK-WDEREUQCSA-N 1 1 182.311 1.635 10 30 ADEEMO C[NH2+][C@H](c1ccc[nH]1)C1(C#N)CC1 259318570 573047126 /nfs/dbraw/zinc/04/71/26/573047126.db2.gz JOZVRHOICMPMJU-SECBINFHSA-N 1 1 175.235 1.579 10 30 ADEEMO CCCC[N@H+](C)CC(=O)CC#N 259317661 573047483 /nfs/dbraw/zinc/04/74/83/573047483.db2.gz VUWBCGHRSMBEOF-UHFFFAOYSA-N 1 1 168.240 1.201 10 30 ADEEMO CCCC[N@@H+](C)CC(=O)CC#N 259317661 573047489 /nfs/dbraw/zinc/04/74/89/573047489.db2.gz VUWBCGHRSMBEOF-UHFFFAOYSA-N 1 1 168.240 1.201 10 30 ADEEMO C[N@H+]1CCC(C)(C)C[C@@H](C#N)C1 259598971 573048171 /nfs/dbraw/zinc/04/81/71/573048171.db2.gz LYGNMGRIYZOKNL-VIFPVBQESA-N 1 1 166.268 1.878 10 30 ADEEMO CCCCCO[NH+]=C(N)CCOC 308247522 573048188 /nfs/dbraw/zinc/04/81/88/573048188.db2.gz XSETWKRMGSLZCR-UHFFFAOYSA-N 1 1 188.271 1.502 10 30 ADEEMO C=C(Cl)C[NH2+]Cc1ncccc1O 308247565 573048572 /nfs/dbraw/zinc/04/85/72/573048572.db2.gz XUCXMCCLIQXORS-UHFFFAOYSA-N 1 1 198.653 1.629 10 30 ADEEMO C=CC[C@H](C)[N@@H+]1CC[C@@](C)(N)C1 642826912 573048851 /nfs/dbraw/zinc/04/88/51/573048851.db2.gz NUXAFXKYJINIJO-VHSXEESVSA-N 1 1 168.284 1.374 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@@](C)(N)C1 642826912 573048854 /nfs/dbraw/zinc/04/88/54/573048854.db2.gz NUXAFXKYJINIJO-VHSXEESVSA-N 1 1 168.284 1.374 10 30 ADEEMO C=CC[N@H+](CC)CCC(=O)NCC 308248094 573048859 /nfs/dbraw/zinc/04/88/59/573048859.db2.gz YUIYBGOOXCMHAS-UHFFFAOYSA-N 1 1 184.283 1.021 10 30 ADEEMO C[C@@H]1CCC[N@@H+](CCC[C@H]2CO2)C1 308249028 573053116 /nfs/dbraw/zinc/05/31/16/573053116.db2.gz DJPCLXMYAWQALO-MNOVXSKESA-N 1 1 183.295 1.897 10 30 ADEEMO C#CC[N@@H+](CC)CCC(=O)C(C)C 308249566 573053428 /nfs/dbraw/zinc/05/34/28/573053428.db2.gz AJWVACNGCFTXTD-UHFFFAOYSA-N 1 1 181.279 1.557 10 30 ADEEMO C[C@H]1CCC[N@@H+](CCC[C@H]2CO2)C1 308249029 573053237 /nfs/dbraw/zinc/05/32/37/573053237.db2.gz DJPCLXMYAWQALO-QWRGUYRKSA-N 1 1 183.295 1.897 10 30 ADEEMO C[C@H]1CCC[N@@H+](CCC[C@@H]2CO2)C1 308249032 573053323 /nfs/dbraw/zinc/05/33/23/573053323.db2.gz DJPCLXMYAWQALO-WDEREUQCSA-N 1 1 183.295 1.897 10 30 ADEEMO C#CCN(CC)C[C@](C)(CC)C[NH3+] 128516929 573054563 /nfs/dbraw/zinc/05/45/63/573054563.db2.gz RFQYLCOKKJBFDY-LLVKDONJSA-N 1 1 182.311 1.317 10 30 ADEEMO C#CCN(CC)C[C@@](C)(CC)C[NH3+] 128516721 573056695 /nfs/dbraw/zinc/05/66/95/573056695.db2.gz RFQYLCOKKJBFDY-NSHDSACASA-N 1 1 182.311 1.317 10 30 ADEEMO COCCC(N)=[NH+]OCCC(C)C 308487591 573056811 /nfs/dbraw/zinc/05/68/11/573056811.db2.gz PUBNLZBFNGMLBZ-UHFFFAOYSA-N 1 1 188.271 1.358 10 30 ADEEMO CC#CCCCC[N@@H+]1CCN[C@@H](C)C1 308492383 573057181 /nfs/dbraw/zinc/05/71/81/573057181.db2.gz CCIMDJCARPXSTN-LBPRGKRZSA-N 1 1 194.322 1.474 10 30 ADEEMO CC#CCCCC[N@H+]1CCN[C@@H](C)C1 308492383 573057186 /nfs/dbraw/zinc/05/71/86/573057186.db2.gz CCIMDJCARPXSTN-LBPRGKRZSA-N 1 1 194.322 1.474 10 30 ADEEMO N#C[C@]1([NH3+])CCC2CC1C2 104598143 573057223 /nfs/dbraw/zinc/05/72/23/573057223.db2.gz BPGMKCPKZQEBBG-KAVNDROISA-N 1 1 136.198 1.027 10 30 ADEEMO C[C@@H](CC#N)N1CC[N@@H+](C)C(C)(C)C1 82478142 573058901 /nfs/dbraw/zinc/05/89/01/573058901.db2.gz NBCDSLXGSUDUHL-JTQLQIEISA-N 1 1 195.310 1.315 10 30 ADEEMO CC[N@H+]1CCN(C[C@@H](C)C#N)C[C@@H]1C 82478114 573058983 /nfs/dbraw/zinc/05/89/83/573058983.db2.gz SQEYQFGEYRTCOS-QWRGUYRKSA-N 1 1 195.310 1.172 10 30 ADEEMO C=C(C)C[N@H+](CC)[C@@H](C)C[N+](=O)[O-] 308240890 573059131 /nfs/dbraw/zinc/05/91/31/573059131.db2.gz SQGUJWANORHQJU-VIFPVBQESA-N 1 1 186.255 1.550 10 30 ADEEMO C[C@H](CC#N)N1CC[N@@H+](C)C(C)(C)C1 82478143 573059399 /nfs/dbraw/zinc/05/93/99/573059399.db2.gz NBCDSLXGSUDUHL-SNVBAGLBSA-N 1 1 195.310 1.315 10 30 ADEEMO CC[C@@H]1CN([C@@H](C)CC#N)CC[N@H+]1C 82478129 573060389 /nfs/dbraw/zinc/06/03/89/573060389.db2.gz ZQHABUSLZHRLAS-WDEREUQCSA-N 1 1 195.310 1.315 10 30 ADEEMO CC#CCCCC[N@@H+]1CCN[C@H](C)C1 308492381 573060245 /nfs/dbraw/zinc/06/02/45/573060245.db2.gz CCIMDJCARPXSTN-GFCCVEGCSA-N 1 1 194.322 1.474 10 30 ADEEMO CC#CCCCC[N@H+]1CCN[C@H](C)C1 308492381 573060252 /nfs/dbraw/zinc/06/02/52/573060252.db2.gz CCIMDJCARPXSTN-GFCCVEGCSA-N 1 1 194.322 1.474 10 30 ADEEMO C[C@H]([NH3+])C1CCN(C[C@@H](C)C#N)CC1 82475087 573060645 /nfs/dbraw/zinc/06/06/45/573060645.db2.gz LPKSVTAVHLFPMR-UWVGGRQHSA-N 1 1 195.310 1.205 10 30 ADEEMO C[C@H]([NH3+])C1CCN([C@H](C)CC#N)CC1 82475101 573060766 /nfs/dbraw/zinc/06/07/66/573060766.db2.gz GOTHGXWMEQSDRT-ZJUUUORDSA-N 1 1 195.310 1.348 10 30 ADEEMO CC(C)[N@@H+](C)C[C@H](O)CC(C)(C)C#N 308487479 573060750 /nfs/dbraw/zinc/06/07/50/573060750.db2.gz OCXQODQTPSKJOH-SNVBAGLBSA-N 1 1 198.310 1.627 10 30 ADEEMO C[C@@H](CC#N)N1CCC([C@@H](C)[NH3+])CC1 82475098 573060781 /nfs/dbraw/zinc/06/07/81/573060781.db2.gz GOTHGXWMEQSDRT-VHSXEESVSA-N 1 1 195.310 1.348 10 30 ADEEMO CC[C@@H](C#N)N1CC[N@@H+](C)C(C)(C)C1 82478131 573060792 /nfs/dbraw/zinc/06/07/92/573060792.db2.gz DSRXJGPCYLAGRO-JTQLQIEISA-N 1 1 195.310 1.315 10 30 ADEEMO CC[C@@H](CC#N)N1CC[N@@H+](C)[C@H](C)C1 82478098 573060921 /nfs/dbraw/zinc/06/09/21/573060921.db2.gz HPNBMXDTOVSPJN-MNOVXSKESA-N 1 1 195.310 1.315 10 30 ADEEMO C=CCN([NH2+]CCC)[C@@H]1CCOC1 308244400 573060988 /nfs/dbraw/zinc/06/09/88/573060988.db2.gz UNBPGYNRQROEFI-SNVBAGLBSA-N 1 1 184.283 1.178 10 30 ADEEMO CC[C@@H](C#N)N1CC[N@@H+](CC)[C@H](C)C1 82478108 573061840 /nfs/dbraw/zinc/06/18/40/573061840.db2.gz UXXQJMCFOZWSBB-MNOVXSKESA-N 1 1 195.310 1.315 10 30 ADEEMO CC[C@H]1CN([C@@H](C)CC#N)CC[N@H+]1C 82478130 573062001 /nfs/dbraw/zinc/06/20/01/573062001.db2.gz ZQHABUSLZHRLAS-QWRGUYRKSA-N 1 1 195.310 1.315 10 30 ADEEMO C=CC[N@H+](CC)CC1(CC)COC1 308243960 573062603 /nfs/dbraw/zinc/06/26/03/573062603.db2.gz UBNBQZCFAKDRMX-UHFFFAOYSA-N 1 1 183.295 1.921 10 30 ADEEMO CC[C@H](F)CO[NH+]=C(N)CCOC 308244840 573062191 /nfs/dbraw/zinc/06/21/91/573062191.db2.gz UUEYXTCBXJWWHA-ZETCQYMHSA-N 1 1 192.234 1.060 10 30 ADEEMO C[C@H](C#N)CN1CCC([C@@H](C)[NH3+])CC1 82475084 573062297 /nfs/dbraw/zinc/06/22/97/573062297.db2.gz LPKSVTAVHLFPMR-NXEZZACHSA-N 1 1 195.310 1.205 10 30 ADEEMO C=CC[N@@H+](C/C=C/CCC)CCO 308243991 573062278 /nfs/dbraw/zinc/06/22/78/573062278.db2.gz UDCBNKUDZXGYSW-VOTSOKGWSA-N 1 1 183.295 1.823 10 30 ADEEMO C[C@@H](C#N)CN1CCC([C@@H](C)[NH3+])CC1 82475085 573062311 /nfs/dbraw/zinc/06/23/11/573062311.db2.gz LPKSVTAVHLFPMR-VHSXEESVSA-N 1 1 195.310 1.205 10 30 ADEEMO CC[C@@H](F)CO[NH+]=C(N)CCOC 308244839 573062502 /nfs/dbraw/zinc/06/25/02/573062502.db2.gz UUEYXTCBXJWWHA-SSDOTTSWSA-N 1 1 192.234 1.060 10 30 ADEEMO C[C@@H]([NH3+])C1CCN([C@H](C)CC#N)CC1 82475099 573062815 /nfs/dbraw/zinc/06/28/15/573062815.db2.gz GOTHGXWMEQSDRT-NXEZZACHSA-N 1 1 195.310 1.348 10 30 ADEEMO C=C[C@@H](C)C[N@@H+](C)[C@@H]1CCOC1=O 308250403 573063735 /nfs/dbraw/zinc/06/37/35/573063735.db2.gz HDIGKSSUHQZZLV-RKDXNWHRSA-N 1 1 183.251 1.056 10 30 ADEEMO CC[C@H](C#N)N1CC[N@@H+](C)C(C)(C)C1 82478132 573064968 /nfs/dbraw/zinc/06/49/68/573064968.db2.gz DSRXJGPCYLAGRO-SNVBAGLBSA-N 1 1 195.310 1.315 10 30 ADEEMO C=CC[C@@H]([NH3+])c1nnc(C2CC2)o1 308242703 573064154 /nfs/dbraw/zinc/06/41/54/573064154.db2.gz ZPEVWLXZMRQPSW-SSDOTTSWSA-N 1 1 179.223 1.523 10 30 ADEEMO CC[C@@H](C#N)N1CC[N@@H+](C)[C@@H](CC)C1 82478117 573064223 /nfs/dbraw/zinc/06/42/23/573064223.db2.gz LYUFFFQVSCQPGT-QWRGUYRKSA-N 1 1 195.310 1.315 10 30 ADEEMO C=C(C[N@@H+]1CCO[C@@H](CC)C1)OC 308244756 573064320 /nfs/dbraw/zinc/06/43/20/573064320.db2.gz UPTCTSMFOYAVLT-JTQLQIEISA-N 1 1 185.267 1.257 10 30 ADEEMO C=C(C[N@H+]1CCO[C@@H](CC)C1)OC 308244756 573064327 /nfs/dbraw/zinc/06/43/27/573064327.db2.gz UPTCTSMFOYAVLT-JTQLQIEISA-N 1 1 185.267 1.257 10 30 ADEEMO C=CCCC[N@H+](C)Cc1cnc(N)o1 308494231 573065007 /nfs/dbraw/zinc/06/50/07/573065007.db2.gz CRYBXYSBKLSHKM-UHFFFAOYSA-N 1 1 195.266 1.655 10 30 ADEEMO C=CCN([NH2+]CCC)[C@H]1CCOC1 308244399 573065137 /nfs/dbraw/zinc/06/51/37/573065137.db2.gz UNBPGYNRQROEFI-JTQLQIEISA-N 1 1 184.283 1.178 10 30 ADEEMO CC[C@@H]1CN(C[C@@H](C)C#N)CC[N@H+]1C 82478127 573065197 /nfs/dbraw/zinc/06/51/97/573065197.db2.gz ZTFNKQJZXNJEFQ-WDEREUQCSA-N 1 1 195.310 1.172 10 30 ADEEMO C#CC[NH2+][C@@H](CN)C(C(C)C)C(C)C 308495008 573065552 /nfs/dbraw/zinc/06/55/52/573065552.db2.gz SMNAUOWMUMIBLM-NSHDSACASA-N 1 1 196.338 1.465 10 30 ADEEMO C[C@H](C#N)CN1CC[N@@H+](C)C(C)(C)C1 82478138 573066083 /nfs/dbraw/zinc/06/60/83/573066083.db2.gz UXSSKVUICXUGEB-SNVBAGLBSA-N 1 1 195.310 1.172 10 30 ADEEMO C[C@@H](C#N)CN1CC[N@@H+](C)C(C)(C)C1 82478139 573065997 /nfs/dbraw/zinc/06/59/97/573065997.db2.gz UXSSKVUICXUGEB-JTQLQIEISA-N 1 1 195.310 1.172 10 30 ADEEMO CC[C@H]1CC[N@H+]1CCO[C@@H](C)C#N 308244932 573066440 /nfs/dbraw/zinc/06/64/40/573066440.db2.gz UWNGMNUJGQRCHV-UWVGGRQHSA-N 1 1 182.267 1.399 10 30 ADEEMO C=CC[N@@H+](CCC[NH+](C)C)C1CC1 308494882 573066985 /nfs/dbraw/zinc/06/69/85/573066985.db2.gz SYNMCMVDZXAKHK-UHFFFAOYSA-N 1 1 182.311 1.589 10 30 ADEEMO C=CC[N@H+](CCC[NH+](C)C)C1CC1 308494882 573066988 /nfs/dbraw/zinc/06/69/88/573066988.db2.gz SYNMCMVDZXAKHK-UHFFFAOYSA-N 1 1 182.311 1.589 10 30 ADEEMO C=CC[N@@H+](CCCN(C)C)C1CC1 308494882 573066993 /nfs/dbraw/zinc/06/69/93/573066993.db2.gz SYNMCMVDZXAKHK-UHFFFAOYSA-N 1 1 182.311 1.589 10 30 ADEEMO C=CC[N@H+](CCCN(C)C)C1CC1 308494882 573066999 /nfs/dbraw/zinc/06/69/99/573066999.db2.gz SYNMCMVDZXAKHK-UHFFFAOYSA-N 1 1 182.311 1.589 10 30 ADEEMO C=CC[C@H](C)[NH2+]Cc1ncccc1O 308494362 573067346 /nfs/dbraw/zinc/06/73/46/573067346.db2.gz BHNGGKYUKWYGBE-VIFPVBQESA-N 1 1 192.262 1.841 10 30 ADEEMO CC[C@@H]1CC[N@H+]1CCO[C@@H](C)C#N 308244933 573067615 /nfs/dbraw/zinc/06/76/15/573067615.db2.gz UWNGMNUJGQRCHV-VHSXEESVSA-N 1 1 182.267 1.399 10 30 ADEEMO C#CC[NH2+][C@H](CN)C(C(C)C)C(C)C 308495007 573067465 /nfs/dbraw/zinc/06/74/65/573067465.db2.gz SMNAUOWMUMIBLM-LLVKDONJSA-N 1 1 196.338 1.465 10 30 ADEEMO CC[C@@H]1CC[N@H+]1CCO[C@H](C)C#N 308244931 573070536 /nfs/dbraw/zinc/07/05/36/573070536.db2.gz UWNGMNUJGQRCHV-NXEZZACHSA-N 1 1 182.267 1.399 10 30 ADEEMO CC[C@H]1CC[N@H+]1CCO[C@H](C)C#N 308244934 573070056 /nfs/dbraw/zinc/07/00/56/573070056.db2.gz UWNGMNUJGQRCHV-ZJUUUORDSA-N 1 1 182.267 1.399 10 30 ADEEMO C[C@@H]1CCC[N@@H+](C[C@@H]2CO2)CC1 82489325 573070073 /nfs/dbraw/zinc/07/00/73/573070073.db2.gz DNWKVZXXERYWHC-NXEZZACHSA-N 1 1 169.268 1.507 10 30 ADEEMO C=CCC[N@H+](C)C1CCC(O)CC1 308489934 573070246 /nfs/dbraw/zinc/07/02/46/573070246.db2.gz QQDDAQBACABYQQ-UHFFFAOYSA-N 1 1 183.295 1.798 10 30 ADEEMO C[C@H]1CCC[N@@H+](C[C@@H]2CO2)CC1 82489326 573071900 /nfs/dbraw/zinc/07/19/00/573071900.db2.gz DNWKVZXXERYWHC-VHSXEESVSA-N 1 1 169.268 1.507 10 30 ADEEMO CC#Cc1nnc([C@H]([NH3+])[C@H](C)CC)o1 238268913 573071902 /nfs/dbraw/zinc/07/19/02/573071902.db2.gz QYTBPLXRXONUHG-VXNVDRBHSA-N 1 1 193.250 1.487 10 30 ADEEMO C[C@H]1CCC[N@H+]([C@@H](C)/C(N)=N/O)CC1 82489479 573071297 /nfs/dbraw/zinc/07/12/97/573071297.db2.gz VCTYTRMVEDQSQL-IUCAKERBSA-N 1 1 199.298 1.243 10 30 ADEEMO C[N@@H+](CC=NO)CCOC(C)(C)C 714626465 573071669 /nfs/dbraw/zinc/07/16/69/573071669.db2.gz ZNDBQVZEAKDALS-UHFFFAOYSA-N 1 1 188.271 1.193 10 30 ADEEMO C[N@H+](CC=NO)CCOC(C)(C)C 714626465 573071673 /nfs/dbraw/zinc/07/16/73/573071673.db2.gz ZNDBQVZEAKDALS-UHFFFAOYSA-N 1 1 188.271 1.193 10 30 ADEEMO CCC[C@H](C)[N@@H+](CCO)CCC#N 308247377 573071853 /nfs/dbraw/zinc/07/18/53/573071853.db2.gz XLBHOACGAABAPZ-JTQLQIEISA-N 1 1 184.283 1.383 10 30 ADEEMO C[C@@H]1CCC[N@@H+](CC=O)CC1 82489647 573072745 /nfs/dbraw/zinc/07/27/45/573072745.db2.gz HFPZZDRWTKKOLV-SECBINFHSA-N 1 1 155.241 1.307 10 30 ADEEMO C[C@H]1CCC[N@@H+](CCC=O)CC1 82489653 573072902 /nfs/dbraw/zinc/07/29/02/573072902.db2.gz JYCDDBMDWHXHAU-JTQLQIEISA-N 1 1 169.268 1.697 10 30 ADEEMO C[C@@H]1CCC[N@@H+](CC/C(N)=N/O)CC1 82489459 573073305 /nfs/dbraw/zinc/07/33/05/573073305.db2.gz AMUTZKGJQRVZJO-SECBINFHSA-N 1 1 199.298 1.245 10 30 ADEEMO C[C@@H]1CCC[N@@H+](CCC=O)CC1 82489651 573074881 /nfs/dbraw/zinc/07/48/81/573074881.db2.gz JYCDDBMDWHXHAU-SNVBAGLBSA-N 1 1 169.268 1.697 10 30 ADEEMO C[NH+](C)[C@@H](C=O)c1ccccc1 114404868 573074328 /nfs/dbraw/zinc/07/43/28/573074328.db2.gz AOGFRXVTKLIGBI-JTQLQIEISA-N 1 1 163.220 1.488 10 30 ADEEMO C=C[C@H](C)[N@H+](C)CC(=O)NC(C)C 308253923 573074408 /nfs/dbraw/zinc/07/44/08/573074408.db2.gz JHRKIQRDFOSCDI-VIFPVBQESA-N 1 1 184.283 1.017 10 30 ADEEMO C[C@@H](CC#N)[NH2+]Cc1cccn1C 308253611 573074686 /nfs/dbraw/zinc/07/46/86/573074686.db2.gz JDTJDFLICSWZMA-VIFPVBQESA-N 1 1 177.251 1.417 10 30 ADEEMO C#C[C@H]([NH2+]C)c1ccc(OC)cc1F 88131329 573074896 /nfs/dbraw/zinc/07/48/96/573074896.db2.gz XBXGUSHSMQPXKH-NSHDSACASA-N 1 1 193.221 1.728 10 30 ADEEMO C[NH+](C)[C@H](C=O)c1ccccc1 114404870 573074905 /nfs/dbraw/zinc/07/49/05/573074905.db2.gz AOGFRXVTKLIGBI-SNVBAGLBSA-N 1 1 163.220 1.488 10 30 ADEEMO C[C@@H](/C(N)=N/O)[N@H+]1CCC[C@@H](C)CC1 82489477 573074972 /nfs/dbraw/zinc/07/49/72/573074972.db2.gz VCTYTRMVEDQSQL-BDAKNGLRSA-N 1 1 199.298 1.243 10 30 ADEEMO C[NH+]=Cc1ccccc1NC(=O)OC 114354983 573075207 /nfs/dbraw/zinc/07/52/07/573075207.db2.gz CSMZXFFZKBUQFO-YRNVUSSQSA-N 1 1 192.218 1.914 10 30 ADEEMO C[C@H](CC#N)[NH2+]Cc1cccn1C 308253609 573076158 /nfs/dbraw/zinc/07/61/58/573076158.db2.gz JDTJDFLICSWZMA-SECBINFHSA-N 1 1 177.251 1.417 10 30 ADEEMO C[NH+]=C(C)Nc1ccccn1 104619342 573076594 /nfs/dbraw/zinc/07/65/94/573076594.db2.gz HGUQVHYOYVXUIY-UHFFFAOYSA-N 1 1 149.197 1.351 10 30 ADEEMO C=C(C[N@@H+](C)C[C@@H]1CCOC1)OC 308251891 573077009 /nfs/dbraw/zinc/07/70/09/573077009.db2.gz GBBKTXPXPCMGBR-JTQLQIEISA-N 1 1 185.267 1.115 10 30 ADEEMO CC[C@@H]([NH3+])c1cc(C#N)cc(C)c1O 238270615 573077117 /nfs/dbraw/zinc/07/71/17/573077117.db2.gz HSNWZGJQAMVDFZ-SNVBAGLBSA-N 1 1 190.246 1.982 10 30 ADEEMO C=CCN(C)CC[C@@H]([NH3+])CCC 128678711 573087045 /nfs/dbraw/zinc/08/70/45/573087045.db2.gz ZYEDMWFVKFKTLA-JTQLQIEISA-N 1 1 170.300 1.622 10 30 ADEEMO C[C@H](CC#N)[N@@H+](C)CCC[C@@H]1CO1 308250799 573077940 /nfs/dbraw/zinc/07/79/40/573077940.db2.gz FKNJDZIWJYBOSE-NXEZZACHSA-N 1 1 182.267 1.399 10 30 ADEEMO C#CC[C@@H](C)[NH2+]Cc1n[nH]cc1C 308250981 573078139 /nfs/dbraw/zinc/07/81/39/573078139.db2.gz HHWQWHZXRHGCRO-SECBINFHSA-N 1 1 177.251 1.220 10 30 ADEEMO C[C@@H](CC#N)[N@@H+](C)CCC[C@@H]1CO1 308250801 573078547 /nfs/dbraw/zinc/07/85/47/573078547.db2.gz FKNJDZIWJYBOSE-VHSXEESVSA-N 1 1 182.267 1.399 10 30 ADEEMO CC[C@@]1(C)C[C@H](C=O)CC[N@H+]1C 238270399 573079381 /nfs/dbraw/zinc/07/93/81/573079381.db2.gz DPMFYRFSQMKLAO-ZJUUUORDSA-N 1 1 169.268 1.696 10 30 ADEEMO C[C@@H]1CCC[N@@H+](CC[C@H](N)C#N)CC1 82489944 573078621 /nfs/dbraw/zinc/07/86/21/573078621.db2.gz CPUJLJPGYSTWLG-MNOVXSKESA-N 1 1 195.310 1.349 10 30 ADEEMO C#CC[C@H](C)[NH2+]Cc1n[nH]cc1C 308250992 573079176 /nfs/dbraw/zinc/07/91/76/573079176.db2.gz HHWQWHZXRHGCRO-VIFPVBQESA-N 1 1 177.251 1.220 10 30 ADEEMO CC[C@@]1(C)C[C@@H](C=O)CC[N@H+]1C 238269718 573079732 /nfs/dbraw/zinc/07/97/32/573079732.db2.gz DPMFYRFSQMKLAO-UWVGGRQHSA-N 1 1 169.268 1.696 10 30 ADEEMO C[C@@H](CC#N)[N@@H+](C)CCC[C@H]1CO1 308250800 573080004 /nfs/dbraw/zinc/08/00/04/573080004.db2.gz FKNJDZIWJYBOSE-UWVGGRQHSA-N 1 1 182.267 1.399 10 30 ADEEMO C[N@@H+](CC=O)CC1CCCC1 82492558 573081936 /nfs/dbraw/zinc/08/19/36/573081936.db2.gz XHASLPYTCKQWON-UHFFFAOYSA-N 1 1 155.241 1.307 10 30 ADEEMO C[C@H]1C[NH+](CCCC#N)C[C@H](C)N1C 123580521 573082662 /nfs/dbraw/zinc/08/26/62/573082662.db2.gz UOIKIQMKISEUIG-QWRGUYRKSA-N 1 1 195.310 1.315 10 30 ADEEMO CC[NH+]=CNc1cccnc1 104623547 573082672 /nfs/dbraw/zinc/08/26/72/573082672.db2.gz SMHMHMJJFVHFQY-UHFFFAOYSA-N 1 1 149.197 1.351 10 30 ADEEMO N#CCC[NH2+]Cc1cc[nH]c1 85578928 573082705 /nfs/dbraw/zinc/08/27/05/573082705.db2.gz WOAPQCDGOHWJDK-UHFFFAOYSA-N 1 1 149.197 1.018 10 30 ADEEMO C=C(CC)C[N@H+]1CC[C@](C)(CO)C1 308253254 573085296 /nfs/dbraw/zinc/08/52/96/573085296.db2.gz CJVJEPKGNQOVOK-NSHDSACASA-N 1 1 183.295 1.657 10 30 ADEEMO CCn1cccc1C[NH2+]C[C@@H](C)C#N 85609524 573085782 /nfs/dbraw/zinc/08/57/82/573085782.db2.gz IQVXGDMTVLAJEG-JTQLQIEISA-N 1 1 191.278 1.757 10 30 ADEEMO C#CCN(CC)CC[C@H]([NH3+])CCC 128677958 573085910 /nfs/dbraw/zinc/08/59/10/573085910.db2.gz VFODUYVPBUHGMK-LLVKDONJSA-N 1 1 182.311 1.459 10 30 ADEEMO C=C(CC)C[N@H+]1CC[C@@](C)(CO)C1 308253252 573086063 /nfs/dbraw/zinc/08/60/63/573086063.db2.gz CJVJEPKGNQOVOK-LLVKDONJSA-N 1 1 183.295 1.657 10 30 ADEEMO C#CC[N@@H+](C[C@H]1CCOC1)C1CC1 308252160 573086170 /nfs/dbraw/zinc/08/61/70/573086170.db2.gz GFEBJTHBAGVSIT-SNVBAGLBSA-N 1 1 179.263 1.121 10 30 ADEEMO C#CC[N@@H+](C[C@@H]1CCOC1)C1CC1 308252159 573086565 /nfs/dbraw/zinc/08/65/65/573086565.db2.gz GFEBJTHBAGVSIT-JTQLQIEISA-N 1 1 179.263 1.121 10 30 ADEEMO C#CCN(CC)CC[C@@H]([NH3+])CCC 128677694 573086757 /nfs/dbraw/zinc/08/67/57/573086757.db2.gz VFODUYVPBUHGMK-NSHDSACASA-N 1 1 182.311 1.459 10 30 ADEEMO CCc1[nH+]ccn1CCC[C@@H]1CO1 308258729 573088774 /nfs/dbraw/zinc/08/87/74/573088774.db2.gz LFUCJDMTBMEHKB-SECBINFHSA-N 1 1 180.251 1.625 10 30 ADEEMO CCc1[nH+]ccn1CCC[C@H]1CO1 308258730 573088895 /nfs/dbraw/zinc/08/88/95/573088895.db2.gz LFUCJDMTBMEHKB-VIFPVBQESA-N 1 1 180.251 1.625 10 30 ADEEMO C[C@@H]1C[C@@H](C#N)[NH2+]C1(C)C 104625220 573088952 /nfs/dbraw/zinc/08/89/52/573088952.db2.gz KWVUMNQLQZMNLT-RQJHMYQMSA-N 1 1 138.214 1.287 10 30 ADEEMO Cn1ccc(C[NH2+]CCC#N)c1 85590303 573089202 /nfs/dbraw/zinc/08/92/02/573089202.db2.gz BTRRMSDLDRCKMH-UHFFFAOYSA-N 1 1 163.224 1.028 10 30 ADEEMO C#C[C@H](C)[N@H+](C)C[C@@H](O)CC(C)C 308258875 573089350 /nfs/dbraw/zinc/08/93/50/573089350.db2.gz MKHODDFFDOQDLD-QWRGUYRKSA-N 1 1 183.295 1.347 10 30 ADEEMO C=CCN(C)CC[C@H]([NH3+])CCC 128678951 573089504 /nfs/dbraw/zinc/08/95/04/573089504.db2.gz ZYEDMWFVKFKTLA-SNVBAGLBSA-N 1 1 170.300 1.622 10 30 ADEEMO C#C[C@@H](C)[N@H+](C)C[C@@H](O)CC(C)C 308258873 573090123 /nfs/dbraw/zinc/09/01/23/573090123.db2.gz MKHODDFFDOQDLD-MNOVXSKESA-N 1 1 183.295 1.347 10 30 ADEEMO C[N@@H+](CC=O)CCc1ccccc1 114589546 573090189 /nfs/dbraw/zinc/09/01/89/573090189.db2.gz BFPMABKRRDNEQN-UHFFFAOYSA-N 1 1 177.247 1.360 10 30 ADEEMO C#C[C@@H](C)[N@H+](C)C[C@H](O)CC(C)C 308258872 573090730 /nfs/dbraw/zinc/09/07/30/573090730.db2.gz MKHODDFFDOQDLD-GHMZBOCLSA-N 1 1 183.295 1.347 10 30 ADEEMO Cc1ncc(CN(C)CCC#N)[nH]1 308258383 573091674 /nfs/dbraw/zinc/09/16/74/573091674.db2.gz LBMBTBSSDZGBBT-UHFFFAOYSA-N 1 1 178.239 1.064 10 30 ADEEMO C[C@@H]1C[N@@H+](CCC=O)CCS1 123591203 573092086 /nfs/dbraw/zinc/09/20/86/573092086.db2.gz VTCJBBNRBXXXAR-MRVPVSSYSA-N 1 1 173.281 1.013 10 30 ADEEMO C#C[C@H](C)[N@H+](C)C[C@H](O)CC(C)C 308258877 573092150 /nfs/dbraw/zinc/09/21/50/573092150.db2.gz MKHODDFFDOQDLD-WDEREUQCSA-N 1 1 183.295 1.347 10 30 ADEEMO C#CC[NH2+][C@@H](c1nccs1)C1CC1 308258741 573092252 /nfs/dbraw/zinc/09/22/52/573092252.db2.gz LGJYLHCYNHKQNP-SECBINFHSA-N 1 1 192.287 1.817 10 30 ADEEMO CC#CCCCC[N@@H+](C)C[C@H](C)O 308259906 573093673 /nfs/dbraw/zinc/09/36/73/573093673.db2.gz MAZBPUDXJMKWJF-NSHDSACASA-N 1 1 183.295 1.493 10 30 ADEEMO C/C=C/C=[NH+]/[C@@H](CC)CO 238276725 573095630 /nfs/dbraw/zinc/09/56/30/573095630.db2.gz KCCKNJPKWYAPPR-CHHZTLGDSA-N 1 1 141.214 1.404 10 30 ADEEMO N#Cc1cccc2oc(C[NH3+])nc12 259778437 573095645 /nfs/dbraw/zinc/09/56/45/573095645.db2.gz MMURYBHDLSZYGR-UHFFFAOYSA-N 1 1 173.175 1.158 10 30 ADEEMO C#CC[NH+](CC#C)Cc1cc[nH]c1 308254965 573097057 /nfs/dbraw/zinc/09/70/57/573097057.db2.gz INJFLZYWYVSFSH-UHFFFAOYSA-N 1 1 172.231 1.083 10 30 ADEEMO CC[C@@H]([NH3+])c1cc(O)cc(C#N)c1O 238276256 573097455 /nfs/dbraw/zinc/09/74/55/573097455.db2.gz HBEFMEVOLLMZGI-SECBINFHSA-N 1 1 192.218 1.379 10 30 ADEEMO C=C[C@H](C)C[N@@H+](C)CCC1(O)CC1 308256283 573097550 /nfs/dbraw/zinc/09/75/50/573097550.db2.gz KTVGUDONJDCTSU-JTQLQIEISA-N 1 1 183.295 1.655 10 30 ADEEMO C=C[C@H](C)C[N@@H+](C)Cc1ncc[nH]1 308256016 573097832 /nfs/dbraw/zinc/09/78/32/573097832.db2.gz KPWIOEMHMOASGJ-VIFPVBQESA-N 1 1 179.267 1.664 10 30 ADEEMO C=C[C@@H](C)C[N@@H+](C)Cc1ncc[nH]1 308256015 573097932 /nfs/dbraw/zinc/09/79/32/573097932.db2.gz KPWIOEMHMOASGJ-SECBINFHSA-N 1 1 179.267 1.664 10 30 ADEEMO C=C[C@@H](C)C[N@@H+](C)CCC1(O)CC1 308256284 573098450 /nfs/dbraw/zinc/09/84/50/573098450.db2.gz KTVGUDONJDCTSU-SNVBAGLBSA-N 1 1 183.295 1.655 10 30 ADEEMO C[C@H](CC#N)[NH2+]Cc1ccn(C)c1 308255019 573098645 /nfs/dbraw/zinc/09/86/45/573098645.db2.gz KBOBZSGXXSDBTO-SECBINFHSA-N 1 1 177.251 1.417 10 30 ADEEMO N#C[C@]1([NH3+])C[C@@H]2CC[C@H]1C2 104634380 573098978 /nfs/dbraw/zinc/09/89/78/573098978.db2.gz FZMWVZHBJDWSKU-GJMOJQLCSA-N 1 1 136.198 1.027 10 30 ADEEMO C[C@@H](CC#N)[NH2+]Cc1ccn(C)c1 308255020 573099354 /nfs/dbraw/zinc/09/93/54/573099354.db2.gz KBOBZSGXXSDBTO-VIFPVBQESA-N 1 1 177.251 1.417 10 30 ADEEMO C#CC[NH2+]CC(C)(C)N1CCCC1 308256307 573099442 /nfs/dbraw/zinc/09/94/42/573099442.db2.gz KVCKHTQQMXHSIP-UHFFFAOYSA-N 1 1 180.295 1.084 10 30 ADEEMO COc1ccn2c(CC=O)[nH+]cc2c1 258478369 573099577 /nfs/dbraw/zinc/09/95/77/573099577.db2.gz IHRRCOSNJATZQH-UHFFFAOYSA-N 1 1 190.202 1.084 10 30 ADEEMO C=CC[N@H+](CC)[C@H]1CN(C)C[C@H]1C 308501492 573099670 /nfs/dbraw/zinc/09/96/70/573099670.db2.gz XBBMJODWEJZZHB-MNOVXSKESA-N 1 1 182.311 1.444 10 30 ADEEMO C=CCN(CC)[C@H]1C[N@H+](C)C[C@H]1C 308501492 573099676 /nfs/dbraw/zinc/09/96/76/573099676.db2.gz XBBMJODWEJZZHB-MNOVXSKESA-N 1 1 182.311 1.444 10 30 ADEEMO C=CCN(CC)[C@H]1C[N@@H+](C)C[C@H]1C 308501492 573099683 /nfs/dbraw/zinc/09/96/83/573099683.db2.gz XBBMJODWEJZZHB-MNOVXSKESA-N 1 1 182.311 1.444 10 30 ADEEMO C=CC[N@H+](CC)[C@@H]1CN(C)C[C@H]1C 308501491 573099992 /nfs/dbraw/zinc/09/99/92/573099992.db2.gz XBBMJODWEJZZHB-GHMZBOCLSA-N 1 1 182.311 1.444 10 30 ADEEMO C=CCN(CC)[C@@H]1C[N@H+](C)C[C@H]1C 308501491 573099998 /nfs/dbraw/zinc/09/99/98/573099998.db2.gz XBBMJODWEJZZHB-GHMZBOCLSA-N 1 1 182.311 1.444 10 30 ADEEMO C=CCN(CC)[C@@H]1C[N@@H+](C)C[C@H]1C 308501491 573100006 /nfs/dbraw/zinc/10/00/06/573100006.db2.gz XBBMJODWEJZZHB-GHMZBOCLSA-N 1 1 182.311 1.444 10 30 ADEEMO O=CCc1[nH+]cc2cc(Cl)ccn12 258478585 573100933 /nfs/dbraw/zinc/10/09/33/573100933.db2.gz IJCUUFVAEOPKCT-UHFFFAOYSA-N 1 1 194.621 1.729 10 30 ADEEMO C[C@H](S)[C@H]1CCC[N@@H+](C)C1 259328346 573101128 /nfs/dbraw/zinc/10/11/28/573101128.db2.gz SCHIHDZLICDPCC-YUMQZZPRSA-N 1 1 159.298 1.647 10 30 ADEEMO C[C@H](S)[C@@H]1CCC[N@@H+](C)C1 259328340 573101380 /nfs/dbraw/zinc/10/13/80/573101380.db2.gz SCHIHDZLICDPCC-JGVFFNPUSA-N 1 1 159.298 1.647 10 30 ADEEMO C=CCC[N@H+](C)[C@@H]1C[C@H](C)OC1=O 308257231 573101711 /nfs/dbraw/zinc/10/17/11/573101711.db2.gz LHUXIIUSTDYGBO-DTWKUNHWSA-N 1 1 183.251 1.198 10 30 ADEEMO C=C(CCO)C[C@H]1CC[N@H+](CC)C1 258232462 573102688 /nfs/dbraw/zinc/10/26/88/573102688.db2.gz PNAKGYYNBFQKGX-LLVKDONJSA-N 1 1 183.295 1.657 10 30 ADEEMO C=CC[N@H+](C)[C@@H](C)c1cnn(C)c1 308262258 573102898 /nfs/dbraw/zinc/10/28/98/573102898.db2.gz NVQRMSWQAVPUKH-VIFPVBQESA-N 1 1 179.267 1.599 10 30 ADEEMO C[C@@H](F)CCO[NH+]=C(N)CC1CC1 308257556 573104115 /nfs/dbraw/zinc/10/41/15/573104115.db2.gz LQSLBFYKGDLICQ-SSDOTTSWSA-N 1 1 188.246 1.823 10 30 ADEEMO CON=C[C@@H]1Cc2ccccc2C[NH2+]1 308256425 573104326 /nfs/dbraw/zinc/10/43/26/573104326.db2.gz MAQKIJMYGSIQST-NSHDSACASA-N 1 1 190.246 1.333 10 30 ADEEMO CON=C[C@H]1Cc2ccccc2C[NH2+]1 308256423 573104723 /nfs/dbraw/zinc/10/47/23/573104723.db2.gz MAQKIJMYGSIQST-LLVKDONJSA-N 1 1 190.246 1.333 10 30 ADEEMO C[C@@H](S)[C@@H]1CCC[N@@H+](C)C1 259328336 573104800 /nfs/dbraw/zinc/10/48/00/573104800.db2.gz SCHIHDZLICDPCC-HTQZYQBOSA-N 1 1 159.298 1.647 10 30 ADEEMO C=CCC[N@H+](C)[C@H]1C[C@H](C)OC1=O 308257232 573104987 /nfs/dbraw/zinc/10/49/87/573104987.db2.gz LHUXIIUSTDYGBO-IUCAKERBSA-N 1 1 183.251 1.198 10 30 ADEEMO C=CCN[C@@H](C[NH3+])C1(C(C)C)CCC1 686134179 573105168 /nfs/dbraw/zinc/10/51/68/573105168.db2.gz UUXUQCABOJPFQY-NSHDSACASA-N 1 1 196.338 1.916 10 30 ADEEMO C=CCC[N@H+](C)[C@@H]1C[C@@H](C)OC1=O 308257233 573105427 /nfs/dbraw/zinc/10/54/27/573105427.db2.gz LHUXIIUSTDYGBO-RKDXNWHRSA-N 1 1 183.251 1.198 10 30 ADEEMO C[C@@H](S)[C@H]1CCC[N@@H+](C)C1 259328343 573106376 /nfs/dbraw/zinc/10/63/76/573106376.db2.gz SCHIHDZLICDPCC-SFYZADRCSA-N 1 1 159.298 1.647 10 30 ADEEMO CC[C@@H]1[NH+]=C[C@@H](C)C[C@@H]1C=O 238285040 573106696 /nfs/dbraw/zinc/10/66/96/573106696.db2.gz LTQPRZVATOPGST-YIZRAAEISA-N 1 1 153.225 1.691 10 30 ADEEMO CCC(CC)C[N@@H+](C)[C@H](C)C=O 225119683 573107292 /nfs/dbraw/zinc/10/72/92/573107292.db2.gz UIWSBWFNNRHHIJ-SECBINFHSA-N 1 1 171.284 1.942 10 30 ADEEMO C=CCN[C@H](C[NH3+])C1(C(C)C)CCC1 686134178 573107355 /nfs/dbraw/zinc/10/73/55/573107355.db2.gz UUXUQCABOJPFQY-LLVKDONJSA-N 1 1 196.338 1.916 10 30 ADEEMO C#C[C@@H]([NH2+]Cc1cnns1)C(C)C 308263892 573107941 /nfs/dbraw/zinc/10/79/41/573107941.db2.gz OEMJBVUBZHPXBB-SECBINFHSA-N 1 1 195.291 1.286 10 30 ADEEMO N#C[C@H](C[NH3+])c1c[nH]c2ccccc12 258528849 573109382 /nfs/dbraw/zinc/10/93/82/573109382.db2.gz HAQLXTZJCOWCTI-QMMMGPOBSA-N 1 1 185.230 1.734 10 30 ADEEMO C=CCCC[N@H+](C)CCC1(O)CC1 308263728 573109860 /nfs/dbraw/zinc/10/98/60/573109860.db2.gz OCGNVEDPCPEWEW-UHFFFAOYSA-N 1 1 183.295 1.799 10 30 ADEEMO C=C1CCC[N@H+](CCC(=O)OC)C1 308263385 573110168 /nfs/dbraw/zinc/11/01/68/573110168.db2.gz NZSHZXDHPMZIJL-UHFFFAOYSA-N 1 1 183.251 1.202 10 30 ADEEMO C/N=C(\SC)[C@@H]1CC[N@@H+](C)C1 259332677 573110244 /nfs/dbraw/zinc/11/02/44/573110244.db2.gz UUZSHJMQTMILHW-HPWUZBQLSA-N 1 1 172.297 1.329 10 30 ADEEMO N#C[C@@H](C[NH3+])c1c[nH]c2ccccc12 258528845 573110573 /nfs/dbraw/zinc/11/05/73/573110573.db2.gz HAQLXTZJCOWCTI-MRVPVSSYSA-N 1 1 185.230 1.734 10 30 ADEEMO C[N@H+](CC=NO)CCc1ccccc1 714629115 573110580 /nfs/dbraw/zinc/11/05/80/573110580.db2.gz ACEKNLFQEOGELA-UHFFFAOYSA-N 1 1 192.262 1.621 10 30 ADEEMO C[N@H+]1CCC[C@@](C=O)(OC(C)(C)C)C1 258233279 573113032 /nfs/dbraw/zinc/11/30/32/573113032.db2.gz ZQPFDLPQLYYDNZ-LLVKDONJSA-N 1 1 199.294 1.465 10 30 ADEEMO CC#CCCCC[N@H+]1CC[C@H](O)C1 308261838 573114839 /nfs/dbraw/zinc/11/48/39/573114839.db2.gz MXVRBMCMTQPPRW-NSHDSACASA-N 1 1 181.279 1.247 10 30 ADEEMO N#CC1([C@@H]([NH3+])c2ccccc2)COC1 259330942 573115272 /nfs/dbraw/zinc/11/52/72/573115272.db2.gz JBLNCVVVCBDZLM-JTQLQIEISA-N 1 1 188.230 1.227 10 30 ADEEMO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[N@@H+](C)C[C@@H]1CO1 717138983 573115333 /nfs/dbraw/zinc/11/53/33/573115333.db2.gz UMBIUQXPVJNTPJ-PZWNZHSQSA-N 1 1 195.306 1.609 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CC[C@@H](OC(F)F)C1 308273757 573115352 /nfs/dbraw/zinc/11/53/52/573115352.db2.gz UEDAMBXZEALCRM-HTQZYQBOSA-N 1 1 191.221 1.874 10 30 ADEEMO CC(C)(C)C[C@](C)([NH3+])C#N 104648886 573121325 /nfs/dbraw/zinc/12/13/25/573121325.db2.gz NDXJZABKMSSMIR-QMMMGPOBSA-N 1 1 140.230 1.664 10 30 ADEEMO C=C[C@H](C)[N@H+]1CC[C@@H](OC(F)F)C1 308273758 573115944 /nfs/dbraw/zinc/11/59/44/573115944.db2.gz UEDAMBXZEALCRM-JGVFFNPUSA-N 1 1 191.221 1.874 10 30 ADEEMO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[N@@H+](C)C[C@H]1CO1 717138981 573116524 /nfs/dbraw/zinc/11/65/24/573116524.db2.gz UMBIUQXPVJNTPJ-LDMBFOFVSA-N 1 1 195.306 1.609 10 30 ADEEMO C#CC[N@@H+]1CC[C@@H](C(C)C)C1 157999526 573116633 /nfs/dbraw/zinc/11/66/33/573116633.db2.gz XZENTOZRWYLKGR-SNVBAGLBSA-N 1 1 151.253 1.598 10 30 ADEEMO C=C[C@H](C)[N@H+]1CC[C@H](OC(F)F)C1 308273760 573117024 /nfs/dbraw/zinc/11/70/24/573117024.db2.gz UEDAMBXZEALCRM-YUMQZZPRSA-N 1 1 191.221 1.874 10 30 ADEEMO C[N@H+]1CCC[C@](C=O)(OC(C)(C)C)C1 258233281 573117035 /nfs/dbraw/zinc/11/70/35/573117035.db2.gz ZQPFDLPQLYYDNZ-NSHDSACASA-N 1 1 199.294 1.465 10 30 ADEEMO CCC[C@@H]1CC[N@@H+](C[C@H]2CO2)C1 252856029 573117382 /nfs/dbraw/zinc/11/73/82/573117382.db2.gz KOCXZBYXKDLFCC-ZJUUUORDSA-N 1 1 169.268 1.507 10 30 ADEEMO CCC[C@H]1CC[N@@H+](C[C@H]2CO2)C1 252856028 573118213 /nfs/dbraw/zinc/11/82/13/573118213.db2.gz KOCXZBYXKDLFCC-UWVGGRQHSA-N 1 1 169.268 1.507 10 30 ADEEMO C=CCC[C@@H](C)[NH2+]CC(=O)OC 131910947 573118229 /nfs/dbraw/zinc/11/82/29/573118229.db2.gz KTMFPQVTBPXRCE-MRVPVSSYSA-N 1 1 171.240 1.104 10 30 ADEEMO C[Si](C)(C)C#C[C@@H]1[NH2+]CCS1 197992479 573118348 /nfs/dbraw/zinc/11/83/48/573118348.db2.gz VKHCIVMPZGLHPT-MRVPVSSYSA-N 1 1 185.368 1.530 10 30 ADEEMO CC(C)C[N@H+](C)CC(=O)CC#N 259331225 573118912 /nfs/dbraw/zinc/11/89/12/573118912.db2.gz XATBGVXROGIBLC-UHFFFAOYSA-N 1 1 168.240 1.057 10 30 ADEEMO CC(C)C[N@@H+](C)CC(=O)CC#N 259331225 573118917 /nfs/dbraw/zinc/11/89/17/573118917.db2.gz XATBGVXROGIBLC-UHFFFAOYSA-N 1 1 168.240 1.057 10 30 ADEEMO C[Si](C)(C)C#C[C@H]1[NH2+]CCS1 197992484 573119113 /nfs/dbraw/zinc/11/91/13/573119113.db2.gz VKHCIVMPZGLHPT-QMMMGPOBSA-N 1 1 185.368 1.530 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CC[C@H](OC(F)F)C1 308273759 573119598 /nfs/dbraw/zinc/11/95/98/573119598.db2.gz UEDAMBXZEALCRM-SFYZADRCSA-N 1 1 191.221 1.874 10 30 ADEEMO CC[C@@H]([NH3+])c1occc1C#N 238287663 573119794 /nfs/dbraw/zinc/11/97/94/573119794.db2.gz NDTPOMYDCWSQSX-SSDOTTSWSA-N 1 1 150.181 1.561 10 30 ADEEMO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C[N@@H+](C)C[C@@H]1CO1 717138975 573120214 /nfs/dbraw/zinc/12/02/14/573120214.db2.gz UMBIUQXPVJNTPJ-JCIQBVFBSA-N 1 1 195.306 1.609 10 30 ADEEMO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[N@@H+](C)C[C@@H]1CO1 717138950 573120290 /nfs/dbraw/zinc/12/02/90/573120290.db2.gz UMBIUQXPVJNTPJ-CSYMLDBXSA-N 1 1 195.306 1.609 10 30 ADEEMO C=CC[N@H+](C)[C@H](C)c1cnn(C)c1 308262257 573120339 /nfs/dbraw/zinc/12/03/39/573120339.db2.gz NVQRMSWQAVPUKH-SECBINFHSA-N 1 1 179.267 1.599 10 30 ADEEMO C=CCN(C)CC(C)(C)C[NH2+]CC 131956659 573120414 /nfs/dbraw/zinc/12/04/14/573120414.db2.gz LBEWRMJTIOFJRD-UHFFFAOYSA-N 1 1 184.327 1.740 10 30 ADEEMO N#CC1([C@H]([NH3+])c2ccccc2)COC1 259330946 573120747 /nfs/dbraw/zinc/12/07/47/573120747.db2.gz JBLNCVVVCBDZLM-SNVBAGLBSA-N 1 1 188.230 1.227 10 30 ADEEMO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C[N@@H+](C)C[C@@H]1CO1 717138982 573120826 /nfs/dbraw/zinc/12/08/26/573120826.db2.gz UMBIUQXPVJNTPJ-LVEVGFFFSA-N 1 1 195.306 1.609 10 30 ADEEMO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[N@@H+](C)C[C@H]1CO1 717138990 573120876 /nfs/dbraw/zinc/12/08/76/573120876.db2.gz UMBIUQXPVJNTPJ-WTPMCQDGSA-N 1 1 195.306 1.609 10 30 ADEEMO C/C=N/C[C@@H]1CCC[C@H]1[NH3+] 104647987 573122080 /nfs/dbraw/zinc/12/20/80/573122080.db2.gz XNGZCYFBDWLSKS-YZSIDRRYSA-N 1 1 140.230 1.205 10 30 ADEEMO CC1(C)[C@@H](C#N)CC[N@H+]1C1CC1 259335878 573123258 /nfs/dbraw/zinc/12/32/58/573123258.db2.gz JCLKWRSSBHPISA-MRVPVSSYSA-N 1 1 164.252 1.773 10 30 ADEEMO C=CCN(C)Cc1ccc(C[NH3+])cn1 131956884 573123740 /nfs/dbraw/zinc/12/37/40/573123740.db2.gz VYBPEWGHAZFSML-UHFFFAOYSA-N 1 1 191.278 1.158 10 30 ADEEMO CCc1ccc(N)cc1[C@@H]([NH3+])CC#N 238280435 573123837 /nfs/dbraw/zinc/12/38/37/573123837.db2.gz AYIFHTTWRAJESB-NSHDSACASA-N 1 1 189.262 1.745 10 30 ADEEMO CC[C@H](C#N)[C@@H]([NH2+]C)c1cccnc1 259335315 573124097 /nfs/dbraw/zinc/12/40/97/573124097.db2.gz SDMGIHYAQHNMCE-MWLCHTKSSA-N 1 1 189.262 1.892 10 30 ADEEMO CCc1ccc(N)cc1[C@H]([NH3+])CC#N 238280877 573124186 /nfs/dbraw/zinc/12/41/86/573124186.db2.gz AYIFHTTWRAJESB-LLVKDONJSA-N 1 1 189.262 1.745 10 30 ADEEMO C=CC[N@@H+]1CCC[C@@H](CO)C1(C)C 259335593 573124308 /nfs/dbraw/zinc/12/43/08/573124308.db2.gz JACKFYUDORWCPD-JTQLQIEISA-N 1 1 183.295 1.655 10 30 ADEEMO CC(C)[NH+]1CC(C(F)(F)C=O)C1 257949338 573124974 /nfs/dbraw/zinc/12/49/74/573124974.db2.gz VZUGOMDWENOXJP-UHFFFAOYSA-N 1 1 177.194 1.161 10 30 ADEEMO C=CC[N@@H+]1CCC[C@H](CO)C1(C)C 259335598 573125226 /nfs/dbraw/zinc/12/52/26/573125226.db2.gz JACKFYUDORWCPD-SNVBAGLBSA-N 1 1 183.295 1.655 10 30 ADEEMO CC[N@H+]1CC[C@@H](C(F)(F)C=O)C1 257950528 573125772 /nfs/dbraw/zinc/12/57/72/573125772.db2.gz WDJIESDJAHFXMH-SSDOTTSWSA-N 1 1 177.194 1.162 10 30 ADEEMO CC[C@H](C#N)[C@H]([NH2+]C)c1cccnc1 259335313 573125810 /nfs/dbraw/zinc/12/58/10/573125810.db2.gz SDMGIHYAQHNMCE-KOLCDFICSA-N 1 1 189.262 1.892 10 30 ADEEMO C=C[C@@H](C)C[N@H+](C)CCCN(C)C 308272561 573126050 /nfs/dbraw/zinc/12/60/50/573126050.db2.gz SVFMJGJBUMRIKJ-LLVKDONJSA-N 1 1 184.327 1.692 10 30 ADEEMO C=C[C@@H](C)C[N@@H+](C)CCCN(C)C 308272561 573126055 /nfs/dbraw/zinc/12/60/55/573126055.db2.gz SVFMJGJBUMRIKJ-LLVKDONJSA-N 1 1 184.327 1.692 10 30 ADEEMO C=CCC[C@@H](C)[NH2+]CC(=O)OCC 131967602 573128254 /nfs/dbraw/zinc/12/82/54/573128254.db2.gz DYGWLWUOQHMFNN-SECBINFHSA-N 1 1 185.267 1.494 10 30 ADEEMO CC1(C)[C@H](C#N)CC[N@H+]1C1CC1 259335881 573126145 /nfs/dbraw/zinc/12/61/45/573126145.db2.gz JCLKWRSSBHPISA-QMMMGPOBSA-N 1 1 164.252 1.773 10 30 ADEEMO NC(CC/[NH+]=C\c1ccccc1)=NO 308272340 573126434 /nfs/dbraw/zinc/12/64/34/573126434.db2.gz DKWMVXMVNNFNBO-WQLSENKSSA-N 1 1 191.234 1.242 10 30 ADEEMO C=C[C@H](C)C[N@@H+](C)CCC(C)(C)O 308272567 573126663 /nfs/dbraw/zinc/12/66/63/573126663.db2.gz SVSMOLYMKAVCAW-JTQLQIEISA-N 1 1 185.311 1.901 10 30 ADEEMO CC[C@@H](C#N)[C@H]([NH2+]C)c1cccnc1 259335317 573126720 /nfs/dbraw/zinc/12/67/20/573126720.db2.gz SDMGIHYAQHNMCE-ONGXEEELSA-N 1 1 189.262 1.892 10 30 ADEEMO CC[N@H+]1CC[C@H](C(F)(F)C=O)C1 257950530 573126915 /nfs/dbraw/zinc/12/69/15/573126915.db2.gz WDJIESDJAHFXMH-ZETCQYMHSA-N 1 1 177.194 1.162 10 30 ADEEMO C=C[C@H](C)C[N@H+](C)CCCN(C)C 308272562 573127187 /nfs/dbraw/zinc/12/71/87/573127187.db2.gz SVFMJGJBUMRIKJ-NSHDSACASA-N 1 1 184.327 1.692 10 30 ADEEMO C=C[C@H](C)C[N@@H+](C)CCCN(C)C 308272562 573127191 /nfs/dbraw/zinc/12/71/91/573127191.db2.gz SVFMJGJBUMRIKJ-NSHDSACASA-N 1 1 184.327 1.692 10 30 ADEEMO C=CCN(C)C[C@H](C)C[NH2+]C(C)C 131972344 573127245 /nfs/dbraw/zinc/12/72/45/573127245.db2.gz NAHVETDOXPEOKD-LLVKDONJSA-N 1 1 184.327 1.738 10 30 ADEEMO N#CC1([NH3+])CCC(F)CC1 258532592 573127480 /nfs/dbraw/zinc/12/74/80/573127480.db2.gz NKTGUUQHHHJBGO-UHFFFAOYSA-N 1 1 142.177 1.120 10 30 ADEEMO C=CCN(C)C[C@H](C)C[NH2+]C1CC1 131978244 573127704 /nfs/dbraw/zinc/12/77/04/573127704.db2.gz OXHLNOMPHMTKOW-SNVBAGLBSA-N 1 1 182.311 1.492 10 30 ADEEMO C[N@@H+]1CC=C(CCC=O)CC1 257950222 573127831 /nfs/dbraw/zinc/12/78/31/573127831.db2.gz FBRDTLQQRQTMGF-UHFFFAOYSA-N 1 1 153.225 1.227 10 30 ADEEMO C=CCN(C)[C@H](C)CC[NH2+]C1CC1 131979367 573127992 /nfs/dbraw/zinc/12/79/92/573127992.db2.gz YQDLAINQLVKOJN-SNVBAGLBSA-N 1 1 182.311 1.635 10 30 ADEEMO C=CCN(C)[C@@H]1CC[C@@H]1C[NH2+]C(C)C 131961565 573128095 /nfs/dbraw/zinc/12/80/95/573128095.db2.gz HDQNNPIVTZTZEE-VXGBXAGGSA-N 1 1 196.338 1.881 10 30 ADEEMO CC[C@@H](C#N)[C@@H]([NH2+]C)c1cccnc1 259335309 573128807 /nfs/dbraw/zinc/12/88/07/573128807.db2.gz SDMGIHYAQHNMCE-GXSJLCMTSA-N 1 1 189.262 1.892 10 30 ADEEMO C=C[C@H](C)C[N@H+](C)CCC(=O)OC 308272850 573129061 /nfs/dbraw/zinc/12/90/61/573129061.db2.gz TVSCOFMBYCBWJE-VIFPVBQESA-N 1 1 185.267 1.303 10 30 ADEEMO C=CCN(C)C[C@@H](C)C[NH2+]C(C)C 131972545 573129207 /nfs/dbraw/zinc/12/92/07/573129207.db2.gz NAHVETDOXPEOKD-NSHDSACASA-N 1 1 184.327 1.738 10 30 ADEEMO C=CCN(C)[C@H]1CC[C@@H]1C[NH2+]C(C)C 131961155 573129235 /nfs/dbraw/zinc/12/92/35/573129235.db2.gz HDQNNPIVTZTZEE-NEPJUHHUSA-N 1 1 196.338 1.881 10 30 ADEEMO CCC[C@H]1C[C@@H](C=O)[N@@H+](C)C1 238281356 573129244 /nfs/dbraw/zinc/12/92/44/573129244.db2.gz CGERCLMZASQRAV-IUCAKERBSA-N 1 1 155.241 1.306 10 30 ADEEMO C=CCN(C)[C@@H]1CC[C@H]1C[NH2+]C(C)C 131961342 573129427 /nfs/dbraw/zinc/12/94/27/573129427.db2.gz HDQNNPIVTZTZEE-NWDGAFQWSA-N 1 1 196.338 1.881 10 30 ADEEMO CC[C@@H](CCC#N)[NH+]1CCOCC1 259601575 573129540 /nfs/dbraw/zinc/12/95/40/573129540.db2.gz FIGGGBLBCPBILM-JTQLQIEISA-N 1 1 182.267 1.401 10 30 ADEEMO C=CCN(C)CC(C)(C)C[NH2+]C1CC1 131970602 573129993 /nfs/dbraw/zinc/12/99/93/573129993.db2.gz BJNPYDOJSJJUPV-UHFFFAOYSA-N 1 1 196.338 1.882 10 30 ADEEMO C=C[C@@H](C)C[N@H+](C)CCC(=O)OC 308272848 573130110 /nfs/dbraw/zinc/13/01/10/573130110.db2.gz TVSCOFMBYCBWJE-SECBINFHSA-N 1 1 185.267 1.303 10 30 ADEEMO C=CCC[C@H](C)[NH2+]C[C@@H]1CCN(C)C1 131968285 573131325 /nfs/dbraw/zinc/13/13/25/573131325.db2.gz POOQCCKGPYNMBM-RYUDHWBXSA-N 1 1 196.338 1.882 10 30 ADEEMO C=CCN(C)Cc1ccoc1C[NH3+] 131965758 573130852 /nfs/dbraw/zinc/13/08/52/573130852.db2.gz VFSZUABOPWNDPG-UHFFFAOYSA-N 1 1 180.251 1.356 10 30 ADEEMO C=CCN(C)[C@H](C)CC[NH2+]C 131974764 573130960 /nfs/dbraw/zinc/13/09/60/573130960.db2.gz YKOICJKPUDUSSA-SECBINFHSA-N 1 1 156.273 1.102 10 30 ADEEMO C=C[C@@H](C)C[N@@H+](C)CCC(C)(C)O 308272568 573131113 /nfs/dbraw/zinc/13/11/13/573131113.db2.gz SVSMOLYMKAVCAW-SNVBAGLBSA-N 1 1 185.311 1.901 10 30 ADEEMO C=CCN(C)C[C@@H](C)C[NH2+]C1CC1 131978053 573131836 /nfs/dbraw/zinc/13/18/36/573131836.db2.gz OXHLNOMPHMTKOW-JTQLQIEISA-N 1 1 182.311 1.492 10 30 ADEEMO COCC[N@H+]1C[C@@H](C#N)CCC1(C)C 259338902 573131937 /nfs/dbraw/zinc/13/19/37/573131937.db2.gz JFVQRVPFAAHYAX-SNVBAGLBSA-N 1 1 196.294 1.647 10 30 ADEEMO C=CCN(C)[C@H]1CC[C@H]1C[NH2+]C(C)C 131960951 573132102 /nfs/dbraw/zinc/13/21/02/573132102.db2.gz HDQNNPIVTZTZEE-RYUDHWBXSA-N 1 1 196.338 1.881 10 30 ADEEMO C=CCC[C@H](C)[NH2+]CC(=O)OCC 131967402 573132305 /nfs/dbraw/zinc/13/23/05/573132305.db2.gz DYGWLWUOQHMFNN-VIFPVBQESA-N 1 1 185.267 1.494 10 30 ADEEMO C=CCC[C@@H](C)[NH2+]C[C@@H]1CCN(C)C1 131968496 573132705 /nfs/dbraw/zinc/13/27/05/573132705.db2.gz POOQCCKGPYNMBM-NEPJUHHUSA-N 1 1 196.338 1.882 10 30 ADEEMO C=CCN(C)Cc1cc(C[NH3+])c(C)o1 131980645 573132751 /nfs/dbraw/zinc/13/27/51/573132751.db2.gz DPSCFVSZPLELLE-UHFFFAOYSA-N 1 1 194.278 1.665 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)CC1(C(F)F)CC1 308277590 573133047 /nfs/dbraw/zinc/13/30/47/573133047.db2.gz VSNZKHPTHGPMST-QMMMGPOBSA-N 1 1 187.233 1.985 10 30 ADEEMO COCC[N@H+]1C[C@H](C#N)CCC1(C)C 259338898 573133378 /nfs/dbraw/zinc/13/33/78/573133378.db2.gz JFVQRVPFAAHYAX-JTQLQIEISA-N 1 1 196.294 1.647 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)CC1(C(F)F)CC1 308277586 573133887 /nfs/dbraw/zinc/13/38/87/573133887.db2.gz VSNZKHPTHGPMST-MRVPVSSYSA-N 1 1 187.233 1.985 10 30 ADEEMO C=CCN(C)[C@H]1CC[C@@H]1C[NH2+]CCC 131987578 573135542 /nfs/dbraw/zinc/13/55/42/573135542.db2.gz RFSWZTBFRAVUJA-NEPJUHHUSA-N 1 1 196.338 1.882 10 30 ADEEMO C=C[C@H](C)C[N@@H+](C)Cc1c[nH]cn1 308277991 573135582 /nfs/dbraw/zinc/13/55/82/573135582.db2.gz VVYOYROGMRNDRN-VIFPVBQESA-N 1 1 179.267 1.664 10 30 ADEEMO C=CCN(C)[C@@H]1CC[C@H]1C[NH2+]CC 131995735 573135600 /nfs/dbraw/zinc/13/56/00/573135600.db2.gz SLOAFTXBFPCCHG-WDEREUQCSA-N 1 1 182.311 1.492 10 30 ADEEMO C=CCN(C)C[C@@H](C)C[NH2+]CCC 131996552 573135870 /nfs/dbraw/zinc/13/58/70/573135870.db2.gz RIBFHKHGLZTGDT-NSHDSACASA-N 1 1 184.327 1.740 10 30 ADEEMO C=CCN(C)[C@H](C)CC[NH2+]C(C)C 131997413 573136000 /nfs/dbraw/zinc/13/60/00/573136000.db2.gz NADJEHDCPXUFIR-LLVKDONJSA-N 1 1 184.327 1.881 10 30 ADEEMO C=CCN(C)[C@@H](C)[C@H](C)C[NH2+]C 131986138 573136026 /nfs/dbraw/zinc/13/60/26/573136026.db2.gz GNGZDJSHZYPNRS-ZJUUUORDSA-N 1 1 170.300 1.348 10 30 ADEEMO Cc1ccc([C@@H]([NH3+])CC#N)cn1 104662754 573136086 /nfs/dbraw/zinc/13/60/86/573136086.db2.gz DUDAPHLCCFMXGH-VIFPVBQESA-N 1 1 161.208 1.304 10 30 ADEEMO C=CCN(C)CC(C)(C)C[NH2+]C 131984436 573136168 /nfs/dbraw/zinc/13/61/68/573136168.db2.gz FPNFBXLWETXGDC-UHFFFAOYSA-N 1 1 170.300 1.350 10 30 ADEEMO C#CC[C@@H]([NH3+])C(C)(C)N1CCCCC1 85741477 573136320 /nfs/dbraw/zinc/13/63/20/573136320.db2.gz BFOSVXOQDWNTCX-LLVKDONJSA-N 1 1 194.322 1.602 10 30 ADEEMO C=CCN(C)[C@H]1CC[C@H]1C[NH2+]CC 131995357 573136367 /nfs/dbraw/zinc/13/63/67/573136367.db2.gz SLOAFTXBFPCCHG-QWRGUYRKSA-N 1 1 182.311 1.492 10 30 ADEEMO C=C[C@@H](C)C[N@@H+](C)Cc1c[nH]cn1 308277990 573136524 /nfs/dbraw/zinc/13/65/24/573136524.db2.gz VVYOYROGMRNDRN-SECBINFHSA-N 1 1 179.267 1.664 10 30 ADEEMO C#CCC[N@H+](C)[C@H](CO)CC(C)C 308278999 573136558 /nfs/dbraw/zinc/13/65/58/573136558.db2.gz WFBFROUNQMJVPD-NSHDSACASA-N 1 1 183.295 1.349 10 30 ADEEMO C=CCN(C)[C@H]1CC[C@@H]1C[NH2+]C 131988381 573136585 /nfs/dbraw/zinc/13/65/85/573136585.db2.gz RGMULFUHUFRNFI-ZJUUUORDSA-N 1 1 168.284 1.102 10 30 ADEEMO C#CCC[N@H+](C)[C@@H](CO)CC(C)C 308278998 573136712 /nfs/dbraw/zinc/13/67/12/573136712.db2.gz WFBFROUNQMJVPD-LLVKDONJSA-N 1 1 183.295 1.349 10 30 ADEEMO N#CC[C@H]([NH3+])c1csc(CO)c1 104660640 573136765 /nfs/dbraw/zinc/13/67/65/573136765.db2.gz XPQHTUSSOJLVHM-QMMMGPOBSA-N 1 1 182.248 1.154 10 30 ADEEMO C=CCN(C)[C@@H](C)CC[NH2+]C(C)C 131997587 573136997 /nfs/dbraw/zinc/13/69/97/573136997.db2.gz NADJEHDCPXUFIR-NSHDSACASA-N 1 1 184.327 1.881 10 30 ADEEMO C=CCN(C)[C@H](C)CC[NH2+]CCC 131981573 573137093 /nfs/dbraw/zinc/13/70/93/573137093.db2.gz CVMLYXGZVPEPKB-LLVKDONJSA-N 1 1 184.327 1.882 10 30 ADEEMO C=CCN(C)[C@H]1CC[C@@H]1C[NH2+]CC 131995539 573137201 /nfs/dbraw/zinc/13/72/01/573137201.db2.gz SLOAFTXBFPCCHG-MNOVXSKESA-N 1 1 182.311 1.492 10 30 ADEEMO CCc1ccncc1[C@H]([NH3+])CC#N 104659494 573137521 /nfs/dbraw/zinc/13/75/21/573137521.db2.gz QDFNDXYZBIKLBR-SNVBAGLBSA-N 1 1 175.235 1.557 10 30 ADEEMO C=CCO[C@H]1CC[N@H+]([C@@H](C)C=C)C1 308281305 573137951 /nfs/dbraw/zinc/13/79/51/573137951.db2.gz XBGKLIZVQGAKTB-QWRGUYRKSA-N 1 1 181.279 1.838 10 30 ADEEMO C=CC[N@@H+]1CC[C@@H](C#N)C1(C)C 259341851 573137976 /nfs/dbraw/zinc/13/79/76/573137976.db2.gz JHFLEHYVDAMTEA-VIFPVBQESA-N 1 1 164.252 1.796 10 30 ADEEMO C[N@H+]1CCC[C@H](C2(CC#N)COC2)C1 259341907 573138264 /nfs/dbraw/zinc/13/82/64/573138264.db2.gz SXZILKFWCKEILO-JTQLQIEISA-N 1 1 194.278 1.258 10 30 ADEEMO C=CCO[C@@H]1CC[N@H+]([C@H](C)C=C)C1 308281303 573138610 /nfs/dbraw/zinc/13/86/10/573138610.db2.gz XBGKLIZVQGAKTB-GHMZBOCLSA-N 1 1 181.279 1.838 10 30 ADEEMO C#C[C@@H](NCC)C(C)(C)[NH+]1CCCC1 85740871 573138710 /nfs/dbraw/zinc/13/87/10/573138710.db2.gz GATBIVWHOQRUTC-LLVKDONJSA-N 1 1 194.322 1.472 10 30 ADEEMO C=CCN(C)[C@@H]1CC[C@@H]1C[NH2+]CCC 131987952 573138876 /nfs/dbraw/zinc/13/88/76/573138876.db2.gz RFSWZTBFRAVUJA-VXGBXAGGSA-N 1 1 196.338 1.882 10 30 ADEEMO C=CCN(C)C[C@H](C)C[NH2+]CCC 131996334 573138960 /nfs/dbraw/zinc/13/89/60/573138960.db2.gz RIBFHKHGLZTGDT-LLVKDONJSA-N 1 1 184.327 1.740 10 30 ADEEMO C=CCN(C)[C@H](C)[C@@H](C)C[NH2+]C 131985523 573138979 /nfs/dbraw/zinc/13/89/79/573138979.db2.gz GNGZDJSHZYPNRS-VHSXEESVSA-N 1 1 170.300 1.348 10 30 ADEEMO C=C(C[N@H+]1CCO[C@H](CC)C1)OC 308244757 573139349 /nfs/dbraw/zinc/13/93/49/573139349.db2.gz UPTCTSMFOYAVLT-SNVBAGLBSA-N 1 1 185.267 1.257 10 30 ADEEMO C=C(C[N@@H+]1CCO[C@H](CC)C1)OC 308244757 573139346 /nfs/dbraw/zinc/13/93/46/573139346.db2.gz UPTCTSMFOYAVLT-SNVBAGLBSA-N 1 1 185.267 1.257 10 30 ADEEMO C=CCO[C@H]1CC[N@H+]([C@H](C)C=C)C1 308281304 573139454 /nfs/dbraw/zinc/13/94/54/573139454.db2.gz XBGKLIZVQGAKTB-MNOVXSKESA-N 1 1 181.279 1.838 10 30 ADEEMO C[N@H+]1CCC[C@@H](C2(CC#N)COC2)C1 259341915 573139537 /nfs/dbraw/zinc/13/95/37/573139537.db2.gz SXZILKFWCKEILO-SNVBAGLBSA-N 1 1 194.278 1.258 10 30 ADEEMO C=CCO[C@@H]1CC[N@H+]([C@@H](C)C=C)C1 308281307 573139664 /nfs/dbraw/zinc/13/96/64/573139664.db2.gz XBGKLIZVQGAKTB-WDEREUQCSA-N 1 1 181.279 1.838 10 30 ADEEMO C[N@@H+](CCCS)C(C)(C)CO 128915779 573139895 /nfs/dbraw/zinc/13/98/95/573139895.db2.gz QWGGOSBDCNYUPC-UHFFFAOYSA-N 1 1 177.313 1.009 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCC[C@H](C(C)=O)C1 82644519 573140195 /nfs/dbraw/zinc/14/01/95/573140195.db2.gz PANSVJYHWCSACM-ONGXEEELSA-N 1 1 181.279 1.862 10 30 ADEEMO Cc1cc([C@@H]([NH3+])CC#N)ccn1 104662333 573140536 /nfs/dbraw/zinc/14/05/36/573140536.db2.gz FCNPEBSFKHBUSJ-VIFPVBQESA-N 1 1 161.208 1.304 10 30 ADEEMO C=CC[N@@H+]1CC[C@H](C#N)C1(C)C 259341843 573142484 /nfs/dbraw/zinc/14/24/84/573142484.db2.gz JHFLEHYVDAMTEA-SECBINFHSA-N 1 1 164.252 1.796 10 30 ADEEMO COCCC(N)=[NH+]OCC[C@@H](C)F 308503002 573144773 /nfs/dbraw/zinc/14/47/73/573144773.db2.gz XVBSRCINWUDUBF-SSDOTTSWSA-N 1 1 192.234 1.060 10 30 ADEEMO CSCC[N@H+](CCC#N)C(C)C 128923036 573145449 /nfs/dbraw/zinc/14/54/49/573145449.db2.gz LPSVGECVGBEESA-UHFFFAOYSA-N 1 1 186.324 1.973 10 30 ADEEMO CSCC[N@@H+](CCC#N)C(C)C 128923036 573145455 /nfs/dbraw/zinc/14/54/55/573145455.db2.gz LPSVGECVGBEESA-UHFFFAOYSA-N 1 1 186.324 1.973 10 30 ADEEMO C[N@@H+](CCCCS)C(C)(C)CO 128915505 573145535 /nfs/dbraw/zinc/14/55/35/573145535.db2.gz CIRUJZWGSHWLIW-UHFFFAOYSA-N 1 1 191.340 1.399 10 30 ADEEMO C=CCC[N@H+]1[C@H](C)CCC[C@@H]1CO 308289029 573147092 /nfs/dbraw/zinc/14/70/92/573147092.db2.gz FWHKXLDYKBMXCY-GHMZBOCLSA-N 1 1 183.295 1.798 10 30 ADEEMO C=CC[C@@H](CC)[NH2+][C@H]1CCOC1=O 308288490 573148748 /nfs/dbraw/zinc/14/87/48/573148748.db2.gz FQMQFLXITHNUHW-BDAKNGLRSA-N 1 1 183.251 1.246 10 30 ADEEMO C#CC[N@@H+](CC)CCC(=O)C1CC1 308289028 573148875 /nfs/dbraw/zinc/14/88/75/573148875.db2.gz FWHBNQWXEWYSHI-UHFFFAOYSA-N 1 1 179.263 1.311 10 30 ADEEMO C=CCC[N@H+]1[C@@H](C)CCC[C@H]1CO 308289031 573148972 /nfs/dbraw/zinc/14/89/72/573148972.db2.gz FWHKXLDYKBMXCY-QWRGUYRKSA-N 1 1 183.295 1.798 10 30 ADEEMO C=CC[C@H](CC)[NH2+][C@H]1CCOC1=O 308288492 573148985 /nfs/dbraw/zinc/14/89/85/573148985.db2.gz FQMQFLXITHNUHW-IUCAKERBSA-N 1 1 183.251 1.246 10 30 ADEEMO C#C[C@](C)(CO)[N@@H+](C)C(C)(C)C 238292299 573149292 /nfs/dbraw/zinc/14/92/92/573149292.db2.gz RTUNFEFBGGLOPQ-SNVBAGLBSA-N 1 1 169.268 1.101 10 30 ADEEMO C=CC[NH2+]Cc1ncc(COC)s1 308504458 573149685 /nfs/dbraw/zinc/14/96/85/573149685.db2.gz YMJQABSJZCUPEQ-UHFFFAOYSA-N 1 1 198.291 1.565 10 30 ADEEMO C=CCC[N@@H+]1[C@H](CO)CCC[C@H]1C 308289030 573149852 /nfs/dbraw/zinc/14/98/52/573149852.db2.gz FWHKXLDYKBMXCY-MNOVXSKESA-N 1 1 183.295 1.798 10 30 ADEEMO N#CC[C@@H]([NH3+])c1cnc2cc[nH]c2c1 89221493 573149926 /nfs/dbraw/zinc/14/99/26/573149926.db2.gz RQPYZRZUDDMVPK-MRVPVSSYSA-N 1 1 186.218 1.476 10 30 ADEEMO C=CC[N@H+](CC(=C)C)[C@H]1CCOC1 308274870 573150031 /nfs/dbraw/zinc/15/00/31/573150031.db2.gz UZLHAQSHTACIBD-NSHDSACASA-N 1 1 181.279 1.839 10 30 ADEEMO C[N@H+]1CCC[C@]1(C=O)c1ccccc1 238292801 573150210 /nfs/dbraw/zinc/15/02/10/573150210.db2.gz AQXZOZRPGKQTAI-LBPRGKRZSA-N 1 1 189.258 1.806 10 30 ADEEMO Cc1[nH]c(=O)ccc1[C@@H]([NH3+])CC#N 104667763 573152236 /nfs/dbraw/zinc/15/22/36/573152236.db2.gz VQZWEASJONOTNV-QMMMGPOBSA-N 1 1 177.207 1.009 10 30 ADEEMO N#Cc1cnc(C[NH2+]C2CC2)s1 259930248 573152439 /nfs/dbraw/zinc/15/24/39/573152439.db2.gz DANZWMVFYFJLKO-UHFFFAOYSA-N 1 1 179.248 1.267 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCC[C@H](COC)C1 308282626 573152717 /nfs/dbraw/zinc/15/27/17/573152717.db2.gz YMQSVEZEZCKLJH-MNOVXSKESA-N 1 1 183.295 1.919 10 30 ADEEMO C=CC[N@H+](C)CCN(C)CC(F)F 308506480 573153019 /nfs/dbraw/zinc/15/30/19/573153019.db2.gz ZIMUJHLDGZHDBN-UHFFFAOYSA-N 1 1 192.253 1.301 10 30 ADEEMO Cc1cc([C@@H]([NH3+])CC#N)cnc1F 104668502 573153028 /nfs/dbraw/zinc/15/30/28/573153028.db2.gz AGDUJWYVNIVZAS-QMMMGPOBSA-N 1 1 179.198 1.443 10 30 ADEEMO Cc1cncc([C@@H]([NH3+])CC#N)c1 104669013 573153042 /nfs/dbraw/zinc/15/30/42/573153042.db2.gz UMRMKHUPVHFLGZ-VIFPVBQESA-N 1 1 161.208 1.304 10 30 ADEEMO COCCC(N)=[NH+]OCCCCF 308505680 573153409 /nfs/dbraw/zinc/15/34/09/573153409.db2.gz ZDCDNZFJFAFNCO-UHFFFAOYSA-N 1 1 192.234 1.061 10 30 ADEEMO Cc1nc(F)ccc1[C@@H]([NH3+])CC#N 104666272 573153590 /nfs/dbraw/zinc/15/35/90/573153590.db2.gz MOOUJPNNMJMUBE-QMMMGPOBSA-N 1 1 179.198 1.443 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCC[C@H](COC)C1 308282629 573153632 /nfs/dbraw/zinc/15/36/32/573153632.db2.gz YMQSVEZEZCKLJH-QWRGUYRKSA-N 1 1 183.295 1.919 10 30 ADEEMO C#C[C@H](C)[NH2+]C(C)(C)c1nccs1 235502849 573153658 /nfs/dbraw/zinc/15/36/58/573153658.db2.gz NGERLYCICKLCSU-QMMMGPOBSA-N 1 1 194.303 1.990 10 30 ADEEMO C[N@H+]1CCC(C)(C)[C@@H](C#N)C1 259348598 573153915 /nfs/dbraw/zinc/15/39/15/573153915.db2.gz SXFXSWORYRBBRX-QMMMGPOBSA-N 1 1 152.241 1.488 10 30 ADEEMO C=CC[N@@H+](C[C@H](C)N)[C@@H](C)C(C)C 308505865 573154009 /nfs/dbraw/zinc/15/40/09/573154009.db2.gz IOLATMDGIUANQD-QWRGUYRKSA-N 1 1 184.327 1.866 10 30 ADEEMO C=CCN(C[C@H](C)[NH3+])[C@@H](C)C(C)C 308505865 573154015 /nfs/dbraw/zinc/15/40/15/573154015.db2.gz IOLATMDGIUANQD-QWRGUYRKSA-N 1 1 184.327 1.866 10 30 ADEEMO N#CC[C@H]([NH3+])c1ccnc(F)c1 104666098 573154033 /nfs/dbraw/zinc/15/40/33/573154033.db2.gz KFDILNBSTUOXDH-ZETCQYMHSA-N 1 1 165.171 1.134 10 30 ADEEMO C#C[C@H](C)[NH2+]C[C@H](C#N)CCC#N 308284500 573154515 /nfs/dbraw/zinc/15/45/15/573154515.db2.gz YIPKFIRFLPTIFN-UWVGGRQHSA-N 1 1 175.235 1.041 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCC[C@@H](COC)C1 308282625 573154699 /nfs/dbraw/zinc/15/46/99/573154699.db2.gz YMQSVEZEZCKLJH-GHMZBOCLSA-N 1 1 183.295 1.919 10 30 ADEEMO C#C[C@H](C)[NH2+]C[C@@H](C#N)CCC#N 308284504 573154994 /nfs/dbraw/zinc/15/49/94/573154994.db2.gz YIPKFIRFLPTIFN-VHSXEESVSA-N 1 1 175.235 1.041 10 30 ADEEMO C#C[C@H]([NH2+]Cc1ncc[nH]1)C(C)(C)C 308505995 573155358 /nfs/dbraw/zinc/15/53/58/573155358.db2.gz IRVNXSSHVLKSAY-VIFPVBQESA-N 1 1 191.278 1.547 10 30 ADEEMO CN(C)C=[NH+]c1ncc2[nH]ccc2n1 89223689 573155403 /nfs/dbraw/zinc/15/54/03/573155403.db2.gz PVKUFVZYVRHBCW-WUXMJOGZSA-N 1 1 189.222 1.179 10 30 ADEEMO C=CC[N@@H+](C[C@@H](C)N)[C@H](C)C(C)C 308505861 573156018 /nfs/dbraw/zinc/15/60/18/573156018.db2.gz IOLATMDGIUANQD-GHMZBOCLSA-N 1 1 184.327 1.866 10 30 ADEEMO C=CCN(C[C@@H](C)[NH3+])[C@H](C)C(C)C 308505861 573156026 /nfs/dbraw/zinc/15/60/26/573156026.db2.gz IOLATMDGIUANQD-GHMZBOCLSA-N 1 1 184.327 1.866 10 30 ADEEMO C=CC[N@@H+](C[C@@H](C)N)[C@@H](C)C(C)C 308505863 573156125 /nfs/dbraw/zinc/15/61/25/573156125.db2.gz IOLATMDGIUANQD-MNOVXSKESA-N 1 1 184.327 1.866 10 30 ADEEMO C=CCN(C[C@@H](C)[NH3+])[C@@H](C)C(C)C 308505863 573156132 /nfs/dbraw/zinc/15/61/32/573156132.db2.gz IOLATMDGIUANQD-MNOVXSKESA-N 1 1 184.327 1.866 10 30 ADEEMO CN(C)/[NH+]=C/c1ccc(N)cc1Cl 238294574 573156472 /nfs/dbraw/zinc/15/64/72/573156472.db2.gz HONYCKPXSYFXGT-WUXMJOGZSA-N 1 1 197.669 1.818 10 30 ADEEMO CC[C@H](CCC#N)[NH+]1CCOCC1 259602029 573156870 /nfs/dbraw/zinc/15/68/70/573156870.db2.gz FIGGGBLBCPBILM-SNVBAGLBSA-N 1 1 182.267 1.401 10 30 ADEEMO C=C[C@H](C)[N@H+](C)Cc1ccnn1C 308283540 573157995 /nfs/dbraw/zinc/15/79/95/573157995.db2.gz XWPCKUMDNMIWMJ-VIFPVBQESA-N 1 1 179.267 1.426 10 30 ADEEMO C=CC[N@@H+](C[C@H](C)N)[C@H](C)C(C)C 308505867 573157417 /nfs/dbraw/zinc/15/74/17/573157417.db2.gz IOLATMDGIUANQD-WDEREUQCSA-N 1 1 184.327 1.866 10 30 ADEEMO C=CCN(C[C@H](C)[NH3+])[C@H](C)C(C)C 308505867 573157423 /nfs/dbraw/zinc/15/74/23/573157423.db2.gz IOLATMDGIUANQD-WDEREUQCSA-N 1 1 184.327 1.866 10 30 ADEEMO Cc1cc([C@@H]([NH3+])CC#N)cs1 104671601 573157520 /nfs/dbraw/zinc/15/75/20/573157520.db2.gz YBZNACLRTNWKBZ-QMMMGPOBSA-N 1 1 166.249 1.970 10 30 ADEEMO C=C[C@@H](C)[N@H+](C)Cc1ccnn1C 308283537 573157578 /nfs/dbraw/zinc/15/75/78/573157578.db2.gz XWPCKUMDNMIWMJ-SECBINFHSA-N 1 1 179.267 1.426 10 30 ADEEMO C=C[C@@H](C)[N@@H+](C)Cc1ccnn1C 308283537 573157582 /nfs/dbraw/zinc/15/75/82/573157582.db2.gz XWPCKUMDNMIWMJ-SECBINFHSA-N 1 1 179.267 1.426 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCC[C@@H](COC)C1 308282631 573157977 /nfs/dbraw/zinc/15/79/77/573157977.db2.gz YMQSVEZEZCKLJH-WDEREUQCSA-N 1 1 183.295 1.919 10 30 ADEEMO C=C[C@H](C)[N@@H+](C)Cc1ccnn1C 308283540 573158001 /nfs/dbraw/zinc/15/80/01/573158001.db2.gz XWPCKUMDNMIWMJ-VIFPVBQESA-N 1 1 179.267 1.426 10 30 ADEEMO Cc1cc([C@@H]([NH3+])CC#N)c[nH]c1=O 104669186 573158367 /nfs/dbraw/zinc/15/83/67/573158367.db2.gz JXABONDZWAXJJN-QMMMGPOBSA-N 1 1 177.207 1.009 10 30 ADEEMO COc1cncc([C@@H]([NH3+])CC#N)c1 104672359 573159228 /nfs/dbraw/zinc/15/92/28/573159228.db2.gz POAOCJBEXJPAMP-VIFPVBQESA-N 1 1 177.207 1.004 10 30 ADEEMO CC(=O)[C@H]([NH3+])c1ccc(C#N)cc1 104670912 573159397 /nfs/dbraw/zinc/15/93/97/573159397.db2.gz UKQGEANACWQGPJ-JTQLQIEISA-N 1 1 174.203 1.147 10 30 ADEEMO N#CC[C@H]([NH3+])c1ccnc(Cl)c1 104670480 573159739 /nfs/dbraw/zinc/15/97/39/573159739.db2.gz MPPBKNGOBJSFAQ-ZETCQYMHSA-N 1 1 181.626 1.648 10 30 ADEEMO Cc1[nH+]ccn1CC(C)(C)C#N 260048481 573160271 /nfs/dbraw/zinc/16/02/71/573160271.db2.gz LVLDSZGKMJEPRG-UHFFFAOYSA-N 1 1 163.224 1.741 10 30 ADEEMO CCc1[nH]c(CS)nc1C 258559363 573160944 /nfs/dbraw/zinc/16/09/44/573160944.db2.gz LTAXCNGSWBCVIQ-UHFFFAOYSA-N 1 1 156.254 1.710 10 30 ADEEMO COc1cc([C@H]([NH3+])CC#N)ccn1 104672253 573160655 /nfs/dbraw/zinc/16/06/55/573160655.db2.gz IEXGGYBWVRBAMN-MRVPVSSYSA-N 1 1 177.207 1.004 10 30 ADEEMO Cc1cc(=O)[nH]cc1[C@@H]([NH3+])CC#N 104672616 573160773 /nfs/dbraw/zinc/16/07/73/573160773.db2.gz HZZKPTWVKIZJTC-QMMMGPOBSA-N 1 1 177.207 1.009 10 30 ADEEMO CC[N@H+]1CC(=NNC2CC2)[C@@H](C)C1 308285541 573160784 /nfs/dbraw/zinc/16/07/84/573160784.db2.gz ASQWOZXLXPAWIF-QMMMGPOBSA-N 1 1 181.283 1.066 10 30 ADEEMO CC[N@@H+]1CC(=NNC2CC2)[C@@H](C)C1 308285541 573160790 /nfs/dbraw/zinc/16/07/90/573160790.db2.gz ASQWOZXLXPAWIF-QMMMGPOBSA-N 1 1 181.283 1.066 10 30 ADEEMO C=CCCN[C@@H](C)C[NH2+]C(C)C 128985121 573160808 /nfs/dbraw/zinc/16/08/08/573160808.db2.gz XFKXDUZWOZGWTF-JTQLQIEISA-N 1 1 170.300 1.539 10 30 ADEEMO C=CCC[NH2+][C@@H](C)CNC(C)C 128985121 573160817 /nfs/dbraw/zinc/16/08/17/573160817.db2.gz XFKXDUZWOZGWTF-JTQLQIEISA-N 1 1 170.300 1.539 10 30 ADEEMO COc1cc([C@@H]([NH3+])CC#N)ccn1 104672258 573160820 /nfs/dbraw/zinc/16/08/20/573160820.db2.gz IEXGGYBWVRBAMN-QMMMGPOBSA-N 1 1 177.207 1.004 10 30 ADEEMO CC1=C2CC[N@H+](C)C[C@@H]2CCC1=O 238294650 573161131 /nfs/dbraw/zinc/16/11/31/573161131.db2.gz AVMKJCHOKMRJMQ-VIFPVBQESA-N 1 1 179.263 1.618 10 30 ADEEMO CC[N@H+]1CC(=NNC2CC2)[C@H](C)C1 308285535 573161233 /nfs/dbraw/zinc/16/12/33/573161233.db2.gz ASQWOZXLXPAWIF-MRVPVSSYSA-N 1 1 181.283 1.066 10 30 ADEEMO CC[N@@H+]1CC(=NNC2CC2)[C@H](C)C1 308285535 573161234 /nfs/dbraw/zinc/16/12/34/573161234.db2.gz ASQWOZXLXPAWIF-MRVPVSSYSA-N 1 1 181.283 1.066 10 30 ADEEMO CC1=C2CC[N@H+](C)C[C@H]2CCC1=O 238294633 573161268 /nfs/dbraw/zinc/16/12/68/573161268.db2.gz AVMKJCHOKMRJMQ-SECBINFHSA-N 1 1 179.263 1.618 10 30 ADEEMO Cc1ccc([C@@H]([NH3+])CC#N)c(C)n1 104669235 573161330 /nfs/dbraw/zinc/16/13/30/573161330.db2.gz ZMQLBBJURKTRIH-JTQLQIEISA-N 1 1 175.235 1.612 10 30 ADEEMO C[C@H](CC#N)N1CC[N@H+]2CCC[C@@H]2C1 82687430 573161657 /nfs/dbraw/zinc/16/16/57/573161657.db2.gz HISCGCZAKJDTIL-GHMZBOCLSA-N 1 1 193.294 1.069 10 30 ADEEMO Cc1cc(C)c([C@@H]([NH3+])CC#N)[nH]1 104669783 573161732 /nfs/dbraw/zinc/16/17/32/573161732.db2.gz RXCUAGRQVSYJAZ-QMMMGPOBSA-N 1 1 163.224 1.545 10 30 ADEEMO C=CCCC[N@@H+]1CCOC[C@H](C)C1 308284933 573162089 /nfs/dbraw/zinc/16/20/89/573162089.db2.gz CZIWPZIFTBMEEN-LLVKDONJSA-N 1 1 183.295 1.921 10 30 ADEEMO N#CC[C@H]([NH3+])c1cncc(Cl)c1 104670626 573162095 /nfs/dbraw/zinc/16/20/95/573162095.db2.gz OOZNOUNYCZPZIE-QMMMGPOBSA-N 1 1 181.626 1.648 10 30 ADEEMO C=CCCN[C@H](C)C[NH2+]C(C)C 128984909 573162436 /nfs/dbraw/zinc/16/24/36/573162436.db2.gz XFKXDUZWOZGWTF-SNVBAGLBSA-N 1 1 170.300 1.539 10 30 ADEEMO C=CCC[NH2+][C@H](C)CNC(C)C 128984909 573162440 /nfs/dbraw/zinc/16/24/40/573162440.db2.gz XFKXDUZWOZGWTF-SNVBAGLBSA-N 1 1 170.300 1.539 10 30 ADEEMO Cc1c(N)cccc1[C@@H]([NH3+])CC#N 104675333 573163222 /nfs/dbraw/zinc/16/32/22/573163222.db2.gz PYDDUXIERLUFBE-JTQLQIEISA-N 1 1 175.235 1.491 10 30 ADEEMO C=CCCC[N@@H+]1CCOC[C@@H](C)C1 308284934 573163403 /nfs/dbraw/zinc/16/34/03/573163403.db2.gz CZIWPZIFTBMEEN-NSHDSACASA-N 1 1 183.295 1.921 10 30 ADEEMO CC(C)(C)c1[nH+]ccn1CC#N 82739041 573163692 /nfs/dbraw/zinc/16/36/92/573163692.db2.gz KFSMKUIFRUNNDU-UHFFFAOYSA-N 1 1 163.224 1.704 10 30 ADEEMO C=CCO[C@@H](C)C[NH+]1CCC(=O)CC1 308512055 573164488 /nfs/dbraw/zinc/16/44/88/573164488.db2.gz COQMJXCMYXOEEQ-JTQLQIEISA-N 1 1 197.278 1.242 10 30 ADEEMO N#CC[C@@H]([NH3+])c1csc(CO)c1 104673248 573164552 /nfs/dbraw/zinc/16/45/52/573164552.db2.gz XPQHTUSSOJLVHM-MRVPVSSYSA-N 1 1 182.248 1.154 10 30 ADEEMO C[C@@H](C=O)[N@H+]1CCC[C@@H](CCF)C1 689838199 573164732 /nfs/dbraw/zinc/16/47/32/573164732.db2.gz UXUGNDOYITYONM-UWVGGRQHSA-N 1 1 187.258 1.645 10 30 ADEEMO C#CC[N@H+](CCO)[C@H]1CC[C@H](C)C1 308289683 573164843 /nfs/dbraw/zinc/16/48/43/573164843.db2.gz GGKKBZOVNMOJTF-QWRGUYRKSA-N 1 1 181.279 1.103 10 30 ADEEMO CCc1ccncc1[C@@H]([NH3+])CC#N 104673001 573165135 /nfs/dbraw/zinc/16/51/35/573165135.db2.gz QDFNDXYZBIKLBR-JTQLQIEISA-N 1 1 175.235 1.557 10 30 ADEEMO C[C@H](CC#N)[N@H+]1C[C@H](CO)CC[C@H]1C 688716738 573165239 /nfs/dbraw/zinc/16/52/39/573165239.db2.gz KOKZJUHPWHBZJL-GMTAPVOTSA-N 1 1 196.294 1.381 10 30 ADEEMO Cc1[nH+]cn(CCO[C@@H](C)C#N)c1C 308511131 573165248 /nfs/dbraw/zinc/16/52/48/573165248.db2.gz CDTHXSLIUOXBJE-QMMMGPOBSA-N 1 1 193.250 1.429 10 30 ADEEMO C[C@H](C=O)[N@H+]1CCC[C@H](CCF)C1 689838196 573165595 /nfs/dbraw/zinc/16/55/95/573165595.db2.gz UXUGNDOYITYONM-NXEZZACHSA-N 1 1 187.258 1.645 10 30 ADEEMO C[C@H](CC#N)[N@H+]1C[C@@H](CO)CC[C@H]1C 688716740 573165710 /nfs/dbraw/zinc/16/57/10/573165710.db2.gz KOKZJUHPWHBZJL-MXWKQRLJSA-N 1 1 196.294 1.381 10 30 ADEEMO C[C@H]1CC[C@H](CO)C[N@@H+]1[C@H](C)CC#N 688716737 573165842 /nfs/dbraw/zinc/16/58/42/573165842.db2.gz KOKZJUHPWHBZJL-AXFHLTTASA-N 1 1 196.294 1.381 10 30 ADEEMO C[C@@H](C=O)[N@H+]1CCC[C@H](CCF)C1 689838201 573166111 /nfs/dbraw/zinc/16/61/11/573166111.db2.gz UXUGNDOYITYONM-VHSXEESVSA-N 1 1 187.258 1.645 10 30 ADEEMO Cn1cc([C@@H]([NH3+])C=O)c2ccccc21 259351296 573166189 /nfs/dbraw/zinc/16/61/89/573166189.db2.gz LYJVDIAJJJVWSM-JTQLQIEISA-N 1 1 188.230 1.377 10 30 ADEEMO Cc1ccsc1[C@H]([NH3+])C=O 259351400 573167518 /nfs/dbraw/zinc/16/75/18/573167518.db2.gz LZDHDAANQUVIAZ-ZCFIWIBFSA-N 1 1 155.222 1.255 10 30 ADEEMO N#CCCC[NH2+][C@@H](CO)c1ccco1 308512896 573167936 /nfs/dbraw/zinc/16/79/36/573167936.db2.gz LBMPHJTXXVFQKW-VIFPVBQESA-N 1 1 194.234 1.206 10 30 ADEEMO C[C@H](C=O)[N@H+]1CCC[C@@H](CCF)C1 689838204 573168661 /nfs/dbraw/zinc/16/86/61/573168661.db2.gz UXUGNDOYITYONM-ZJUUUORDSA-N 1 1 187.258 1.645 10 30 ADEEMO C=CCCN[C@@H](C)C[NH2+]CC(C)C 128990490 573169266 /nfs/dbraw/zinc/16/92/66/573169266.db2.gz MUEAFZVRKSHZTO-NSHDSACASA-N 1 1 184.327 1.786 10 30 ADEEMO N#CCCC[NH2+][C@H](CO)c1ccco1 308512895 573169285 /nfs/dbraw/zinc/16/92/85/573169285.db2.gz LBMPHJTXXVFQKW-SECBINFHSA-N 1 1 194.234 1.206 10 30 ADEEMO CC#CC[NH2+][C@H](CN)[C@@H](C)C(C)C 308291898 573170060 /nfs/dbraw/zinc/17/00/60/573170060.db2.gz KPHGYHAARDSPIP-WDEREUQCSA-N 1 1 182.311 1.219 10 30 ADEEMO Cc1ccsc1[C@@H]([NH3+])C=O 259351398 573170093 /nfs/dbraw/zinc/17/00/93/573170093.db2.gz LZDHDAANQUVIAZ-LURJTMIESA-N 1 1 155.222 1.255 10 30 ADEEMO C=CC[N@H+](CC)[C@H](C)[C@H](C)O 393616002 573170408 /nfs/dbraw/zinc/17/04/08/573170408.db2.gz GILWOCFYOGSJCN-BDAKNGLRSA-N 1 1 157.257 1.264 10 30 ADEEMO CCCNC=C(C=[NH+]CCC)[N+](=O)[O-] 308291891 573170515 /nfs/dbraw/zinc/17/05/15/573170515.db2.gz KOEVZHUPTFLBML-JLUCNAMBSA-N 1 1 199.254 1.585 10 30 ADEEMO CCOC[C@@H](C)[N@H+](C)C[C@H](C)C#N 308291301 573170583 /nfs/dbraw/zinc/17/05/83/573170583.db2.gz FCVBGSGBTOYFCZ-NXEZZACHSA-N 1 1 184.283 1.503 10 30 ADEEMO CCOC[C@@H](C)[N@@H+](C)C[C@H](C)C#N 308291301 573170587 /nfs/dbraw/zinc/17/05/87/573170587.db2.gz FCVBGSGBTOYFCZ-NXEZZACHSA-N 1 1 184.283 1.503 10 30 ADEEMO C=C[C@@H](C)C[N@H+](C)C[C@@](C)(O)CC 308290978 573171058 /nfs/dbraw/zinc/17/10/58/573171058.db2.gz GZIHNGJSDUZCDZ-MNOVXSKESA-N 1 1 185.311 1.901 10 30 ADEEMO CC#CC[NH2+][C@@H](CN)[C@H](C)C(C)C 308291896 573171385 /nfs/dbraw/zinc/17/13/85/573171385.db2.gz KPHGYHAARDSPIP-MNOVXSKESA-N 1 1 182.311 1.219 10 30 ADEEMO C#CC(C)(C)[NH2+]CC1(C#N)CC1 642857692 573171496 /nfs/dbraw/zinc/17/14/96/573171496.db2.gz AAVQANRTRGPVML-UHFFFAOYSA-N 1 1 162.236 1.292 10 30 ADEEMO CCOC[C@H](C)[N@H+](C)C[C@H](C)C#N 308291304 573171587 /nfs/dbraw/zinc/17/15/87/573171587.db2.gz FCVBGSGBTOYFCZ-ZJUUUORDSA-N 1 1 184.283 1.503 10 30 ADEEMO CCOC[C@H](C)[N@@H+](C)C[C@H](C)C#N 308291304 573171592 /nfs/dbraw/zinc/17/15/92/573171592.db2.gz FCVBGSGBTOYFCZ-ZJUUUORDSA-N 1 1 184.283 1.503 10 30 ADEEMO CCc1ccn2c[nH+]cc2c1C#N 238298442 573171819 /nfs/dbraw/zinc/17/18/19/573171819.db2.gz WXYRJMHBSIPGLU-UHFFFAOYSA-N 1 1 171.203 1.768 10 30 ADEEMO CN(CCC#N)C1CCC([NH3+])CC1 85870094 573171911 /nfs/dbraw/zinc/17/19/11/573171911.db2.gz MSBFNPBJCZDWSE-UHFFFAOYSA-N 1 1 181.283 1.102 10 30 ADEEMO C=C[C@@H](C)C[N@H+](C)C[C@](C)(O)CC 308290977 573172289 /nfs/dbraw/zinc/17/22/89/573172289.db2.gz GZIHNGJSDUZCDZ-GHMZBOCLSA-N 1 1 185.311 1.901 10 30 ADEEMO CCCNC=C(C=[NH+]CCC)[N+](=O)[O-] 308291890 573172406 /nfs/dbraw/zinc/17/24/06/573172406.db2.gz KOEVZHUPTFLBML-BGZVTZOUSA-N 1 1 199.254 1.585 10 30 ADEEMO C=C[C@H](C)C[N@H+](C)C[C@@](C)(O)CC 308290979 573173619 /nfs/dbraw/zinc/17/36/19/573173619.db2.gz GZIHNGJSDUZCDZ-QWRGUYRKSA-N 1 1 185.311 1.901 10 30 ADEEMO C=C[C@H](C)C[N@H+](C)C[C@](C)(O)CC 308290980 573172726 /nfs/dbraw/zinc/17/27/26/573172726.db2.gz GZIHNGJSDUZCDZ-WDEREUQCSA-N 1 1 185.311 1.901 10 30 ADEEMO C#CC[N@H+](C)C1CCC(=O)CC1 85871794 573172792 /nfs/dbraw/zinc/17/27/92/573172792.db2.gz YKFURIZVCBKBIR-UHFFFAOYSA-N 1 1 165.236 1.063 10 30 ADEEMO N#CC1(C[NH2+]C2CC(F)(F)C2)CC1 642859041 573172855 /nfs/dbraw/zinc/17/28/55/573172855.db2.gz YCIPFIFHBGIVTF-UHFFFAOYSA-N 1 1 186.205 1.677 10 30 ADEEMO CCOC[C@@H](C)[N@H+](C)C[C@@H](C)C#N 308291303 573173081 /nfs/dbraw/zinc/17/30/81/573173081.db2.gz FCVBGSGBTOYFCZ-VHSXEESVSA-N 1 1 184.283 1.503 10 30 ADEEMO CCOC[C@@H](C)[N@@H+](C)C[C@@H](C)C#N 308291303 573173088 /nfs/dbraw/zinc/17/30/88/573173088.db2.gz FCVBGSGBTOYFCZ-VHSXEESVSA-N 1 1 184.283 1.503 10 30 ADEEMO N#CC[C@H]([NH3+])c1ccc(F)c(CO)c1 104675691 573173089 /nfs/dbraw/zinc/17/30/89/573173089.db2.gz XKEHHRJOXVCRCG-JTQLQIEISA-N 1 1 194.209 1.231 10 30 ADEEMO C[N@H+]1CC[C@@H](C=O)[C@@H]1c1ccccc1 238304739 573173501 /nfs/dbraw/zinc/17/35/01/573173501.db2.gz HOEGMQDEEJGMDY-RYUDHWBXSA-N 1 1 189.258 1.878 10 30 ADEEMO CCOC[C@H](C)[N@H+](C)C[C@@H](C)C#N 308291302 573173550 /nfs/dbraw/zinc/17/35/50/573173550.db2.gz FCVBGSGBTOYFCZ-UWVGGRQHSA-N 1 1 184.283 1.503 10 30 ADEEMO CCOC[C@H](C)[N@@H+](C)C[C@@H](C)C#N 308291302 573173556 /nfs/dbraw/zinc/17/35/56/573173556.db2.gz FCVBGSGBTOYFCZ-UWVGGRQHSA-N 1 1 184.283 1.503 10 30 ADEEMO COCC[N@@H+](C[C@@H]1CO1)[C@@H](C)C1CC1 42616356 573173600 /nfs/dbraw/zinc/17/36/00/573173600.db2.gz YVIFMBABDOEDBQ-GXSJLCMTSA-N 1 1 199.294 1.132 10 30 ADEEMO CCC[N@H+]1CCC[C@@H](N(C)CC#N)C1 258569025 573173787 /nfs/dbraw/zinc/17/37/87/573173787.db2.gz LALMCOFMFYRWMD-LLVKDONJSA-N 1 1 195.310 1.316 10 30 ADEEMO CC#CC[NH2+][C@H](CN)[C@H](C)C(C)C 308291895 573173740 /nfs/dbraw/zinc/17/37/40/573173740.db2.gz KPHGYHAARDSPIP-GHMZBOCLSA-N 1 1 182.311 1.219 10 30 ADEEMO C[C@H]1CC[C@]2(C#N)CCC[N@H+]12 259602927 573174115 /nfs/dbraw/zinc/17/41/15/573174115.db2.gz MFMZPAPKGQZNAQ-IUCAKERBSA-N 1 1 150.225 1.527 10 30 ADEEMO C[C@H]1CC[C@]2(C#N)CCC[N@@H+]12 259602927 573174122 /nfs/dbraw/zinc/17/41/22/573174122.db2.gz MFMZPAPKGQZNAQ-IUCAKERBSA-N 1 1 150.225 1.527 10 30 ADEEMO N#CC[C@@H]([NH3+])c1ccc(CO)c(F)c1 104676495 573174290 /nfs/dbraw/zinc/17/42/90/573174290.db2.gz CWZQECMXEGCSHE-SNVBAGLBSA-N 1 1 194.209 1.231 10 30 ADEEMO CC[N@H+]1CCC(C)(C)[C@H](C#N)C1 259353377 573174439 /nfs/dbraw/zinc/17/44/39/573174439.db2.gz TYAQCWBSMFJYSI-SECBINFHSA-N 1 1 166.268 1.878 10 30 ADEEMO C[C@@H]1CC[C@@]2(C#N)CCC[N@H+]12 259602929 573174453 /nfs/dbraw/zinc/17/44/53/573174453.db2.gz MFMZPAPKGQZNAQ-RKDXNWHRSA-N 1 1 150.225 1.527 10 30 ADEEMO C[C@@H]1CC[C@@]2(C#N)CCC[N@@H+]12 259602929 573174463 /nfs/dbraw/zinc/17/44/63/573174463.db2.gz MFMZPAPKGQZNAQ-RKDXNWHRSA-N 1 1 150.225 1.527 10 30 ADEEMO CCC[N@H+]1CCC[C@H](N(C)CC#N)C1 258569026 573174636 /nfs/dbraw/zinc/17/46/36/573174636.db2.gz LALMCOFMFYRWMD-NSHDSACASA-N 1 1 195.310 1.316 10 30 ADEEMO N#CC[C@@H]([NH3+])c1ccc(F)c(CO)c1 104675689 573174972 /nfs/dbraw/zinc/17/49/72/573174972.db2.gz XKEHHRJOXVCRCG-SNVBAGLBSA-N 1 1 194.209 1.231 10 30 ADEEMO CCON=C1CC[N@@H+](CC)[C@@H](C)C1 308294103 573175102 /nfs/dbraw/zinc/17/51/02/573175102.db2.gz GZRTZUOYBQFDQV-VIFPVBQESA-N 1 1 184.283 1.883 10 30 ADEEMO N#CC[C@H]([NH3+])c1ccc(CO)c(F)c1 104676499 573175263 /nfs/dbraw/zinc/17/52/63/573175263.db2.gz CWZQECMXEGCSHE-JTQLQIEISA-N 1 1 194.209 1.231 10 30 ADEEMO C[C@@H]1CC[C@]2(C#N)CCC[N@H+]12 259602925 573175557 /nfs/dbraw/zinc/17/55/57/573175557.db2.gz MFMZPAPKGQZNAQ-BDAKNGLRSA-N 1 1 150.225 1.527 10 30 ADEEMO C[C@@H]1CC[C@]2(C#N)CCC[N@@H+]12 259602925 573175564 /nfs/dbraw/zinc/17/55/64/573175564.db2.gz MFMZPAPKGQZNAQ-BDAKNGLRSA-N 1 1 150.225 1.527 10 30 ADEEMO C=CCCCNCC[NH2+]CC(C)C 128973712 573175595 /nfs/dbraw/zinc/17/55/95/573175595.db2.gz JQGMJGIHTKKQJB-UHFFFAOYSA-N 1 1 184.327 1.788 10 30 ADEEMO C=CCCC[NH2+]CCNCC(C)C 128973712 573175600 /nfs/dbraw/zinc/17/56/00/573175600.db2.gz JQGMJGIHTKKQJB-UHFFFAOYSA-N 1 1 184.327 1.788 10 30 ADEEMO C=CCOCCN1CC[C@@H]([NH3+])C[C@H]1C 308509667 573175834 /nfs/dbraw/zinc/17/58/34/573175834.db2.gz BJUIHTPJGQUCSW-GHMZBOCLSA-N 1 1 198.310 1.001 10 30 ADEEMO C=CCOCCN1CC[C@H]([NH3+])C[C@@H]1C 308509678 573175911 /nfs/dbraw/zinc/17/59/11/573175911.db2.gz BJUIHTPJGQUCSW-QWRGUYRKSA-N 1 1 198.310 1.001 10 30 ADEEMO C[C@H]1CC[C@@]2(C#N)CCC[N@H+]12 259602926 573176516 /nfs/dbraw/zinc/17/65/16/573176516.db2.gz MFMZPAPKGQZNAQ-DTWKUNHWSA-N 1 1 150.225 1.527 10 30 ADEEMO C[C@H]1CC[C@@]2(C#N)CCC[N@@H+]12 259602926 573176520 /nfs/dbraw/zinc/17/65/20/573176520.db2.gz MFMZPAPKGQZNAQ-DTWKUNHWSA-N 1 1 150.225 1.527 10 30 ADEEMO CCON=C1CC[N@@H+](CC)C[C@H]1C 308293931 573176657 /nfs/dbraw/zinc/17/66/57/573176657.db2.gz GUVLSOLLUZDBBJ-SECBINFHSA-N 1 1 184.283 1.741 10 30 ADEEMO CCc1cc(C#N)c2c[nH+]cn2c1 238304585 573176881 /nfs/dbraw/zinc/17/68/81/573176881.db2.gz GMULTJGSZWWXAY-UHFFFAOYSA-N 1 1 171.203 1.768 10 30 ADEEMO C[N@H+]1CCC[C@@H]([C@@H](O)CCS)C1 259037166 573177035 /nfs/dbraw/zinc/17/70/35/573177035.db2.gz FHNUGSCQPWLYIR-BDAKNGLRSA-N 1 1 189.324 1.009 10 30 ADEEMO COC1(C[N@@H+](C)CC=O)CCCCC1 714641734 573177046 /nfs/dbraw/zinc/17/70/46/573177046.db2.gz KYHNLPVSZXNKDU-UHFFFAOYSA-N 1 1 199.294 1.466 10 30 ADEEMO CC[N@H+]1CCC(C)(C)[C@@H](C#N)C1 259353384 573177088 /nfs/dbraw/zinc/17/70/88/573177088.db2.gz TYAQCWBSMFJYSI-VIFPVBQESA-N 1 1 166.268 1.878 10 30 ADEEMO CCON=C1CC[N@@H+](CC)[C@H](C)C1 308294102 573177163 /nfs/dbraw/zinc/17/71/63/573177163.db2.gz GZRTZUOYBQFDQV-SECBINFHSA-N 1 1 184.283 1.883 10 30 ADEEMO CCON=C1CC[N@@H+](CC)C[C@@H]1C 308293932 573177223 /nfs/dbraw/zinc/17/72/23/573177223.db2.gz GUVLSOLLUZDBBJ-VIFPVBQESA-N 1 1 184.283 1.741 10 30 ADEEMO C[N@H+]1CC[C@@H](C=O)CC1(C)C 238304715 573177447 /nfs/dbraw/zinc/17/74/47/573177447.db2.gz AOMIUOADQOZHTI-MRVPVSSYSA-N 1 1 155.241 1.306 10 30 ADEEMO CC(C)[N@H+]1CCC[C@@](O)(CC#N)CC1 85879458 573177686 /nfs/dbraw/zinc/17/76/86/573177686.db2.gz SKCXFWZPTZSPNP-LLVKDONJSA-N 1 1 196.294 1.525 10 30 ADEEMO C=CCC[NH2+][C@H](C)CNCCC 128983203 573177809 /nfs/dbraw/zinc/17/78/09/573177809.db2.gz DYBJTRZFEDPPNS-SNVBAGLBSA-N 1 1 170.300 1.540 10 30 ADEEMO CC[N@H+]1CCC[C@@](O)(CC#N)CC1 85879443 573178426 /nfs/dbraw/zinc/17/84/26/573178426.db2.gz WUFMDQLWJAUNRV-SNVBAGLBSA-N 1 1 182.267 1.137 10 30 ADEEMO CC(=O)CC[N@@H+](C)CC(C)(C)C#N 308294058 573178615 /nfs/dbraw/zinc/17/86/15/573178615.db2.gz QGEDABWLFQJPDV-UHFFFAOYSA-N 1 1 182.267 1.447 10 30 ADEEMO CC(=O)CC[N@H+](C)CC(C)(C)C#N 308294058 573178622 /nfs/dbraw/zinc/17/86/22/573178622.db2.gz QGEDABWLFQJPDV-UHFFFAOYSA-N 1 1 182.267 1.447 10 30 ADEEMO C#CC[NH2+][C@H](c1nccn1C)C1CC1 308510273 573179421 /nfs/dbraw/zinc/17/94/21/573179421.db2.gz IWQZLMAKTGUFPZ-JTQLQIEISA-N 1 1 189.262 1.094 10 30 ADEEMO CC[C@]1(C)C[C@@H](C=O)[C@@H](C)C[N@H+]1C 238305052 573178724 /nfs/dbraw/zinc/17/87/24/573178724.db2.gz GEFDVHPCACWDQH-GARJFASQSA-N 1 1 183.295 1.942 10 30 ADEEMO C=C(C[NH3+])C[N@@H+]1CC(C)(C)C1(C)C 642829003 573180274 /nfs/dbraw/zinc/18/02/74/573180274.db2.gz MFVVFMQSCHMMAT-UHFFFAOYSA-N 1 1 182.311 1.622 10 30 ADEEMO C=C(C[NH3+])CN1CC(C)(C)C1(C)C 642829003 573180279 /nfs/dbraw/zinc/18/02/79/573180279.db2.gz MFVVFMQSCHMMAT-UHFFFAOYSA-N 1 1 182.311 1.622 10 30 ADEEMO CC[N@H+]1CCC[C@](O)(CC#N)CC1 85879441 573180375 /nfs/dbraw/zinc/18/03/75/573180375.db2.gz WUFMDQLWJAUNRV-JTQLQIEISA-N 1 1 182.267 1.137 10 30 ADEEMO CCC[N@H+]1CCC[C@](O)(CC#N)CC1 85879449 573180462 /nfs/dbraw/zinc/18/04/62/573180462.db2.gz HDYQCLYGYSDROB-NSHDSACASA-N 1 1 196.294 1.527 10 30 ADEEMO CCC[N@H+]1CCC[C@@](O)(CC#N)CC1 85879452 573180507 /nfs/dbraw/zinc/18/05/07/573180507.db2.gz HDYQCLYGYSDROB-LLVKDONJSA-N 1 1 196.294 1.527 10 30 ADEEMO C[N@H+]1CCC[C@@H]([C@H](O)CCS)C1 259037176 573180720 /nfs/dbraw/zinc/18/07/20/573180720.db2.gz FHNUGSCQPWLYIR-RKDXNWHRSA-N 1 1 189.324 1.009 10 30 ADEEMO C[N@H+]1CCC[C@H]([C@H](O)CCS)C1 259037170 573180750 /nfs/dbraw/zinc/18/07/50/573180750.db2.gz FHNUGSCQPWLYIR-DTWKUNHWSA-N 1 1 189.324 1.009 10 30 ADEEMO C[N@H+]1CCC[C@H]([C@@H](O)CCS)C1 259037173 573181002 /nfs/dbraw/zinc/18/10/02/573181002.db2.gz FHNUGSCQPWLYIR-IUCAKERBSA-N 1 1 189.324 1.009 10 30 ADEEMO C=CC[N@H+](CC)[C@@H](CN)C(C)C 132015128 573181106 /nfs/dbraw/zinc/18/11/06/573181106.db2.gz MJEAIGGMBCWPNR-JTQLQIEISA-N 1 1 170.300 1.478 10 30 ADEEMO C=CCN(CC)[C@@H](C[NH3+])C(C)C 132015128 573181113 /nfs/dbraw/zinc/18/11/13/573181113.db2.gz MJEAIGGMBCWPNR-JTQLQIEISA-N 1 1 170.300 1.478 10 30 ADEEMO CC(C)[N@H+]1CCC[C@](O)(CC#N)CC1 85879455 573181378 /nfs/dbraw/zinc/18/13/78/573181378.db2.gz SKCXFWZPTZSPNP-NSHDSACASA-N 1 1 196.294 1.525 10 30 ADEEMO CC[C@]1(C)C[C@H](C=O)CC[N@H+]1C 238305523 573181791 /nfs/dbraw/zinc/18/17/91/573181791.db2.gz DPMFYRFSQMKLAO-NXEZZACHSA-N 1 1 169.268 1.696 10 30 ADEEMO C=C(C[C@H]1CCC[N@@H+](C)C1)C(=O)OC 258238188 573181874 /nfs/dbraw/zinc/18/18/74/573181874.db2.gz PVYVCRIFHQRXBL-SNVBAGLBSA-N 1 1 197.278 1.448 10 30 ADEEMO Cc1c[nH+]c(N)c(C[C@H](C)C=O)c1 82765264 573182702 /nfs/dbraw/zinc/18/27/02/573182702.db2.gz MIJPWIUGTGUOBG-QMMMGPOBSA-N 1 1 178.235 1.350 10 30 ADEEMO C=C(C)[C@@H](O)[C@@H]1CCC[N@@H+]1C 642865117 573182739 /nfs/dbraw/zinc/18/27/39/573182739.db2.gz XBZPMFKKHJJXJI-DTWKUNHWSA-N 1 1 155.241 1.018 10 30 ADEEMO CC[C@@H](C#N)[C@]1(O)CC[N@H+](C2CC2)C1 85882898 573185687 /nfs/dbraw/zinc/18/56/87/573185687.db2.gz VCGDKGDQAQTAIT-ONGXEEELSA-N 1 1 194.278 1.135 10 30 ADEEMO C=CCC[C@H](C)[NH2+]Cc1c[nH]cn1 132013881 573185581 /nfs/dbraw/zinc/18/55/81/573185581.db2.gz UMXXFFUISCGZLY-VIFPVBQESA-N 1 1 179.267 1.854 10 30 ADEEMO C=CC[N@H+](CC)[C@H](CN)C(C)C 132015349 573184807 /nfs/dbraw/zinc/18/48/07/573184807.db2.gz MJEAIGGMBCWPNR-SNVBAGLBSA-N 1 1 170.300 1.478 10 30 ADEEMO C=CCN(CC)[C@H](C[NH3+])C(C)C 132015349 573184812 /nfs/dbraw/zinc/18/48/12/573184812.db2.gz MJEAIGGMBCWPNR-SNVBAGLBSA-N 1 1 170.300 1.478 10 30 ADEEMO C=CCN(CC)CCC[NH2+]CCC 132022647 573185219 /nfs/dbraw/zinc/18/52/19/573185219.db2.gz MOUJITTVHTVECW-UHFFFAOYSA-N 1 1 184.327 1.884 10 30 ADEEMO CC[C@@H](C#N)[C@@]1(O)CC[N@H+](C2CC2)C1 85882902 573185491 /nfs/dbraw/zinc/18/54/91/573185491.db2.gz VCGDKGDQAQTAIT-GXSJLCMTSA-N 1 1 194.278 1.135 10 30 ADEEMO C=CC[N@@H+](CC)[C@H](CC)CN 132017594 573186515 /nfs/dbraw/zinc/18/65/15/573186515.db2.gz DIQGAFMQCFLYDM-SECBINFHSA-N 1 1 156.273 1.232 10 30 ADEEMO CC(=O)[C@@H]([NH3+])c1csc(CC#N)c1 104683528 573185670 /nfs/dbraw/zinc/18/56/70/573185670.db2.gz VRXUMZICBNUUPE-SECBINFHSA-N 1 1 194.259 1.403 10 30 ADEEMO C=CC[N@@H+](CC)[C@@H](CC)CN 132017360 573185812 /nfs/dbraw/zinc/18/58/12/573185812.db2.gz DIQGAFMQCFLYDM-VIFPVBQESA-N 1 1 156.273 1.232 10 30 ADEEMO CC[C@H](C#N)[C@@]1(O)CC[N@H+](C2CC2)C1 85882903 573185815 /nfs/dbraw/zinc/18/58/15/573185815.db2.gz VCGDKGDQAQTAIT-MWLCHTKSSA-N 1 1 194.278 1.135 10 30 ADEEMO C=CC[N@H+](CC)[C@@H](CC)CN 132017360 573185819 /nfs/dbraw/zinc/18/58/19/573185819.db2.gz DIQGAFMQCFLYDM-VIFPVBQESA-N 1 1 156.273 1.232 10 30 ADEEMO C=CC[N@H+](CC)[C@H](CC)CN 132017594 573186521 /nfs/dbraw/zinc/18/65/21/573186521.db2.gz DIQGAFMQCFLYDM-SECBINFHSA-N 1 1 156.273 1.232 10 30 ADEEMO Cc1[nH]c([C@@H](C)C#N)c(C)[nH+]1 78320643 573185935 /nfs/dbraw/zinc/18/59/35/573185935.db2.gz PKXPZVNPRHSIGV-YFKPBYRVSA-N 1 1 149.197 1.654 10 30 ADEEMO C=CCC[C@@H](C)[NH2+]Cc1c[nH]cn1 132014073 573187179 /nfs/dbraw/zinc/18/71/79/573187179.db2.gz UMXXFFUISCGZLY-SECBINFHSA-N 1 1 179.267 1.854 10 30 ADEEMO C[N@H+]1CC[C@@](O)(C2(C#N)CCCC2)C1 85882827 573187246 /nfs/dbraw/zinc/18/72/46/573187246.db2.gz ZGVYMYKNXNIVIO-NSHDSACASA-N 1 1 194.278 1.137 10 30 ADEEMO Cc1[nH]c([C@H](C)C#N)c(C)[nH+]1 78320647 573187388 /nfs/dbraw/zinc/18/73/88/573187388.db2.gz PKXPZVNPRHSIGV-RXMQYKEDSA-N 1 1 149.197 1.654 10 30 ADEEMO CC(C)[N@H+]1CC[C@@H](N[C@H](C)CC#N)C1 308514666 573187642 /nfs/dbraw/zinc/18/76/42/573187642.db2.gz MHPMFLHQAWORHR-GHMZBOCLSA-N 1 1 195.310 1.361 10 30 ADEEMO C=CC[C@H]1CC[C@H](O)C[N@@H+]1C 238318456 573187851 /nfs/dbraw/zinc/18/78/51/573187851.db2.gz GNMPQJXHUVYNHW-IUCAKERBSA-N 1 1 155.241 1.018 10 30 ADEEMO C[NH2+][C@@H](c1cccnc1)C(C)(C)C#N 259362160 573188195 /nfs/dbraw/zinc/18/81/95/573188195.db2.gz LCYJJZXNDPVOCU-JTQLQIEISA-N 1 1 189.262 1.892 10 30 ADEEMO C=CCN(CC)[C@H]1CC[C@@H]1C[NH2+]C 132037263 573188368 /nfs/dbraw/zinc/18/83/68/573188368.db2.gz IWNHCWOJXRQWRH-MNOVXSKESA-N 1 1 182.311 1.492 10 30 ADEEMO CC(C)[N@H+]1CC[C@@H](N[C@@H](C)CC#N)C1 308514669 573188509 /nfs/dbraw/zinc/18/85/09/573188509.db2.gz MHPMFLHQAWORHR-WDEREUQCSA-N 1 1 195.310 1.361 10 30 ADEEMO CC/N=C/C(C)(C)C[NH2+]C 104689985 573188769 /nfs/dbraw/zinc/18/87/69/573188769.db2.gz CULXQWQCGJSIDH-JXMROGBWSA-N 1 1 142.246 1.323 10 30 ADEEMO CC(C)[N@H+]1CC[C@H](N[C@@H](C)CC#N)C1 308514668 573188786 /nfs/dbraw/zinc/18/87/86/573188786.db2.gz MHPMFLHQAWORHR-QWRGUYRKSA-N 1 1 195.310 1.361 10 30 ADEEMO C=CCN(CC)C[C@H](C)C[NH2+]C1CC1 132029215 573188793 /nfs/dbraw/zinc/18/87/93/573188793.db2.gz HDDVQQJALURZMC-LLVKDONJSA-N 1 1 196.338 1.882 10 30 ADEEMO C=CC[N@@H+]1C[C@@H](O)CC1(C)C 259362926 573188830 /nfs/dbraw/zinc/18/88/30/573188830.db2.gz KHXFGTUGPFCNJQ-QMMMGPOBSA-N 1 1 155.241 1.018 10 30 ADEEMO CCC[N@H+]1CCC[C@@](O)(CC=O)CC1 159397418 573190595 /nfs/dbraw/zinc/19/05/95/573190595.db2.gz BIXSDZVXFWBISF-NSHDSACASA-N 1 1 199.294 1.202 10 30 ADEEMO N#CC[C@@H]1CCCC[N@H+]1C1CC1 259363330 573190375 /nfs/dbraw/zinc/19/03/75/573190375.db2.gz UQZXVWUVWGDJBS-VIFPVBQESA-N 1 1 164.252 1.917 10 30 ADEEMO N#CC[C@H]1CCCC[N@H+]1C1CC1 259363327 573190453 /nfs/dbraw/zinc/19/04/53/573190453.db2.gz UQZXVWUVWGDJBS-SECBINFHSA-N 1 1 164.252 1.917 10 30 ADEEMO CC(C)[N@H+]1CC[C@H](N[C@H](C)CC#N)C1 308514667 573190630 /nfs/dbraw/zinc/19/06/30/573190630.db2.gz MHPMFLHQAWORHR-MNOVXSKESA-N 1 1 195.310 1.361 10 30 ADEEMO CN1CC[NH2+][C@H]1c1ccc(C#N)cc1 238301626 573191100 /nfs/dbraw/zinc/19/11/00/573191100.db2.gz QNPKAUPHAZQNSM-LLVKDONJSA-N 1 1 187.246 1.092 10 30 ADEEMO C[N@H+]1[C@H]2C=CC(=O)[C@@]13CCC[C@@H]3C2 238301975 573191364 /nfs/dbraw/zinc/19/13/64/573191364.db2.gz IUTWLADHGISCPD-YWVKMMECSA-N 1 1 177.247 1.368 10 30 ADEEMO C=CC[N@@H+]1C[C@H](O)CC1(C)C 259362924 573191555 /nfs/dbraw/zinc/19/15/55/573191555.db2.gz KHXFGTUGPFCNJQ-MRVPVSSYSA-N 1 1 155.241 1.018 10 30 ADEEMO C=CC[N@H+](CC)Cc1cc(C[NH3+])co1 132026718 573191898 /nfs/dbraw/zinc/19/18/98/573191898.db2.gz GCEKENCRSXBWME-UHFFFAOYSA-N 1 1 194.278 1.746 10 30 ADEEMO CCC[N@H+]1CCC[C@](O)(CC=O)CC1 159397333 573191927 /nfs/dbraw/zinc/19/19/27/573191927.db2.gz BIXSDZVXFWBISF-LLVKDONJSA-N 1 1 199.294 1.202 10 30 ADEEMO C=CCN(CC)C[C@@H](C)C[NH2+]C1CC1 132028996 573192391 /nfs/dbraw/zinc/19/23/91/573192391.db2.gz HDDVQQJALURZMC-NSHDSACASA-N 1 1 196.338 1.882 10 30 ADEEMO CC[C@H](C)O[NH+]=Cc1cccnc1N 308516012 573192463 /nfs/dbraw/zinc/19/24/63/573192463.db2.gz MTQCAZXAWXYXIH-QMMMGPOBSA-N 1 1 193.250 1.813 10 30 ADEEMO CC(C)C[N@H+]1CCC[C@@H](NCC#N)C1 258572687 573193795 /nfs/dbraw/zinc/19/37/95/573193795.db2.gz LHTXXPXXUMXCJX-LLVKDONJSA-N 1 1 195.310 1.220 10 30 ADEEMO C=CCC[N@@H+]1CCCC[C@@]1(C)CO 308225544 573196399 /nfs/dbraw/zinc/19/63/99/573196399.db2.gz DQGYEFSZLCPROD-NSHDSACASA-N 1 1 183.295 1.799 10 30 ADEEMO Cc1ccn([C@H](C)C[C@@](C)([NH3+])C#N)n1 82795423 573197039 /nfs/dbraw/zinc/19/70/39/573197039.db2.gz BYLZRIIIVHDIDO-NXEZZACHSA-N 1 1 192.266 1.384 10 30 ADEEMO Cc1ccn([C@H](C)C[C@](C)([NH3+])C#N)n1 82795419 573197102 /nfs/dbraw/zinc/19/71/02/573197102.db2.gz BYLZRIIIVHDIDO-ZJUUUORDSA-N 1 1 192.266 1.384 10 30 ADEEMO C[C@@H](C[C@](C)(N)C#N)[N@H+]1CC[C@@H](C)C1 82794634 573197414 /nfs/dbraw/zinc/19/74/14/573197414.db2.gz DRIHRSSZGPGPRU-VWYCJHECSA-N 1 1 195.310 1.348 10 30 ADEEMO Cc1cnn([C@@H](C)C[C@](C)([NH3+])C#N)c1 82795214 573197775 /nfs/dbraw/zinc/19/77/75/573197775.db2.gz MWCTXUNTITZZNY-UWVGGRQHSA-N 1 1 192.266 1.384 10 30 ADEEMO CC[N@H+]1CCC[C@](O)([C@@H](C)C#N)CC1 85895673 573197860 /nfs/dbraw/zinc/19/78/60/573197860.db2.gz CJSKUSLPYWIKQR-WDEREUQCSA-N 1 1 196.294 1.383 10 30 ADEEMO CC[N@H+]1CCC[C@@](O)([C@@H](C)C#N)CC1 85895675 573197896 /nfs/dbraw/zinc/19/78/96/573197896.db2.gz CJSKUSLPYWIKQR-QWRGUYRKSA-N 1 1 196.294 1.383 10 30 ADEEMO CC[C@H](C#N)[C@]1(O)CCC[N@@H+](C)CC1 85895643 573198676 /nfs/dbraw/zinc/19/86/76/573198676.db2.gz WHCAEQNASDHWSY-MNOVXSKESA-N 1 1 196.294 1.383 10 30 ADEEMO Cc1cnn([C@H](C)C[C@@](C)([NH3+])C#N)c1 82795221 573198428 /nfs/dbraw/zinc/19/84/28/573198428.db2.gz MWCTXUNTITZZNY-NXEZZACHSA-N 1 1 192.266 1.384 10 30 ADEEMO [NH3+][C@H](S)c1cccs1 259365154 573198532 /nfs/dbraw/zinc/19/85/32/573198532.db2.gz KJVOFJCOGFHULD-RXMQYKEDSA-N 1 1 145.252 1.635 10 30 ADEEMO CC[C@@H](C)[N@H+]1CC[C@H](N(C)CC#N)C1 259371272 573202019 /nfs/dbraw/zinc/20/20/19/573202019.db2.gz PNMZNVLQPANSGQ-MNOVXSKESA-N 1 1 195.310 1.315 10 30 ADEEMO C[N@H+]1CC[C@](C)(C(C)(C)C=O)C1 238310619 573201264 /nfs/dbraw/zinc/20/12/64/573201264.db2.gz CCGNJZLOUDOVPT-JTQLQIEISA-N 1 1 169.268 1.553 10 30 ADEEMO C/C=C/C=[NH+]/[C@H](CC)CO 238310993 573201341 /nfs/dbraw/zinc/20/13/41/573201341.db2.gz KCCKNJPKWYAPPR-CGXBCUNBSA-N 1 1 141.214 1.404 10 30 ADEEMO C[C@@H]1[C@H](C#N)CC[N@@H+]1C[C@@H]1CCCO1 259371378 573201749 /nfs/dbraw/zinc/20/17/49/573201749.db2.gz VIVNWGKXNYSDEX-VWYCJHECSA-N 1 1 194.278 1.399 10 30 ADEEMO C[C@@H]1[C@H](C#N)CC[N@H+]1C[C@@H]1CCCO1 259371378 573201754 /nfs/dbraw/zinc/20/17/54/573201754.db2.gz VIVNWGKXNYSDEX-VWYCJHECSA-N 1 1 194.278 1.399 10 30 ADEEMO C[NH2+]C[C@H](C#N)c1ccco1 258583136 573201870 /nfs/dbraw/zinc/20/18/70/573201870.db2.gz MMMAINXRXXGCOW-ZETCQYMHSA-N 1 1 150.181 1.106 10 30 ADEEMO [NH3+][C@@H](C=O)c1ccc(F)c(F)c1 259370661 573202102 /nfs/dbraw/zinc/20/21/02/573202102.db2.gz MSWYIOXLKZJXFB-QMMMGPOBSA-N 1 1 171.146 1.164 10 30 ADEEMO C[N@H+]1CC[C@H]([C@@H]2OC2(C)C)C1 259380233 573214156 /nfs/dbraw/zinc/21/41/56/573214156.db2.gz RCRHBXOYVZIOQA-YUMQZZPRSA-N 1 1 155.241 1.116 10 30 ADEEMO CN(C)c1ccc([C@@H]([NH3+])CC#N)cn1 238314187 573203731 /nfs/dbraw/zinc/20/37/31/573203731.db2.gz DWIQJCMAQAHOLZ-VIFPVBQESA-N 1 1 190.250 1.061 10 30 ADEEMO [NH3+][C@H](C=O)c1ccc(F)c(F)c1 259370659 573203742 /nfs/dbraw/zinc/20/37/42/573203742.db2.gz MSWYIOXLKZJXFB-MRVPVSSYSA-N 1 1 171.146 1.164 10 30 ADEEMO C=CC[NH2+]C(C#CC)C#CC 104704462 573203801 /nfs/dbraw/zinc/20/38/01/573203801.db2.gz TWQLQOIHQWWBSU-UHFFFAOYSA-N 1 1 147.221 1.177 10 30 ADEEMO CC[C@H](C)[N@H+]1CC[C@@H](N(C)CC#N)C1 259371275 573203813 /nfs/dbraw/zinc/20/38/13/573203813.db2.gz PNMZNVLQPANSGQ-WDEREUQCSA-N 1 1 195.310 1.315 10 30 ADEEMO CCS[C@@H](C)C[C@](C)([NH3+])C#N 82796996 573203876 /nfs/dbraw/zinc/20/38/76/573203876.db2.gz MHTUEKAMLJAYDE-YUMQZZPRSA-N 1 1 172.297 1.759 10 30 ADEEMO C[C@@H]1[C@@H](C#N)CC[N@@H+]1C[C@H]1CCCO1 259371369 573203951 /nfs/dbraw/zinc/20/39/51/573203951.db2.gz VIVNWGKXNYSDEX-GMTAPVOTSA-N 1 1 194.278 1.399 10 30 ADEEMO C[C@@H]1[C@@H](C#N)CC[N@H+]1C[C@H]1CCCO1 259371369 573203956 /nfs/dbraw/zinc/20/39/56/573203956.db2.gz VIVNWGKXNYSDEX-GMTAPVOTSA-N 1 1 194.278 1.399 10 30 ADEEMO Cc1[nH+]ccn1[C@H](C)C[C@@](C)(N)C#N 82802587 573204595 /nfs/dbraw/zinc/20/45/95/573204595.db2.gz ZEOVQKQQMUQSNQ-PSASIEDQSA-N 1 1 192.266 1.384 10 30 ADEEMO Cc1[nH+]ccn1[C@@H](C)C[C@@](C)(N)C#N 82802586 573203972 /nfs/dbraw/zinc/20/39/72/573203972.db2.gz ZEOVQKQQMUQSNQ-WCBMZHEXSA-N 1 1 192.266 1.384 10 30 ADEEMO CS[C@@H](C)C[C@](C)([NH3+])C#N 82797230 573204004 /nfs/dbraw/zinc/20/40/04/573204004.db2.gz UEPFBHLDBYUQRM-BQBZGAKWSA-N 1 1 158.270 1.369 10 30 ADEEMO CCS[C@H](C)C[C@](C)([NH3+])C#N 82796997 573204084 /nfs/dbraw/zinc/20/40/84/573204084.db2.gz MHTUEKAMLJAYDE-SFYZADRCSA-N 1 1 172.297 1.759 10 30 ADEEMO C=CCC[C@@](C)([NH2+]CC)C(=O)OC 132091260 573204222 /nfs/dbraw/zinc/20/42/22/573204222.db2.gz DQEUYGWWVFZSOB-SNVBAGLBSA-N 1 1 185.267 1.494 10 30 ADEEMO CC[C@H](C)[N@H+]1CC[C@H](N(C)CC#N)C1 259371273 573204331 /nfs/dbraw/zinc/20/43/31/573204331.db2.gz PNMZNVLQPANSGQ-QWRGUYRKSA-N 1 1 195.310 1.315 10 30 ADEEMO CCO[C@H](C)C[C@@](C)([NH3+])C#N 82796111 573204390 /nfs/dbraw/zinc/20/43/90/573204390.db2.gz NOLMYPXBRZJIRZ-HTQZYQBOSA-N 1 1 156.229 1.042 10 30 ADEEMO C=CCC[C@@](C)([NH2+]C)C(=O)OCC 132092266 573204442 /nfs/dbraw/zinc/20/44/42/573204442.db2.gz GOYKSCXUTHPRGQ-SNVBAGLBSA-N 1 1 185.267 1.494 10 30 ADEEMO CCS[C@H](C)C[C@@](C)([NH3+])C#N 82796999 573204458 /nfs/dbraw/zinc/20/44/58/573204458.db2.gz MHTUEKAMLJAYDE-HTQZYQBOSA-N 1 1 172.297 1.759 10 30 ADEEMO C[C@@H](C[C@](C)([NH3+])C#N)n1ccnc1 82802570 573206105 /nfs/dbraw/zinc/20/61/05/573206105.db2.gz VDCSHKXPSHXZSZ-IUCAKERBSA-N 1 1 178.239 1.075 10 30 ADEEMO CCO[C@@H](C)C[C@@](C)([NH3+])C#N 82796106 573206125 /nfs/dbraw/zinc/20/61/25/573206125.db2.gz NOLMYPXBRZJIRZ-JGVFFNPUSA-N 1 1 156.229 1.042 10 30 ADEEMO C=CCC[C@@](C)([NH2+]C)C(=O)OC 132091885 573207786 /nfs/dbraw/zinc/20/77/86/573207786.db2.gz FMLTVNPNDFJBIP-SECBINFHSA-N 1 1 171.240 1.104 10 30 ADEEMO C[C@H](O)C1CC[NH+](C[C@@H](C)C#N)CC1 235526800 573206355 /nfs/dbraw/zinc/20/63/55/573206355.db2.gz AIWXCBFRMLZPGZ-UWVGGRQHSA-N 1 1 196.294 1.239 10 30 ADEEMO CS[C@H](C)C[C@](C)([NH3+])C#N 82797231 573206421 /nfs/dbraw/zinc/20/64/21/573206421.db2.gz UEPFBHLDBYUQRM-RQJHMYQMSA-N 1 1 158.270 1.369 10 30 ADEEMO C=C([C@H](CN(C)C)[NH2+]C)C(F)(F)F 308239071 573206647 /nfs/dbraw/zinc/20/66/47/573206647.db2.gz XHKZVRIBKXONOC-ZETCQYMHSA-N 1 1 196.216 1.255 10 30 ADEEMO C[NH2+]CCCN=C(C)C 104708514 573206683 /nfs/dbraw/zinc/20/66/83/573206683.db2.gz RXYGCVZBMHJCNC-UHFFFAOYSA-N 1 1 128.219 1.077 10 30 ADEEMO C=CCC[C@@](C)([NH2+]CCC)C(=O)OC 132092877 573207657 /nfs/dbraw/zinc/20/76/57/573207657.db2.gz JJGZCJMDZCSYFN-LLVKDONJSA-N 1 1 199.294 1.884 10 30 ADEEMO C=CCC[C@](C)([NH2+]C)C(=O)OCC 132092459 573209584 /nfs/dbraw/zinc/20/95/84/573209584.db2.gz GOYKSCXUTHPRGQ-JTQLQIEISA-N 1 1 185.267 1.494 10 30 ADEEMO CC[C@@H](C#N)C[C@@H]1CC[N@@H+](C)C1 259372878 573210248 /nfs/dbraw/zinc/21/02/48/573210248.db2.gz MVQMYTFCKNUMMP-ZJUUUORDSA-N 1 1 166.268 1.878 10 30 ADEEMO C=CC[C@@H](C)[N@@H+]1CCN[C@H](CC)C1 252914010 573210775 /nfs/dbraw/zinc/21/07/75/573210775.db2.gz PRWFQTUKGCMNMV-GHMZBOCLSA-N 1 1 182.311 1.635 10 30 ADEEMO C=CC[C@@H](C)N1CC[NH2+][C@H](CC)C1 252914010 573210783 /nfs/dbraw/zinc/21/07/83/573210783.db2.gz PRWFQTUKGCMNMV-GHMZBOCLSA-N 1 1 182.311 1.635 10 30 ADEEMO CC[C@H](C#N)C[C@@H]1CC[N@@H+](C)C1 259372874 573210808 /nfs/dbraw/zinc/21/08/08/573210808.db2.gz MVQMYTFCKNUMMP-UWVGGRQHSA-N 1 1 166.268 1.878 10 30 ADEEMO CC[C@@H]1CCC[N@H+]1C[C@H](C)C=O 257758604 573211220 /nfs/dbraw/zinc/21/12/20/573211220.db2.gz JDWMDMJEGHNXHC-VHSXEESVSA-N 1 1 169.268 1.696 10 30 ADEEMO C#C[C@H](C)[NH2+]Cc1ccccc1C#N 235532479 573211377 /nfs/dbraw/zinc/21/13/77/573211377.db2.gz FVRAEILFMIQXSS-JTQLQIEISA-N 1 1 184.242 1.670 10 30 ADEEMO CC[C@H]([NH3+])c1cc(O)cc(C#N)c1O 238313843 573214676 /nfs/dbraw/zinc/21/46/76/573214676.db2.gz HBEFMEVOLLMZGI-VIFPVBQESA-N 1 1 192.218 1.379 10 30 ADEEMO C[N@H+]1CC[C@@H]([C@@H]2OC2(C)C)C1 259380231 573215748 /nfs/dbraw/zinc/21/57/48/573215748.db2.gz RCRHBXOYVZIOQA-SFYZADRCSA-N 1 1 155.241 1.116 10 30 ADEEMO C=CCC[N@H+](C)Cc1ncccc1N 308518054 573215776 /nfs/dbraw/zinc/21/57/76/573215776.db2.gz GFBSVBVXYRMQFI-UHFFFAOYSA-N 1 1 191.278 1.672 10 30 ADEEMO CC(C)[N@H+]1CC[C@H]([C@@H](F)C=O)C1 257973232 573215992 /nfs/dbraw/zinc/21/59/92/573215992.db2.gz YWKFTUCISVDNFJ-IUCAKERBSA-N 1 1 173.231 1.254 10 30 ADEEMO CC#CCCCC[NH2+]CCCN(C)C 308517505 573216170 /nfs/dbraw/zinc/21/61/70/573216170.db2.gz NJXXAXANDWRPOG-UHFFFAOYSA-N 1 1 196.338 1.721 10 30 ADEEMO CC(C)[N@H+]1CC[C@@H]([C@H](F)C=O)C1 257973234 573216363 /nfs/dbraw/zinc/21/63/63/573216363.db2.gz YWKFTUCISVDNFJ-RKDXNWHRSA-N 1 1 173.231 1.254 10 30 ADEEMO CC[C@@H](C#N)CN(C)[C@@H]1CC[N@@H+](C)C1 259036731 573216406 /nfs/dbraw/zinc/21/64/06/573216406.db2.gz QXCPYBBYMHGMPM-WDEREUQCSA-N 1 1 195.310 1.172 10 30 ADEEMO CC[C@@H](C#N)CN(C)[C@H]1CC[N@@H+](C)C1 259036730 573217618 /nfs/dbraw/zinc/21/76/18/573217618.db2.gz QXCPYBBYMHGMPM-QWRGUYRKSA-N 1 1 195.310 1.172 10 30 ADEEMO CC(C)(C)C[N@H+]1CCC[C@@H](C=O)C1 217981124 573217851 /nfs/dbraw/zinc/21/78/51/573217851.db2.gz SQBBLWDDCKDTKF-SNVBAGLBSA-N 1 1 183.295 1.943 10 30 ADEEMO C[N@H+]1CC[C@H](C=O)[C@@H]1c1ccccc1 238308434 573217901 /nfs/dbraw/zinc/21/79/01/573217901.db2.gz HOEGMQDEEJGMDY-NEPJUHHUSA-N 1 1 189.258 1.878 10 30 ADEEMO CCN[C@]1(C#N)CC[N@@H+]2CCCC[C@@H]21 123860427 573218629 /nfs/dbraw/zinc/21/86/29/573218629.db2.gz WHGAVAJWGAPHFI-MNOVXSKESA-N 1 1 193.294 1.116 10 30 ADEEMO CCN[C@]1(C#N)CC[N@H+]2CCCC[C@@H]21 123860427 573218635 /nfs/dbraw/zinc/21/86/35/573218635.db2.gz WHGAVAJWGAPHFI-MNOVXSKESA-N 1 1 193.294 1.116 10 30 ADEEMO C#CC(C)(C)N1CC[C@H]([NH2+]C)C[C@@H]1C 69681962 573220131 /nfs/dbraw/zinc/22/01/31/573220131.db2.gz YCPXPFMOBOKPSW-QWRGUYRKSA-N 1 1 194.322 1.471 10 30 ADEEMO C[C@H]([NH2+]Cc1cccn1C)[C@@H](C)C#N 308519229 573219614 /nfs/dbraw/zinc/21/96/14/573219614.db2.gz OAYTUCKTFCTWAE-UWVGGRQHSA-N 1 1 191.278 1.663 10 30 ADEEMO CCSCC[N@@H+]1CCC[C@@H](C#N)C1 129133496 573219784 /nfs/dbraw/zinc/21/97/84/573219784.db2.gz GMWGEUPOCVBHHO-JTQLQIEISA-N 1 1 198.335 1.975 10 30 ADEEMO CCSCC[N@H+]1CCC[C@@H](C#N)C1 129133496 573219790 /nfs/dbraw/zinc/21/97/90/573219790.db2.gz GMWGEUPOCVBHHO-JTQLQIEISA-N 1 1 198.335 1.975 10 30 ADEEMO C=C[C@H](C)[N@H+]1CC[C@H](COCC)C1 308317863 573220164 /nfs/dbraw/zinc/22/01/64/573220164.db2.gz YENVRUSYBMPTRY-QWRGUYRKSA-N 1 1 183.295 1.919 10 30 ADEEMO C[C@H](C#N)[C@H](C)[NH2+]Cc1cccn1C 308519233 573220254 /nfs/dbraw/zinc/22/02/54/573220254.db2.gz OAYTUCKTFCTWAE-ZJUUUORDSA-N 1 1 191.278 1.663 10 30 ADEEMO C=CC[C@H](C)[C@H]([NH2+]C)[C@H]1CCN(C)C1 715704380 573220456 /nfs/dbraw/zinc/22/04/56/573220456.db2.gz JLIAAUIZVXLDJH-SRVKXCTJSA-N 1 1 196.338 1.738 10 30 ADEEMO C=CCN(C1CC1)[C@@H](C)CC[NH2+]C 132129820 573221594 /nfs/dbraw/zinc/22/15/94/573221594.db2.gz PNBAKYDTHDAGEL-JTQLQIEISA-N 1 1 182.311 1.635 10 30 ADEEMO C=CC[C@H](C)[C@@H]([NH2+]C)[C@H]1CCN(C)C1 715704379 573221098 /nfs/dbraw/zinc/22/10/98/573221098.db2.gz JLIAAUIZVXLDJH-SDDRHHMPSA-N 1 1 196.338 1.738 10 30 ADEEMO C=CCN(C1CC1)[C@H](C)CC[NH2+]C 132130009 573221451 /nfs/dbraw/zinc/22/14/51/573221451.db2.gz PNBAKYDTHDAGEL-SNVBAGLBSA-N 1 1 182.311 1.635 10 30 ADEEMO C=CC[C@H](C)[C@H]([NH2+]C)[C@@H]1CCN(C)C1 715704381 573221776 /nfs/dbraw/zinc/22/17/76/573221776.db2.gz JLIAAUIZVXLDJH-TUAOUCFPSA-N 1 1 196.338 1.738 10 30 ADEEMO C=C(CC)C[N@H+]1CC[C@H](CO)[C@H]1C 308318390 573222136 /nfs/dbraw/zinc/22/21/36/573222136.db2.gz XCVDZNMVXGITOH-GHMZBOCLSA-N 1 1 183.295 1.655 10 30 ADEEMO C=C(CC)C[N@H+]1CC[C@H](CO)[C@@H]1C 308318393 573222238 /nfs/dbraw/zinc/22/22/38/573222238.db2.gz XCVDZNMVXGITOH-WDEREUQCSA-N 1 1 183.295 1.655 10 30 ADEEMO CCSCC[N@@H+]1CCC[C@H](C#N)C1 129133241 573222305 /nfs/dbraw/zinc/22/23/05/573222305.db2.gz GMWGEUPOCVBHHO-SNVBAGLBSA-N 1 1 198.335 1.975 10 30 ADEEMO CCSCC[N@H+]1CCC[C@H](C#N)C1 129133241 573222311 /nfs/dbraw/zinc/22/23/11/573222311.db2.gz GMWGEUPOCVBHHO-SNVBAGLBSA-N 1 1 198.335 1.975 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CC[C@@H](COCC)C1 308317853 573223855 /nfs/dbraw/zinc/22/38/55/573223855.db2.gz YENVRUSYBMPTRY-GHMZBOCLSA-N 1 1 183.295 1.919 10 30 ADEEMO C=C[C@H](C)[N@H+]1CC[C@@H](COCC)C1 308317864 573223820 /nfs/dbraw/zinc/22/38/20/573223820.db2.gz YENVRUSYBMPTRY-WDEREUQCSA-N 1 1 183.295 1.919 10 30 ADEEMO C=C(CC)C[N@H+]1CC[C@@H](CO)[C@@H]1C 308318392 573223601 /nfs/dbraw/zinc/22/36/01/573223601.db2.gz XCVDZNMVXGITOH-QWRGUYRKSA-N 1 1 183.295 1.655 10 30 ADEEMO [NH3+][C@H](C=O)c1ccc2c(c1)CCCC2 259381588 573223658 /nfs/dbraw/zinc/22/36/58/573223658.db2.gz NESOWHVDYVNNOC-GFCCVEGCSA-N 1 1 189.258 1.764 10 30 ADEEMO CN/C(=[NH+]/C)c1cnc(C)s1 238320952 573224571 /nfs/dbraw/zinc/22/45/71/573224571.db2.gz URZZWDQWZKNDQV-UHFFFAOYSA-N 1 1 169.253 1.047 10 30 ADEEMO N#C[C@@H]1CCC[N@@H+]([C@@H]2CCCOC2)C1 224844990 573224587 /nfs/dbraw/zinc/22/45/87/573224587.db2.gz PDRAXWBBGOGFLE-WDEREUQCSA-N 1 1 194.278 1.401 10 30 ADEEMO N#C[C@@H]1CCC[N@H+]([C@@H]2CCCOC2)C1 224844990 573224592 /nfs/dbraw/zinc/22/45/92/573224592.db2.gz PDRAXWBBGOGFLE-WDEREUQCSA-N 1 1 194.278 1.401 10 30 ADEEMO C[C@H]1C[C@@]([NH3+])(C#N)CC[C@H]1C 82837996 573224523 /nfs/dbraw/zinc/22/45/23/573224523.db2.gz HSIVHQLUXOUPOE-HRDYMLBCSA-N 1 1 152.241 1.664 10 30 ADEEMO CC[C@@H](C#N)C[NH2+]Cc1ccncc1 258595917 573226259 /nfs/dbraw/zinc/22/62/59/573226259.db2.gz GZUICQDGLJZQJF-JTQLQIEISA-N 1 1 189.262 1.721 10 30 ADEEMO C[C@@H]1C[N@H+](CC(C)(C)C=O)C[C@@H]1C 86012145 573226485 /nfs/dbraw/zinc/22/64/85/573226485.db2.gz KJKHOKJATHWZKI-AOOOYVTPSA-N 1 1 183.295 1.799 10 30 ADEEMO CC[C@H](C#N)[N@H+]1C[C@@H](C)[C@@H](C)C1 86009942 573227401 /nfs/dbraw/zinc/22/74/01/573227401.db2.gz ZSUUKEFTFDCXKQ-KXUCPTDWSA-N 1 1 166.268 1.876 10 30 ADEEMO CC[C@H](C#N)[N@@H+]1C[C@@H](C)[C@@H](C)C1 86009942 573227409 /nfs/dbraw/zinc/22/74/09/573227409.db2.gz ZSUUKEFTFDCXKQ-KXUCPTDWSA-N 1 1 166.268 1.876 10 30 ADEEMO C[N@H+]1CCC[C@H](C2(C#N)CC2)C1 259038981 573227444 /nfs/dbraw/zinc/22/74/44/573227444.db2.gz FJIUIIYUKBWVIO-VIFPVBQESA-N 1 1 164.252 1.632 10 30 ADEEMO C[N@H+]1CCC[C@@H](C2(C#N)CC2)C1 259038977 573227468 /nfs/dbraw/zinc/22/74/68/573227468.db2.gz FJIUIIYUKBWVIO-SECBINFHSA-N 1 1 164.252 1.632 10 30 ADEEMO C=CCC[N@H+](C)CC1(CC)COC1 308312221 573228179 /nfs/dbraw/zinc/22/81/79/573228179.db2.gz SCXQCMZRFUKZET-UHFFFAOYSA-N 1 1 183.295 1.921 10 30 ADEEMO CCC#C[C@H](C)[N@@H+](CC)C[C@@H](C)O 308311033 573228236 /nfs/dbraw/zinc/22/82/36/573228236.db2.gz RJYNBDKKCKVDCW-WDEREUQCSA-N 1 1 183.295 1.491 10 30 ADEEMO c1coc(C[N@@H+](C[C@H]2CO2)C2CC2)c1 42692986 573230614 /nfs/dbraw/zinc/23/06/14/573230614.db2.gz VGUYYOQIYNXZNG-NSHDSACASA-N 1 1 193.246 1.643 10 30 ADEEMO c1coc(C[N@H+](C[C@H]2CO2)C2CC2)c1 42692986 573230619 /nfs/dbraw/zinc/23/06/19/573230619.db2.gz VGUYYOQIYNXZNG-NSHDSACASA-N 1 1 193.246 1.643 10 30 ADEEMO C=CCC[N@H+]1CC(C)(C)C[C@H]1CO 308312882 573231077 /nfs/dbraw/zinc/23/10/77/573231077.db2.gz SPYCAGGLCXCCRE-JTQLQIEISA-N 1 1 183.295 1.655 10 30 ADEEMO OCC[C@@H]1CCC[N@H+]1CCC[C@@H]1CO1 308525631 573231121 /nfs/dbraw/zinc/23/11/21/573231121.db2.gz OYZAMZKNCDFYEF-WDEREUQCSA-N 1 1 199.294 1.012 10 30 ADEEMO Cc1cn2c([C@H](C)C#N)c(C)[nH+]c2[nH]1 259387121 573231342 /nfs/dbraw/zinc/23/13/42/573231342.db2.gz ADEJTUMZYYYAFT-ZCFIWIBFSA-N 1 1 188.234 1.906 10 30 ADEEMO Cc1nc2cc([C@@H]([NH3+])S)ccc2[nH]1 259385869 573231586 /nfs/dbraw/zinc/23/15/86/573231586.db2.gz LEJUJTRYTBXFEU-VIFPVBQESA-N 1 1 193.275 1.758 10 30 ADEEMO Cc1nc2cc([C@H]([NH3+])S)ccc2[nH]1 259385864 573231856 /nfs/dbraw/zinc/23/18/56/573231856.db2.gz LEJUJTRYTBXFEU-SECBINFHSA-N 1 1 193.275 1.758 10 30 ADEEMO Cc1cn2c([C@@H](C)C#N)c(C)[nH+]c2[nH]1 259387119 573232007 /nfs/dbraw/zinc/23/20/07/573232007.db2.gz ADEJTUMZYYYAFT-LURJTMIESA-N 1 1 188.234 1.906 10 30 ADEEMO C=C(C)[C@]1(O)CCC[N@H+](CC)CC1 86021323 573232029 /nfs/dbraw/zinc/23/20/29/573232029.db2.gz FAZDLUROBLOEBN-NSHDSACASA-N 1 1 183.295 1.799 10 30 ADEEMO OCC[C@H]1CCC[N@H+]1CCC[C@H]1CO1 308525627 573232086 /nfs/dbraw/zinc/23/20/86/573232086.db2.gz OYZAMZKNCDFYEF-MNOVXSKESA-N 1 1 199.294 1.012 10 30 ADEEMO CC[N@H+]1CCC[C@@H](CC#CC=O)C1 258239843 573232272 /nfs/dbraw/zinc/23/22/72/573232272.db2.gz PZTSYUOGQPXNRQ-LLVKDONJSA-N 1 1 179.263 1.311 10 30 ADEEMO OCC[C@H]1CCC[N@H+]1CCC[C@@H]1CO1 308525624 573233026 /nfs/dbraw/zinc/23/30/26/573233026.db2.gz OYZAMZKNCDFYEF-GHMZBOCLSA-N 1 1 199.294 1.012 10 30 ADEEMO C=C(C)[C@]1(O)CC[N@H+](C2CC2)C1 86018600 573233474 /nfs/dbraw/zinc/23/34/74/573233474.db2.gz USGGOCYJBVSYJR-JTQLQIEISA-N 1 1 167.252 1.162 10 30 ADEEMO CC(=O)C1=CC[C@H]2CC[C@@H]1C[N@@H+]2C 238323389 573233483 /nfs/dbraw/zinc/23/34/83/573233483.db2.gz QDSUGLOIGGFROZ-NXEZZACHSA-N 1 1 179.263 1.616 10 30 ADEEMO C=CC[C@@H]1CC[C@@H](O)C[N@@H+]1C 238322658 573233543 /nfs/dbraw/zinc/23/35/43/573233543.db2.gz GNMPQJXHUVYNHW-RKDXNWHRSA-N 1 1 155.241 1.018 10 30 ADEEMO C[C@H]1C[C@H](C)CC([NH3+])(C#N)C1 82849689 573234861 /nfs/dbraw/zinc/23/48/61/573234861.db2.gz UCALXWMHSCMMML-YUMQZZPRSA-N 1 1 152.241 1.664 10 30 ADEEMO CC(C)(C#N)C[N@H+]1CC[C@@H](CCO)C1 405090137 573237924 /nfs/dbraw/zinc/23/79/24/573237924.db2.gz PSGWICAJGUGZTA-JTQLQIEISA-N 1 1 196.294 1.240 10 30 ADEEMO C#CCC[N@H+](CC=C)[C@H]1CCOC1 308323787 573238207 /nfs/dbraw/zinc/23/82/07/573238207.db2.gz DHLFZWDKZNEWBJ-NSHDSACASA-N 1 1 179.263 1.287 10 30 ADEEMO C[C@H]1[C@H](C)CC[N@@H+]1CCO[C@H](C)C#N 308527469 573238486 /nfs/dbraw/zinc/23/84/86/573238486.db2.gz BKOVJEUWRSFOKK-MXWKQRLJSA-N 1 1 196.294 1.645 10 30 ADEEMO C=CCN1CCC[NH2+]CC[C@H]1C 259386822 573238571 /nfs/dbraw/zinc/23/85/71/573238571.db2.gz LNGHNNMPVUUWTP-SNVBAGLBSA-N 1 1 168.284 1.246 10 30 ADEEMO C#CC(C)(C)N1CC[C@@H]([NH2+]C)C[C@H]1C 69681951 573238572 /nfs/dbraw/zinc/23/85/72/573238572.db2.gz YCPXPFMOBOKPSW-GHMZBOCLSA-N 1 1 194.322 1.471 10 30 ADEEMO C=CCNC(=O)C(C)(C)[N@H+](C)CC 308324085 573240455 /nfs/dbraw/zinc/24/04/55/573240455.db2.gz DHUZWQAEOXETJW-UHFFFAOYSA-N 1 1 184.283 1.019 10 30 ADEEMO CC[N@H+](CCC(C)=O)C[C@H](C)C#N 50153081 573241111 /nfs/dbraw/zinc/24/11/11/573241111.db2.gz OOFJDWWEHDRSIP-SECBINFHSA-N 1 1 182.267 1.447 10 30 ADEEMO CC[N@@H+](CCC(C)=O)C[C@H](C)C#N 50153081 573241116 /nfs/dbraw/zinc/24/11/16/573241116.db2.gz OOFJDWWEHDRSIP-SECBINFHSA-N 1 1 182.267 1.447 10 30 ADEEMO C#CCCC[NH2+]Cc1ncccc1O 308522028 573241258 /nfs/dbraw/zinc/24/12/58/573241258.db2.gz UDQWNCZCYGEGCX-UHFFFAOYSA-N 1 1 190.246 1.290 10 30 ADEEMO C=CCC[C@@H](C)[N@H+]1CCC[C@H](O)C1 308320612 573241812 /nfs/dbraw/zinc/24/18/12/573241812.db2.gz AWZGEABQWICJIV-MNOVXSKESA-N 1 1 183.295 1.798 10 30 ADEEMO C[C@@H]1C[C@]1(C#N)[C@H]1CCC[N@@H+](C)C1 259045787 573242331 /nfs/dbraw/zinc/24/23/31/573242331.db2.gz UKKKCXSYBOPDDB-OUAUKWLOSA-N 1 1 178.279 1.878 10 30 ADEEMO C[C@@H]1C[C@@]1(C#N)[C@H]1CCC[N@@H+](C)C1 259045788 573244878 /nfs/dbraw/zinc/24/48/78/573244878.db2.gz UKKKCXSYBOPDDB-VWYCJHECSA-N 1 1 178.279 1.878 10 30 ADEEMO C=CCCC[N@@H+]1CC[C@@H](O)C1(C)C 308320392 573244903 /nfs/dbraw/zinc/24/49/03/573244903.db2.gz YDUBETVFGZWWNN-SNVBAGLBSA-N 1 1 183.295 1.798 10 30 ADEEMO N#C[C@]1([NH3+])CCC[C@H](C(F)(F)F)C1 82862947 573244945 /nfs/dbraw/zinc/24/49/45/573244945.db2.gz NPWXOMBPONGEPE-BQBZGAKWSA-N 1 1 192.184 1.960 10 30 ADEEMO C[C@@H]1C[C@]1(C#N)[C@@H]1CCC[N@@H+](C)C1 259045782 573245080 /nfs/dbraw/zinc/24/50/80/573245080.db2.gz UKKKCXSYBOPDDB-GMTAPVOTSA-N 1 1 178.279 1.878 10 30 ADEEMO N#C[C@@H](C[NH3+])c1cccc(F)c1 258606843 573245090 /nfs/dbraw/zinc/24/50/90/573245090.db2.gz OTRPEWQBAWZWNV-MRVPVSSYSA-N 1 1 164.183 1.392 10 30 ADEEMO N#CC1([NH3+])CCC(C(F)(F)F)CC1 82862612 573245277 /nfs/dbraw/zinc/24/52/77/573245277.db2.gz QPKOHQBZVWTYNX-UHFFFAOYSA-N 1 1 192.184 1.960 10 30 ADEEMO CC(=O)CC[N@@H+](CCC#N)C(C)C 50153462 573246199 /nfs/dbraw/zinc/24/61/99/573246199.db2.gz OXOSILMFFGMAMV-UHFFFAOYSA-N 1 1 182.267 1.590 10 30 ADEEMO CC(=O)CC[N@H+](CCC#N)C(C)C 50153462 573246200 /nfs/dbraw/zinc/24/62/00/573246200.db2.gz OXOSILMFFGMAMV-UHFFFAOYSA-N 1 1 182.267 1.590 10 30 ADEEMO CC(=O)CCC[N@H+](CCC#N)C(C)C 50153599 573246212 /nfs/dbraw/zinc/24/62/12/573246212.db2.gz FUKIRNBVNRIHEC-UHFFFAOYSA-N 1 1 196.294 1.980 10 30 ADEEMO CC(=O)CCC[N@@H+](CCC#N)C(C)C 50153599 573246213 /nfs/dbraw/zinc/24/62/13/573246213.db2.gz FUKIRNBVNRIHEC-UHFFFAOYSA-N 1 1 196.294 1.980 10 30 ADEEMO N#C[C@]1([NH3+])CCC[C@@H](C(F)(F)F)C1 82862948 573246243 /nfs/dbraw/zinc/24/62/43/573246243.db2.gz NPWXOMBPONGEPE-RQJHMYQMSA-N 1 1 192.184 1.960 10 30 ADEEMO C=C(C(=O)OC)[C@@H]1CCCC[N@H+]1C 258248312 573248105 /nfs/dbraw/zinc/24/81/05/573248105.db2.gz QMUWKPHOZODLTE-VIFPVBQESA-N 1 1 183.251 1.200 10 30 ADEEMO C=CC[C@H](C)[N@H+](C)CCC(=O)OCC 715732555 573248037 /nfs/dbraw/zinc/24/80/37/573248037.db2.gz KJMDMFXFCININP-JTQLQIEISA-N 1 1 199.294 1.836 10 30 ADEEMO C#CC(C)(C)N1CC[C@@H]([NH2+]C)C[C@@H]1C 69681955 573248218 /nfs/dbraw/zinc/24/82/18/573248218.db2.gz YCPXPFMOBOKPSW-WDEREUQCSA-N 1 1 194.322 1.471 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CC[C@@H](C(=O)OC)C1 715732565 573248641 /nfs/dbraw/zinc/24/86/41/573248641.db2.gz KJXSDUKUDYRXQU-NXEZZACHSA-N 1 1 197.278 1.446 10 30 ADEEMO C=C(CO)[C@H]1CCC[N@H+](C(C)C)C1 258246182 573248656 /nfs/dbraw/zinc/24/86/56/573248656.db2.gz QKCFCNDRXUCWBF-NSHDSACASA-N 1 1 183.295 1.655 10 30 ADEEMO C#CC[NH2+][C@]1(CN)CC(C)(C)C[C@@H]1C 235557329 573248736 /nfs/dbraw/zinc/24/87/36/573248736.db2.gz SFDISRQTUKFDDN-JQWIXIFHSA-N 1 1 194.322 1.363 10 30 ADEEMO N#C[C@@H](C[NH3+])c1ccc2ncoc2c1 259391783 573248935 /nfs/dbraw/zinc/24/89/35/573248935.db2.gz AMCBGTCUAFJGAV-MRVPVSSYSA-N 1 1 187.202 1.394 10 30 ADEEMO C=CC[N@@H+]1C[C@H](CO)CC1(C)C 259392014 573249110 /nfs/dbraw/zinc/24/91/10/573249110.db2.gz LTFXVIZHXGJJAP-SECBINFHSA-N 1 1 169.268 1.265 10 30 ADEEMO C#CC(C)(C)N1CC[C@H]([NH2+]C)C[C@H]1C 69681959 573249124 /nfs/dbraw/zinc/24/91/24/573249124.db2.gz YCPXPFMOBOKPSW-MNOVXSKESA-N 1 1 194.322 1.471 10 30 ADEEMO C=C(C(=O)OC)[C@H]1CCCC[N@H+]1C 258248310 573249896 /nfs/dbraw/zinc/24/98/96/573249896.db2.gz QMUWKPHOZODLTE-SECBINFHSA-N 1 1 183.251 1.200 10 30 ADEEMO C=CC[C@@H](C)[N@H+](C)CCC(=O)OCC 715732561 573250771 /nfs/dbraw/zinc/25/07/71/573250771.db2.gz KJMDMFXFCININP-SNVBAGLBSA-N 1 1 199.294 1.836 10 30 ADEEMO C=CC[C@@H]1CC[C@H](O)C[N@@H+]1C 238318478 573251448 /nfs/dbraw/zinc/25/14/48/573251448.db2.gz GNMPQJXHUVYNHW-BDAKNGLRSA-N 1 1 155.241 1.018 10 30 ADEEMO CC[C@@H]1CC[N@@H+](CCC[C@H]2CO2)C1 308328151 573252293 /nfs/dbraw/zinc/25/22/93/573252293.db2.gz IIJYBGMVYFFXJW-MNOVXSKESA-N 1 1 183.295 1.897 10 30 ADEEMO C=C(C[NH3+])C[N@@H+]1[C@H](C)CC[C@H]1CC 299967015 573252641 /nfs/dbraw/zinc/25/26/41/573252641.db2.gz UXYUFWUGXUZQEZ-GHMZBOCLSA-N 1 1 182.311 1.764 10 30 ADEEMO C=C(CN)C[N@H+]1[C@H](C)CC[C@H]1CC 299967015 573252647 /nfs/dbraw/zinc/25/26/47/573252647.db2.gz UXYUFWUGXUZQEZ-GHMZBOCLSA-N 1 1 182.311 1.764 10 30 ADEEMO C=C(CN)C[N@@H+]1[C@H](C)CC[C@H]1CC 299967015 573252652 /nfs/dbraw/zinc/25/26/52/573252652.db2.gz UXYUFWUGXUZQEZ-GHMZBOCLSA-N 1 1 182.311 1.764 10 30 ADEEMO C=C(CO)[C@@H]1CCCC[N@@H+]1C(C)C 258250944 573252981 /nfs/dbraw/zinc/25/29/81/573252981.db2.gz QRBABKOGISOULX-NSHDSACASA-N 1 1 183.295 1.798 10 30 ADEEMO C[N@H+]1CC[C@@H](C(F)(F)CCC#N)C1 259056644 573254340 /nfs/dbraw/zinc/25/43/40/573254340.db2.gz WDBMUWQEKBWUIQ-MRVPVSSYSA-N 1 1 188.221 1.877 10 30 ADEEMO C#CCN(CC)CC[N@@H+](C)CC=C 308328007 573254700 /nfs/dbraw/zinc/25/47/00/573254700.db2.gz GVIVJPISCDRAEG-UHFFFAOYSA-N 1 1 180.295 1.059 10 30 ADEEMO C#CC[N@@H+](CC)CCN(C)CC=C 308328007 573254711 /nfs/dbraw/zinc/25/47/11/573254711.db2.gz GVIVJPISCDRAEG-UHFFFAOYSA-N 1 1 180.295 1.059 10 30 ADEEMO N#Cc1cccc(F)c1C[NH2+]C1CC1 306591926 573255061 /nfs/dbraw/zinc/25/50/61/573255061.db2.gz YXVZYYKLOWQCHJ-UHFFFAOYSA-N 1 1 190.221 1.949 10 30 ADEEMO CC[C@@H]1CC[N@@H+](CCC[C@@H]2CO2)C1 308328150 573256192 /nfs/dbraw/zinc/25/61/92/573256192.db2.gz IIJYBGMVYFFXJW-GHMZBOCLSA-N 1 1 183.295 1.897 10 30 ADEEMO CC[C@H]1CC[N@@H+](CCC[C@@H]2CO2)C1 308328153 573256353 /nfs/dbraw/zinc/25/63/53/573256353.db2.gz IIJYBGMVYFFXJW-WDEREUQCSA-N 1 1 183.295 1.897 10 30 ADEEMO CC(=O)C1=CC[C@H]2CC[C@@H]1[N@@H+](C)C2 238319612 573256628 /nfs/dbraw/zinc/25/66/28/573256628.db2.gz MOTSSSLJPFNLRW-ONGXEEELSA-N 1 1 179.263 1.616 10 30 ADEEMO FCC[C@H]1CCC[N@@H+](CCS)C1 689940211 573257467 /nfs/dbraw/zinc/25/74/67/573257467.db2.gz VWQYUVGZEARVSR-SECBINFHSA-N 1 1 191.315 1.988 10 30 ADEEMO C[N@H+]1CC[C@H](C(F)(F)CCC#N)C1 259056645 573257623 /nfs/dbraw/zinc/25/76/23/573257623.db2.gz WDBMUWQEKBWUIQ-QMMMGPOBSA-N 1 1 188.221 1.877 10 30 ADEEMO CC[N@H+]1CCC[C@](CC=O)(OC)C1 257980731 573259406 /nfs/dbraw/zinc/25/94/06/573259406.db2.gz ZQSAMPKROKUIPY-SNVBAGLBSA-N 1 1 185.267 1.076 10 30 ADEEMO CC(C)([NH3+])c1cc(F)c(O)c(C#N)c1 257981532 573259519 /nfs/dbraw/zinc/25/95/19/573259519.db2.gz DTDNSLXOEHPRKA-UHFFFAOYSA-N 1 1 194.209 1.597 10 30 ADEEMO CC[N@H+]1CCC[C@@](CC=O)(OC)C1 257980729 573259640 /nfs/dbraw/zinc/25/96/40/573259640.db2.gz ZQSAMPKROKUIPY-JTQLQIEISA-N 1 1 185.267 1.076 10 30 ADEEMO CC[C@H](C#N)[C@H]([NH3+])c1ccncc1 259394014 573259675 /nfs/dbraw/zinc/25/96/75/573259675.db2.gz LNNXCNCXMPGHSR-SCZZXKLOSA-N 1 1 175.235 1.631 10 30 ADEEMO CC(C)(C#N)C[NH2+]Cc1ccc[nH]1 129209593 573259692 /nfs/dbraw/zinc/25/96/92/573259692.db2.gz BGWYLIDWTIZJSF-UHFFFAOYSA-N 1 1 177.251 1.654 10 30 ADEEMO C=CC[NH2+][C@@H](C)c1nnc(CC)[nH]1 308332890 573260319 /nfs/dbraw/zinc/26/03/19/573260319.db2.gz JRMKDJBCOMEIMK-ZETCQYMHSA-N 1 1 180.255 1.204 10 30 ADEEMO O=CCc1[nH+]cc2cccc(Cl)n12 258261786 573260085 /nfs/dbraw/zinc/26/00/85/573260085.db2.gz MKLXJZQMWSNWML-UHFFFAOYSA-N 1 1 194.621 1.729 10 30 ADEEMO CC[C@@H](C#N)[C@H]([NH3+])c1ccncc1 259394017 573260404 /nfs/dbraw/zinc/26/04/04/573260404.db2.gz LNNXCNCXMPGHSR-WPRPVWTQSA-N 1 1 175.235 1.631 10 30 ADEEMO CC[C@@H](C)ON=C1C[N@@H+](C)C[C@@H]1C 308332926 573260434 /nfs/dbraw/zinc/26/04/34/573260434.db2.gz JRRRKIRPQKFCFP-DTWKUNHWSA-N 1 1 184.283 1.739 10 30 ADEEMO CC[C@@H](C#N)[C@@H]([NH3+])c1ccncc1 259394015 573260608 /nfs/dbraw/zinc/26/06/08/573260608.db2.gz LNNXCNCXMPGHSR-WCBMZHEXSA-N 1 1 175.235 1.631 10 30 ADEEMO C=C[C@@](C)(CO)Cc1[nH+]ccn1C 689841396 573260739 /nfs/dbraw/zinc/26/07/39/573260739.db2.gz CXTOHMKYQLDRQB-SNVBAGLBSA-N 1 1 180.251 1.147 10 30 ADEEMO FCC[C@@H]1CCC[N@@H+](CCS)C1 689940214 573260825 /nfs/dbraw/zinc/26/08/25/573260825.db2.gz VWQYUVGZEARVSR-VIFPVBQESA-N 1 1 191.315 1.988 10 30 ADEEMO O=CCc1[nH+]cc2ccc(Cl)cn12 258264329 573261612 /nfs/dbraw/zinc/26/16/12/573261612.db2.gz MKUMVMYCRIJCHS-UHFFFAOYSA-N 1 1 194.621 1.729 10 30 ADEEMO Cn1cc[nH+]c1Cc1ccc(C#N)cc1 257984829 573261533 /nfs/dbraw/zinc/26/15/33/573261533.db2.gz FBNLUKYVAVQFHX-UHFFFAOYSA-N 1 1 197.241 1.883 10 30 ADEEMO C[C@H](O)C[C@H]1CCC[N@H+]1C[C@H](C)C#N 308530871 573261594 /nfs/dbraw/zinc/26/15/94/573261594.db2.gz CJRIPRLLAUTLEX-OUAUKWLOSA-N 1 1 196.294 1.381 10 30 ADEEMO C[C@H](O)C[C@H]1CCC[N@H+]1C[C@@H](C)C#N 308530869 573261901 /nfs/dbraw/zinc/26/19/01/573261901.db2.gz CJRIPRLLAUTLEX-GARJFASQSA-N 1 1 196.294 1.381 10 30 ADEEMO CC[C@H](C)ON=C1C[N@@H+](C)C[C@H]1C 308332924 573262119 /nfs/dbraw/zinc/26/21/19/573262119.db2.gz JRRRKIRPQKFCFP-BDAKNGLRSA-N 1 1 184.283 1.739 10 30 ADEEMO C=CCC[N@H+]1CC[C@@H](OCC=C)C1 308332216 573262346 /nfs/dbraw/zinc/26/23/46/573262346.db2.gz LLXQDCCADIJGTD-LLVKDONJSA-N 1 1 181.279 1.839 10 30 ADEEMO CC[N@@H+](CCO[C@H](C)C#N)CC(C)C 308530951 573262366 /nfs/dbraw/zinc/26/23/66/573262366.db2.gz CNEXQBOGOXUHBJ-LLVKDONJSA-N 1 1 198.310 1.893 10 30 ADEEMO C[C@H](O)C[C@@H]1CCC[N@H+]1C[C@@H](C)C#N 308530867 573263286 /nfs/dbraw/zinc/26/32/86/573263286.db2.gz CJRIPRLLAUTLEX-DCAQKATOSA-N 1 1 196.294 1.381 10 30 ADEEMO C=CC[N@H+]1CC[C@H](C#N)[C@H]1C 259398159 573263545 /nfs/dbraw/zinc/26/35/45/573263545.db2.gz XMJPQGPKSJYRSE-RKDXNWHRSA-N 1 1 150.225 1.406 10 30 ADEEMO C=CC[N@@H+]1CC[C@H](C#N)[C@H]1C 259398159 573263548 /nfs/dbraw/zinc/26/35/48/573263548.db2.gz XMJPQGPKSJYRSE-RKDXNWHRSA-N 1 1 150.225 1.406 10 30 ADEEMO Cc1c[nH]c(CCS)[nH+]1 259057346 573263652 /nfs/dbraw/zinc/26/36/52/573263652.db2.gz JGNDILGAITZAAO-UHFFFAOYSA-N 1 1 142.227 1.190 10 30 ADEEMO C=C(CC(=O)OC)[C@H]1CC[N@H+](CC)C1 258266909 573264406 /nfs/dbraw/zinc/26/44/06/573264406.db2.gz RPWXMDAQIXGYJR-JTQLQIEISA-N 1 1 197.278 1.448 10 30 ADEEMO C=CC[N@H+]1CC[C@@H](C#N)[C@@H]1C 259398157 573264643 /nfs/dbraw/zinc/26/46/43/573264643.db2.gz XMJPQGPKSJYRSE-IUCAKERBSA-N 1 1 150.225 1.406 10 30 ADEEMO C=CC[N@@H+]1CC[C@@H](C#N)[C@@H]1C 259398157 573264647 /nfs/dbraw/zinc/26/46/47/573264647.db2.gz XMJPQGPKSJYRSE-IUCAKERBSA-N 1 1 150.225 1.406 10 30 ADEEMO C[N@H+]1CCC[C@@H]1C[C@@H](F)C=O 258615993 573264767 /nfs/dbraw/zinc/26/47/67/573264767.db2.gz WIZRJDMSCZFGEO-HTQZYQBOSA-N 1 1 159.204 1.008 10 30 ADEEMO CC(C)(C)[N@@H+](CCO)C(C)(C)C=O 690032029 573264877 /nfs/dbraw/zinc/26/48/77/573264877.db2.gz LYSQUWYZWVMCQQ-UHFFFAOYSA-N 1 1 187.283 1.057 10 30 ADEEMO C[N@H+]1CCC[C@H]1C[C@@H](F)C=O 258616002 573265027 /nfs/dbraw/zinc/26/50/27/573265027.db2.gz WIZRJDMSCZFGEO-SFYZADRCSA-N 1 1 159.204 1.008 10 30 ADEEMO CC1=C2C[N@@H+](C)CC[C@@H]2CC1=O 238327258 573266065 /nfs/dbraw/zinc/26/60/65/573266065.db2.gz UKBWSCJZARUMTM-MRVPVSSYSA-N 1 1 165.236 1.227 10 30 ADEEMO C=CC[N@H+]1CC[C@H](C#N)[C@@H]1C 259398155 573266143 /nfs/dbraw/zinc/26/61/43/573266143.db2.gz XMJPQGPKSJYRSE-DTWKUNHWSA-N 1 1 150.225 1.406 10 30 ADEEMO C=CC[N@@H+]1CC[C@H](C#N)[C@@H]1C 259398155 573266146 /nfs/dbraw/zinc/26/61/46/573266146.db2.gz XMJPQGPKSJYRSE-DTWKUNHWSA-N 1 1 150.225 1.406 10 30 ADEEMO C=CCC[N@H+](C)Cc1ccc(N)cn1 308533134 573266336 /nfs/dbraw/zinc/26/63/36/573266336.db2.gz KRVFDVYRTPFWLA-UHFFFAOYSA-N 1 1 191.278 1.672 10 30 ADEEMO C=C(C)CN=NC1C[C@@H](C)[N@H+](C)C1 308336279 573266377 /nfs/dbraw/zinc/26/63/77/573266377.db2.gz ODLIPYQDIKCZBQ-SECBINFHSA-N 1 1 181.283 1.232 10 30 ADEEMO C=CC[N@H+]1CC[C@@H](C#N)[C@H]1C 259398152 573266586 /nfs/dbraw/zinc/26/65/86/573266586.db2.gz XMJPQGPKSJYRSE-BDAKNGLRSA-N 1 1 150.225 1.406 10 30 ADEEMO C=CC[N@@H+]1CC[C@@H](C#N)[C@H]1C 259398152 573266590 /nfs/dbraw/zinc/26/65/90/573266590.db2.gz XMJPQGPKSJYRSE-BDAKNGLRSA-N 1 1 150.225 1.406 10 30 ADEEMO C=C(C)CN=NC1C[C@H](C)[N@H+](C)C1 308336280 573266637 /nfs/dbraw/zinc/26/66/37/573266637.db2.gz ODLIPYQDIKCZBQ-VIFPVBQESA-N 1 1 181.283 1.232 10 30 ADEEMO N#C[C@@]1(CCCCCCO)CCC[NH2+]1 308532102 573266708 /nfs/dbraw/zinc/26/67/08/573266708.db2.gz LAMAAAGOKJIKBM-LLVKDONJSA-N 1 1 196.294 1.575 10 30 ADEEMO C=CC[NH2+][C@H](C)c1nnc(CC)[nH]1 308332888 573267095 /nfs/dbraw/zinc/26/70/95/573267095.db2.gz JRMKDJBCOMEIMK-SSDOTTSWSA-N 1 1 180.255 1.204 10 30 ADEEMO C#CCCC[N@@H+](CC#C)CC1CC1 308341608 573267548 /nfs/dbraw/zinc/26/75/48/573267548.db2.gz RHRDOBJUHPRMHP-UHFFFAOYSA-N 1 1 175.275 1.745 10 30 ADEEMO C=C(CC(=O)OC)[C@@H]1CC[N@H+](CC)C1 258266913 573267599 /nfs/dbraw/zinc/26/75/99/573267599.db2.gz RPWXMDAQIXGYJR-SNVBAGLBSA-N 1 1 197.278 1.448 10 30 ADEEMO C[N@H+]1CCC[C@@H]1C[C@H](F)C=O 258615996 573268078 /nfs/dbraw/zinc/26/80/78/573268078.db2.gz WIZRJDMSCZFGEO-JGVFFNPUSA-N 1 1 159.204 1.008 10 30 ADEEMO C[C@H]([NH2+]CCCC#N)c1ccon1 308338105 573269394 /nfs/dbraw/zinc/26/93/94/573269394.db2.gz PCQUTZPAJJVUOP-QMMMGPOBSA-N 1 1 179.223 1.629 10 30 ADEEMO C=C(CC(=O)OC)[C@H]1CCC[N@@H+](C)C1 258269180 573269474 /nfs/dbraw/zinc/26/94/74/573269474.db2.gz RUMXJHFRJAMZRH-JTQLQIEISA-N 1 1 197.278 1.448 10 30 ADEEMO N#C[C@]1(CCCCCCO)CCC[NH2+]1 308532103 573269741 /nfs/dbraw/zinc/26/97/41/573269741.db2.gz LAMAAAGOKJIKBM-NSHDSACASA-N 1 1 196.294 1.575 10 30 ADEEMO C=C(CC(=O)OC)[C@@H]1CCC[N@@H+](C)C1 258269182 573272633 /nfs/dbraw/zinc/27/26/33/573272633.db2.gz RUMXJHFRJAMZRH-SNVBAGLBSA-N 1 1 197.278 1.448 10 30 ADEEMO C=CCC[C@@H](C)[N@H+](C)[C@@H](C)CN 308365010 573272688 /nfs/dbraw/zinc/27/26/88/573272688.db2.gz HCIBFBAMFUZHKJ-ZJUUUORDSA-N 1 1 170.300 1.620 10 30 ADEEMO C=CCC[C@@H](C)N(C)[C@@H](C)C[NH3+] 308365010 573272695 /nfs/dbraw/zinc/27/26/95/573272695.db2.gz HCIBFBAMFUZHKJ-ZJUUUORDSA-N 1 1 170.300 1.620 10 30 ADEEMO C[C@H](C[NH3+])c1cc(F)c(O)c(C#N)c1 257989229 573272788 /nfs/dbraw/zinc/27/27/88/573272788.db2.gz FHLXEAGYEKHGCC-ZCFIWIBFSA-N 1 1 194.209 1.465 10 30 ADEEMO CC[C@H](C)N[C@]1(C#N)CCC[NH2+]C1 86161494 573275716 /nfs/dbraw/zinc/27/57/16/573275716.db2.gz WEBKMTKBMPHMOW-UWVGGRQHSA-N 1 1 181.283 1.020 10 30 ADEEMO CC[C@@H](C)N[C@]1(C#N)CCC[NH2+]C1 86161493 573279854 /nfs/dbraw/zinc/27/98/54/573279854.db2.gz WEBKMTKBMPHMOW-ZJUUUORDSA-N 1 1 181.283 1.020 10 30 ADEEMO CC[C@H](C)[N@H+]1CCC[C@@H](NCC#N)C1 259399565 573278806 /nfs/dbraw/zinc/27/88/06/573278806.db2.gz RJGFZIGKXUCQJY-WDEREUQCSA-N 1 1 195.310 1.362 10 30 ADEEMO COc1cc(C#N)cn2c[nH+]cc12 238330823 573278209 /nfs/dbraw/zinc/27/82/09/573278209.db2.gz ZJLHENWBXIGOTE-UHFFFAOYSA-N 1 1 173.175 1.215 10 30 ADEEMO CC[C@H](C)N[C@@]1(C#N)CCC[NH2+]C1 86161496 573278564 /nfs/dbraw/zinc/27/85/64/573278564.db2.gz WEBKMTKBMPHMOW-VHSXEESVSA-N 1 1 181.283 1.020 10 30 ADEEMO N#C[C@@]1(NC2CCCC2)CCC[NH2+]C1 86161479 573278666 /nfs/dbraw/zinc/27/86/66/573278666.db2.gz LSOVSNJJVHMWIM-NSHDSACASA-N 1 1 193.294 1.164 10 30 ADEEMO C[C@H](C#N)[C@@]1(O)CC[N@H+]2CCCC[C@@H]21 123962732 573280506 /nfs/dbraw/zinc/28/05/06/573280506.db2.gz JWKSSQNDWLGVBB-MXWKQRLJSA-N 1 1 194.278 1.135 10 30 ADEEMO CCC(CC)[N@@H+](C)CC=O 105789467 573281426 /nfs/dbraw/zinc/28/14/26/573281426.db2.gz DVWSHQWLBYCBRH-UHFFFAOYSA-N 1 1 143.230 1.306 10 30 ADEEMO C=CCNc1cc[nH+]c(N(C)C)n1 82924304 573282346 /nfs/dbraw/zinc/28/23/46/573282346.db2.gz MJPXIVVJFIBAFV-UHFFFAOYSA-N 1 1 178.239 1.141 10 30 ADEEMO C[N@H+]1CC[C@@H](c2ncsc2C#N)C1 259403789 573282394 /nfs/dbraw/zinc/28/23/94/573282394.db2.gz XPUFBFFCQAVVNJ-SSDOTTSWSA-N 1 1 193.275 1.434 10 30 ADEEMO C[C@H](C#N)[C@]1(O)CC[N@H+]2CCCC[C@@H]21 123962265 573282441 /nfs/dbraw/zinc/28/24/41/573282441.db2.gz JWKSSQNDWLGVBB-GMTAPVOTSA-N 1 1 194.278 1.135 10 30 ADEEMO C[N@H+]1CC[C@H](F)[C@@H](CC#N)C1 259604769 573282534 /nfs/dbraw/zinc/28/25/34/573282534.db2.gz FOOQPHMSHJMMHG-YUMQZZPRSA-N 1 1 156.204 1.190 10 30 ADEEMO C=CCO[C@H](C)C[NH2+]Cc1c[nH]cn1 308539482 573282582 /nfs/dbraw/zinc/28/25/82/573282582.db2.gz MDSYNJQWMKCOKZ-SECBINFHSA-N 1 1 195.266 1.090 10 30 ADEEMO C#CC[NH2+]Cc1cn2ccsc2n1 105971863 573287036 /nfs/dbraw/zinc/28/70/36/573287036.db2.gz MPCGNYIOZWRPJE-UHFFFAOYSA-N 1 1 191.259 1.119 10 30 ADEEMO N#CCC[N@@H+](CCC[C@@H]1CO1)C1CC1 308533793 573282793 /nfs/dbraw/zinc/28/27/93/573282793.db2.gz RHWNSPWAUJBWCK-LLVKDONJSA-N 1 1 194.278 1.543 10 30 ADEEMO CCO[C@H]1CC[N@@H+](C)C[C@@H]1CC#N 259402944 573282890 /nfs/dbraw/zinc/28/28/90/573282890.db2.gz BRTVWKOTOLFDLN-UWVGGRQHSA-N 1 1 182.267 1.257 10 30 ADEEMO CC[C@H](C)[N@@H+](CC)CC=O 105789448 573282902 /nfs/dbraw/zinc/28/29/02/573282902.db2.gz CLWMCUWGCNBPRA-QMMMGPOBSA-N 1 1 143.230 1.306 10 30 ADEEMO C[N@H+]1CC[C@H](F)[C@H](CC#N)C1 259604764 573283147 /nfs/dbraw/zinc/28/31/47/573283147.db2.gz FOOQPHMSHJMMHG-SFYZADRCSA-N 1 1 156.204 1.190 10 30 ADEEMO C=CC[N@@H+]1CC[C@@H](CO)C1(C)C 259402505 573283390 /nfs/dbraw/zinc/28/33/90/573283390.db2.gz MIFLGQGMSBDMJY-VIFPVBQESA-N 1 1 169.268 1.265 10 30 ADEEMO C[N@H+]1CCC[C@H](C(=O)C(C)(C)C#N)C1 259067053 573287458 /nfs/dbraw/zinc/28/74/58/573287458.db2.gz DEOZPDBITVQMNH-VIFPVBQESA-N 1 1 194.278 1.447 10 30 ADEEMO CC[C@H](C#N)CNC[C@H]1CC[N@@H+](C)C1 259067546 573284086 /nfs/dbraw/zinc/28/40/86/573284086.db2.gz UEDQXQGSPDRJDN-GHMZBOCLSA-N 1 1 195.310 1.077 10 30 ADEEMO CCC[C@](C)(C=O)C[NH+]1CC(OC)C1 308538860 573285774 /nfs/dbraw/zinc/28/57/74/573285774.db2.gz NEHCQTCMIJMJPH-NSHDSACASA-N 1 1 199.294 1.322 10 30 ADEEMO C[N@H+]1CCC[C@H]1/C=C\CC=O 258280067 573285788 /nfs/dbraw/zinc/28/57/88/573285788.db2.gz SNWAKOLLRGBRCC-JHYPKJRRSA-N 1 1 153.225 1.226 10 30 ADEEMO C=CC[N@@H+]1CC[C@H](CO)C1(C)C 259402501 573285875 /nfs/dbraw/zinc/28/58/75/573285875.db2.gz MIFLGQGMSBDMJY-SECBINFHSA-N 1 1 169.268 1.265 10 30 ADEEMO C=CC[N@H+](CCC)[C@@H](CC)CN 132293534 573286791 /nfs/dbraw/zinc/28/67/91/573286791.db2.gz JNSDHKPJQAIYGI-JTQLQIEISA-N 1 1 170.300 1.622 10 30 ADEEMO C=CCN(CCC)[C@@H](CC)C[NH3+] 132293534 573286796 /nfs/dbraw/zinc/28/67/96/573286796.db2.gz JNSDHKPJQAIYGI-JTQLQIEISA-N 1 1 170.300 1.622 10 30 ADEEMO C[N@H+]1CCC[C@@H]1/C=C\CC=O 258280065 573286825 /nfs/dbraw/zinc/28/68/25/573286825.db2.gz SNWAKOLLRGBRCC-ANTNXHBISA-N 1 1 153.225 1.226 10 30 ADEEMO C[N@H+]1CCC[C@@H]1C/C=C\CC=O 258280013 573287079 /nfs/dbraw/zinc/28/70/79/573287079.db2.gz SMOSOFNEJSNAQV-ZMWSMAPVSA-N 1 1 167.252 1.616 10 30 ADEEMO C[N@H+]1CCC[C@H](CCS)C1 259068984 573287169 /nfs/dbraw/zinc/28/71/69/573287169.db2.gz GTXQEHQQRXAVDB-MRVPVSSYSA-N 1 1 159.298 1.648 10 30 ADEEMO CC[N@@H+](C/C=C\CS)C1CC1 211638468 573288750 /nfs/dbraw/zinc/28/87/50/573288750.db2.gz OWNPQHAFULEOGL-ARJAWSKDSA-N 1 1 171.309 1.957 10 30 ADEEMO C=C[C@@H](C)N1CCC[C@@H](C[NH2+]CC)C1 224889296 573288847 /nfs/dbraw/zinc/28/88/47/573288847.db2.gz VRBKVVWHCCYOML-NEPJUHHUSA-N 1 1 196.338 1.882 10 30 ADEEMO C#CCCC[N@H+](CCC)[C@H]1CCOC1 308541586 573288855 /nfs/dbraw/zinc/28/88/55/573288855.db2.gz UIOJFWZFCLWHKK-LBPRGKRZSA-N 1 1 195.306 1.901 10 30 ADEEMO C#CC[N@@H+](CCCCC#N)C1CC1 393581190 573289009 /nfs/dbraw/zinc/28/90/09/573289009.db2.gz HYIKUTIUYXJYAF-UHFFFAOYSA-N 1 1 176.263 1.778 10 30 ADEEMO C=CC[N@H+]1CC[C@H](CO)C(C)(C)C1 259405831 573289095 /nfs/dbraw/zinc/28/90/95/573289095.db2.gz YEEPUJZQTOZTKQ-SNVBAGLBSA-N 1 1 183.295 1.513 10 30 ADEEMO C[N@H+]1CCC[C@@H](CCS)C1 259068988 573289264 /nfs/dbraw/zinc/28/92/64/573289264.db2.gz GTXQEHQQRXAVDB-QMMMGPOBSA-N 1 1 159.298 1.648 10 30 ADEEMO N#Cc1c(Cl)sc2c1C[NH2+]CC2 259404330 573289426 /nfs/dbraw/zinc/28/94/26/573289426.db2.gz QXALUYJLZYXHGI-UHFFFAOYSA-N 1 1 198.678 1.919 10 30 ADEEMO C=CC[N@H+](CCC)[C@H](CC)CN 132293736 573290383 /nfs/dbraw/zinc/29/03/83/573290383.db2.gz JNSDHKPJQAIYGI-SNVBAGLBSA-N 1 1 170.300 1.622 10 30 ADEEMO C=CCN(CCC)[C@H](CC)C[NH3+] 132293736 573290386 /nfs/dbraw/zinc/29/03/86/573290386.db2.gz JNSDHKPJQAIYGI-SNVBAGLBSA-N 1 1 170.300 1.622 10 30 ADEEMO C[C@@H](C[NH3+])c1cc(F)c(O)c(C#N)c1 257989226 573290398 /nfs/dbraw/zinc/29/03/98/573290398.db2.gz FHLXEAGYEKHGCC-LURJTMIESA-N 1 1 194.209 1.465 10 30 ADEEMO CC[C@H](C#N)[C@H]([NH2+]C)c1cc[nH]c1 259406205 573291348 /nfs/dbraw/zinc/29/13/48/573291348.db2.gz XGXFDTRYQQNTGS-SCZZXKLOSA-N 1 1 177.251 1.825 10 30 ADEEMO C[N@H+]1CCC[C@@H]([C@]2(C)CO2)C1 259404148 573292140 /nfs/dbraw/zinc/29/21/40/573292140.db2.gz SHBUIJUKLKXPHG-BDAKNGLRSA-N 1 1 155.241 1.117 10 30 ADEEMO C[N@H+]1CCC[C@H]([C@@]2(C)CO2)C1 259404153 573292184 /nfs/dbraw/zinc/29/21/84/573292184.db2.gz SHBUIJUKLKXPHG-DTWKUNHWSA-N 1 1 155.241 1.117 10 30 ADEEMO C=C(COCC)[C@]1(O)CC[N@@H+](CC)C1 387548507 573292196 /nfs/dbraw/zinc/29/21/96/573292196.db2.gz RYZXUCQYUBZBHK-NSHDSACASA-N 1 1 199.294 1.036 10 30 ADEEMO CC[C@H](C#N)[C@@H]([NH2+]C)c1cc[nH]c1 259406204 573292327 /nfs/dbraw/zinc/29/23/27/573292327.db2.gz XGXFDTRYQQNTGS-PSASIEDQSA-N 1 1 177.251 1.825 10 30 ADEEMO C=CC[C@@H](C)[C@@H]([NH3+])C(C)(C)N(C)C 715758560 573292578 /nfs/dbraw/zinc/29/25/78/573292578.db2.gz RULAPZLHYXAVCD-NXEZZACHSA-N 1 1 184.327 1.866 10 30 ADEEMO C=CC[C@H](C)[C@H]([NH3+])C(C)(C)N(C)C 715758566 573295077 /nfs/dbraw/zinc/29/50/77/573295077.db2.gz RULAPZLHYXAVCD-UWVGGRQHSA-N 1 1 184.327 1.866 10 30 ADEEMO Cc1ccc(C)c([C@H]([NH3+])C=O)c1 259407068 573295159 /nfs/dbraw/zinc/29/51/59/573295159.db2.gz OIZKUPYTUJBICR-SNVBAGLBSA-N 1 1 163.220 1.502 10 30 ADEEMO Cc1ccc(C)c([C@@H]([NH3+])C=O)c1 259407062 573296189 /nfs/dbraw/zinc/29/61/89/573296189.db2.gz OIZKUPYTUJBICR-JTQLQIEISA-N 1 1 163.220 1.502 10 30 ADEEMO CO/N=C/[C@@H]1Cc2ccccc2C[NH2+]1 238336047 573296314 /nfs/dbraw/zinc/29/63/14/573296314.db2.gz MAQKIJMYGSIQST-ZWSXMNCCSA-N 1 1 190.246 1.333 10 30 ADEEMO C[N@H+]1CC[C@H]([C@@H]2C[C@H]2C#N)C1 259075086 573297297 /nfs/dbraw/zinc/29/72/97/573297297.db2.gz IABDORMNKVBYRL-CIUDSAMLSA-N 1 1 150.225 1.098 10 30 ADEEMO CC(C)[N@H+]1CCC[C@@H](CC#CCO)C1 257998747 573297503 /nfs/dbraw/zinc/29/75/03/573297503.db2.gz AGEAMDFMPOVCQK-GFCCVEGCSA-N 1 1 195.306 1.493 10 30 ADEEMO CC#CC[NH2+][C@H](CC)c1nccn1C 132348911 573300624 /nfs/dbraw/zinc/30/06/24/573300624.db2.gz CYEHSGWFDDUXLE-SNVBAGLBSA-N 1 1 191.278 1.484 10 30 ADEEMO CCCCC[N@@H+](C)CC1(C#N)COC1 259075180 573301878 /nfs/dbraw/zinc/30/18/78/573301878.db2.gz UTTYQQNRQXAVDW-UHFFFAOYSA-N 1 1 196.294 1.649 10 30 ADEEMO C=C(C)C[N@H+]1CC[C@@H](OC(F)F)C1 308342496 573300567 /nfs/dbraw/zinc/30/05/67/573300567.db2.gz RSULNBABIPXFHB-MRVPVSSYSA-N 1 1 191.221 1.876 10 30 ADEEMO CC1(C)C[N@@H+](CCC[C@@H]2CO2)CCO1 308548284 573299528 /nfs/dbraw/zinc/29/95/28/573299528.db2.gz WNWVYZZFRVBHLC-SNVBAGLBSA-N 1 1 199.294 1.276 10 30 ADEEMO C=CC[C@H]1CC2(CC[N@@H+]1C)OCCO2 238335481 573299754 /nfs/dbraw/zinc/29/97/54/573299754.db2.gz MNYSPLBTORUQIP-JTQLQIEISA-N 1 1 197.278 1.400 10 30 ADEEMO C[N@H+]1CC[C@H](CCCC#N)C1 259073189 573299765 /nfs/dbraw/zinc/29/97/65/573299765.db2.gz HGJYUFQNZAFIGV-VIFPVBQESA-N 1 1 152.241 1.632 10 30 ADEEMO CC[C@H](C#N)C[NH2+]Cc1ccc[nH]1 259075301 573300181 /nfs/dbraw/zinc/30/01/81/573300181.db2.gz UVXIQNQSHSNLQO-SECBINFHSA-N 1 1 177.251 1.654 10 30 ADEEMO C[N@@H+](CCCF)CC1(CS)CC1 716700912 573300207 /nfs/dbraw/zinc/30/02/07/573300207.db2.gz DYAWPYSQOVEHSP-UHFFFAOYSA-N 1 1 191.315 1.988 10 30 ADEEMO C[N@H+]1CC[C@@H](CCCC#N)C1 259073186 573300508 /nfs/dbraw/zinc/30/05/08/573300508.db2.gz HGJYUFQNZAFIGV-SECBINFHSA-N 1 1 152.241 1.632 10 30 ADEEMO C=CCOCC[NH2+]Cc1c[nH]c(C)n1 308547553 573301000 /nfs/dbraw/zinc/30/10/00/573301000.db2.gz OOGZTXPHVMTAEW-UHFFFAOYSA-N 1 1 195.266 1.010 10 30 ADEEMO C[N@H+]1CC[C@H]([C@@H]2C[C@@H]2C#N)C1 259076865 573304029 /nfs/dbraw/zinc/30/40/29/573304029.db2.gz IABDORMNKVBYRL-YIZRAAEISA-N 1 1 150.225 1.098 10 30 ADEEMO C=CCC[C@@H](C)[N@@H+](C)[C@@H](C)C(N)=O 308342681 573304208 /nfs/dbraw/zinc/30/42/08/573304208.db2.gz RYXMSBDEIQJSPR-BDAKNGLRSA-N 1 1 184.283 1.147 10 30 ADEEMO C=CCC[C@H](C)[N@@H+](C)[C@H](C)C(N)=O 308342682 573304299 /nfs/dbraw/zinc/30/42/99/573304299.db2.gz RYXMSBDEIQJSPR-DTWKUNHWSA-N 1 1 184.283 1.147 10 30 ADEEMO C=CCC[C@H](C)[N@@H+](C)[C@@H](C)C(N)=O 308342683 573304414 /nfs/dbraw/zinc/30/44/14/573304414.db2.gz RYXMSBDEIQJSPR-IUCAKERBSA-N 1 1 184.283 1.147 10 30 ADEEMO CC[N@H+](CC(C)(C)C)C[C@](C)(N)C#N 308544149 573305038 /nfs/dbraw/zinc/30/50/38/573305038.db2.gz UZKGZWAJYFBFKC-LLVKDONJSA-N 1 1 197.326 1.595 10 30 ADEEMO CC[N@@H+](CC(C)(C)C)C[C@](C)(N)C#N 308544149 573305047 /nfs/dbraw/zinc/30/50/47/573305047.db2.gz UZKGZWAJYFBFKC-LLVKDONJSA-N 1 1 197.326 1.595 10 30 ADEEMO C[N@H+]1CC[C@@H]([C@H](C#N)c2cc[nH]c2)C1 259078623 573305122 /nfs/dbraw/zinc/30/51/22/573305122.db2.gz IHMWSXPMGKSYQD-GHMZBOCLSA-N 1 1 189.262 1.574 10 30 ADEEMO C=CCC[C@@H](C)[N@H+]1CCN[C@@H](C)C1 308543650 573305190 /nfs/dbraw/zinc/30/51/90/573305190.db2.gz MJKUOTJGXQDZAA-WDEREUQCSA-N 1 1 182.311 1.635 10 30 ADEEMO C=CCC[C@@H](C)N1CC[NH2+][C@@H](C)C1 308543650 573305197 /nfs/dbraw/zinc/30/51/97/573305197.db2.gz MJKUOTJGXQDZAA-WDEREUQCSA-N 1 1 182.311 1.635 10 30 ADEEMO C[N@H+]1CC[C@H]([C@H](C#N)c2cc[nH]c2)C1 259078636 573306813 /nfs/dbraw/zinc/30/68/13/573306813.db2.gz IHMWSXPMGKSYQD-WDEREUQCSA-N 1 1 189.262 1.574 10 30 ADEEMO C[N@H+]1CC[C@@H]([C@@H](C#N)c2cc[nH]c2)C1 259078628 573306438 /nfs/dbraw/zinc/30/64/38/573306438.db2.gz IHMWSXPMGKSYQD-MNOVXSKESA-N 1 1 189.262 1.574 10 30 ADEEMO C=CC[N@H+](CCO)CC1(C)CCC1 308342672 573306481 /nfs/dbraw/zinc/30/64/81/573306481.db2.gz RYIOVBDHFBFDPK-UHFFFAOYSA-N 1 1 183.295 1.657 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCC[C@@H](C(C)=O)C1 224869297 573306694 /nfs/dbraw/zinc/30/66/94/573306694.db2.gz PANSVJYHWCSACM-GXSJLCMTSA-N 1 1 181.279 1.862 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCC[C@@H](C(C)=O)C1 224869257 573307225 /nfs/dbraw/zinc/30/72/25/573307225.db2.gz PANSVJYHWCSACM-MWLCHTKSSA-N 1 1 181.279 1.862 10 30 ADEEMO CC#CCNC1(C[NH+](C)C)CCC1 308342639 573307396 /nfs/dbraw/zinc/30/73/96/573307396.db2.gz RWLXCHSZIVAZPH-UHFFFAOYSA-N 1 1 180.295 1.084 10 30 ADEEMO CC[N@H+](CC(C)(C)C)C[C@@](C)(N)C#N 308544151 573309175 /nfs/dbraw/zinc/30/91/75/573309175.db2.gz UZKGZWAJYFBFKC-NSHDSACASA-N 1 1 197.326 1.595 10 30 ADEEMO CC[N@@H+](CC(C)(C)C)C[C@@](C)(N)C#N 308544151 573309180 /nfs/dbraw/zinc/30/91/80/573309180.db2.gz UZKGZWAJYFBFKC-NSHDSACASA-N 1 1 197.326 1.595 10 30 ADEEMO COc1c(C#N)ccn2c[nH+]cc12 238344974 573309387 /nfs/dbraw/zinc/30/93/87/573309387.db2.gz DFVVYJMLHAKTPI-UHFFFAOYSA-N 1 1 173.175 1.215 10 30 ADEEMO Cc1nc2cc([C@@H]([NH3+])C=O)ccc2o1 259411912 573309421 /nfs/dbraw/zinc/30/94/21/573309421.db2.gz OOPSVZIZSHWTNP-QMMMGPOBSA-N 1 1 190.202 1.335 10 30 ADEEMO C=CCOCC[N@H+]1CCC(=O)C[C@H]1C 308546025 573310654 /nfs/dbraw/zinc/31/06/54/573310654.db2.gz NYFDQPWEJJEWJI-SNVBAGLBSA-N 1 1 197.278 1.242 10 30 ADEEMO C=CCOCC[N@@H+]1CCC(=O)C[C@H]1C 308546025 573310659 /nfs/dbraw/zinc/31/06/59/573310659.db2.gz NYFDQPWEJJEWJI-SNVBAGLBSA-N 1 1 197.278 1.242 10 30 ADEEMO C=C(CN)[C@@H]1CCC[N@H+]1C(C)C 258001001 573311573 /nfs/dbraw/zinc/31/15/73/573311573.db2.gz AKGSTZDARFIHML-JTQLQIEISA-N 1 1 168.284 1.374 10 30 ADEEMO Cc1ncc(C#N)c2c1C[N@@H+](C)CC2 259606995 573310977 /nfs/dbraw/zinc/31/09/77/573310977.db2.gz FPETZLKJDNWAMS-UHFFFAOYSA-N 1 1 187.246 1.250 10 30 ADEEMO C=CC[N@@H+]1C[C@H](CC)[NH2+]CC[C@H]1C 82943361 573310991 /nfs/dbraw/zinc/31/09/91/573310991.db2.gz WMOMBJGUTKFKLE-MNOVXSKESA-N 1 1 182.311 1.635 10 30 ADEEMO C=CCN1C[C@H](CC)[NH2+]CC[C@H]1C 82943361 573310995 /nfs/dbraw/zinc/31/09/95/573310995.db2.gz WMOMBJGUTKFKLE-MNOVXSKESA-N 1 1 182.311 1.635 10 30 ADEEMO C[C@@]1(O)CCC[N@@H+](CCC[C@@H]2CO2)C1 308546398 573311670 /nfs/dbraw/zinc/31/16/70/573311670.db2.gz VRIQVKSDKLHOLY-GHMZBOCLSA-N 1 1 199.294 1.012 10 30 ADEEMO C[NH2+][C@H](c1cc[nH]c1)C(C)(C)C#N 259415538 573311389 /nfs/dbraw/zinc/31/13/89/573311389.db2.gz NHBURESTBWUCFE-SECBINFHSA-N 1 1 177.251 1.825 10 30 ADEEMO C=C(CN)[C@@H]1CCC[N@@H+]1C(C)C 258001001 573311581 /nfs/dbraw/zinc/31/15/81/573311581.db2.gz AKGSTZDARFIHML-JTQLQIEISA-N 1 1 168.284 1.374 10 30 ADEEMO CC[C@@H](C#N)[C@@H]([NH2+]C)c1ccncc1 259413127 573315200 /nfs/dbraw/zinc/31/52/00/573315200.db2.gz XTMUGBYDDJTDBX-GXSJLCMTSA-N 1 1 189.262 1.892 10 30 ADEEMO CC[C@@H](C#N)[C@H]([NH2+]C)c1ccncc1 259413134 573315969 /nfs/dbraw/zinc/31/59/69/573315969.db2.gz XTMUGBYDDJTDBX-ONGXEEELSA-N 1 1 189.262 1.892 10 30 ADEEMO Cc1ccc2c[nH+]c(CC=O)n2c1 258302318 573316762 /nfs/dbraw/zinc/31/67/62/573316762.db2.gz OLDZDXHVEGIUQK-UHFFFAOYSA-N 1 1 174.203 1.384 10 30 ADEEMO C=C(C(=O)OC)[C@H]1CC[N@H+](CC)C1 258303761 573318296 /nfs/dbraw/zinc/31/82/96/573318296.db2.gz UWWFPWZIYBFWNO-VIFPVBQESA-N 1 1 183.251 1.057 10 30 ADEEMO C=C(C(=O)OC)[C@@H]1CC[N@H+](CC)C1 258303759 573318309 /nfs/dbraw/zinc/31/83/09/573318309.db2.gz UWWFPWZIYBFWNO-SECBINFHSA-N 1 1 183.251 1.057 10 30 ADEEMO C=CC[C@@H]1C(=O)C[C@@H]2CCC[N@@H+]21 222667074 573318550 /nfs/dbraw/zinc/31/85/50/573318550.db2.gz AAJMIYXQWLCIOO-DTWKUNHWSA-N 1 1 165.236 1.368 10 30 ADEEMO C=CCOCCC[N@@H+]1CC=CCC1 308347208 573318688 /nfs/dbraw/zinc/31/86/88/573318688.db2.gz WEUCHMNBCSOVBN-UHFFFAOYSA-N 1 1 181.279 1.841 10 30 ADEEMO C=C(C(=O)OC)[C@@H]1CCC[N@@H+]1CC 258301600 573318695 /nfs/dbraw/zinc/31/86/95/573318695.db2.gz USGWQICWMAQACH-VIFPVBQESA-N 1 1 183.251 1.200 10 30 ADEEMO C#CCSCC[NH2+]Cc1cocn1 308348006 573319527 /nfs/dbraw/zinc/31/95/27/573319527.db2.gz WQKFXWHJECRTMI-UHFFFAOYSA-N 1 1 196.275 1.131 10 30 ADEEMO C=C(C(=O)OC)[C@H]1CCC[N@@H+]1CC 258301599 573320331 /nfs/dbraw/zinc/32/03/31/573320331.db2.gz USGWQICWMAQACH-SECBINFHSA-N 1 1 183.251 1.200 10 30 ADEEMO C#CCC[N@@H+]1CC[C@@H](OCC=C)C1 308324804 573320662 /nfs/dbraw/zinc/32/06/62/573320662.db2.gz DWXXTFRBNMWNOD-LLVKDONJSA-N 1 1 179.263 1.287 10 30 ADEEMO C=C(C)C[NH2+][C@@H]1CCN(CC)C[C@@H]1C 308553413 573320875 /nfs/dbraw/zinc/32/08/75/573320875.db2.gz YKGUQYCEEFJOSR-NWDGAFQWSA-N 1 1 196.338 1.882 10 30 ADEEMO COc1ccc(C#N)c2[nH]c(N)[nH+]c12 238342402 573321195 /nfs/dbraw/zinc/32/11/95/573321195.db2.gz QNDXSVGUWNQNGN-UHFFFAOYSA-N 1 1 188.190 1.025 10 30 ADEEMO C[N@H+]1CCC[C@H](C(C)(C)C#N)C1 259084944 573327463 /nfs/dbraw/zinc/32/74/63/573327463.db2.gz IPRMAQBCHRXEHU-VIFPVBQESA-N 1 1 166.268 1.878 10 30 ADEEMO C[C@H]1C[C@@H](C)C[N@@H+]1CC[C@@](C)(N)C#N 222663643 573330819 /nfs/dbraw/zinc/33/08/19/573330819.db2.gz CSBCSJGILIYMCY-OUAUKWLOSA-N 1 1 195.310 1.348 10 30 ADEEMO C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccco1 259608264 573330369 /nfs/dbraw/zinc/33/03/69/573330369.db2.gz GOFLUELPDSQZHB-UWVGGRQHSA-N 1 1 190.246 1.981 10 30 ADEEMO C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccco1 259608264 573330374 /nfs/dbraw/zinc/33/03/74/573330374.db2.gz GOFLUELPDSQZHB-UWVGGRQHSA-N 1 1 190.246 1.981 10 30 ADEEMO CO[C@@H]1CCC[C@@H]1[N@@H+](C)[C@H](C)CC#N 308550558 573330395 /nfs/dbraw/zinc/33/03/95/573330395.db2.gz RQCFVSVJFPYOIH-OUAUKWLOSA-N 1 1 196.294 1.788 10 30 ADEEMO C=C1CCC[N@H+]([C@@H](C)CCCO)C1 308345277 573332703 /nfs/dbraw/zinc/33/27/03/573332703.db2.gz UWNYIMIVSIIDHU-NSHDSACASA-N 1 1 183.295 1.799 10 30 ADEEMO C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccco1 259608271 573332782 /nfs/dbraw/zinc/33/27/82/573332782.db2.gz GOFLUELPDSQZHB-ZJUUUORDSA-N 1 1 190.246 1.981 10 30 ADEEMO C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccco1 259608271 573332788 /nfs/dbraw/zinc/33/27/88/573332788.db2.gz GOFLUELPDSQZHB-ZJUUUORDSA-N 1 1 190.246 1.981 10 30 ADEEMO C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccco1 259608266 573332901 /nfs/dbraw/zinc/33/29/01/573332901.db2.gz GOFLUELPDSQZHB-VHSXEESVSA-N 1 1 190.246 1.981 10 30 ADEEMO C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccco1 259608266 573332906 /nfs/dbraw/zinc/33/29/06/573332906.db2.gz GOFLUELPDSQZHB-VHSXEESVSA-N 1 1 190.246 1.981 10 30 ADEEMO C=C1CCC[N@H+]([C@H](C)CCCO)C1 308345276 573332909 /nfs/dbraw/zinc/33/29/09/573332909.db2.gz UWNYIMIVSIIDHU-LLVKDONJSA-N 1 1 183.295 1.799 10 30 ADEEMO C#CC[C@@H]([NH2+]CC)c1ncc(C)cn1 132710017 573333020 /nfs/dbraw/zinc/33/30/20/573333020.db2.gz RRWLEADLUZTWGL-SNVBAGLBSA-N 1 1 189.262 1.459 10 30 ADEEMO C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccco1 259608260 573333104 /nfs/dbraw/zinc/33/31/04/573333104.db2.gz GOFLUELPDSQZHB-NXEZZACHSA-N 1 1 190.246 1.981 10 30 ADEEMO C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccco1 259608260 573333106 /nfs/dbraw/zinc/33/31/06/573333106.db2.gz GOFLUELPDSQZHB-NXEZZACHSA-N 1 1 190.246 1.981 10 30 ADEEMO Cc1nc2ccc([C@H]([NH3+])C=O)cc2o1 259087257 573333239 /nfs/dbraw/zinc/33/32/39/573333239.db2.gz AIAFIZJPMOHBPG-MRVPVSSYSA-N 1 1 190.202 1.335 10 30 ADEEMO C=CC[C@H]1C(=O)C[C@H]2CCC[N@H+]12 222667008 573335255 /nfs/dbraw/zinc/33/52/55/573335255.db2.gz AAJMIYXQWLCIOO-BDAKNGLRSA-N 1 1 165.236 1.368 10 30 ADEEMO C=CC[C@@H]1C(=O)C[C@H]2CCC[N@@H+]21 222666935 573335272 /nfs/dbraw/zinc/33/52/72/573335272.db2.gz AAJMIYXQWLCIOO-RKDXNWHRSA-N 1 1 165.236 1.368 10 30 ADEEMO Cc1nc2ccc([C@@H]([NH3+])C=O)cc2o1 259087259 573335655 /nfs/dbraw/zinc/33/56/55/573335655.db2.gz AIAFIZJPMOHBPG-QMMMGPOBSA-N 1 1 190.202 1.335 10 30 ADEEMO CC[C@](C)(C#N)CC[NH+]1CCOCC1 308554102 573338491 /nfs/dbraw/zinc/33/84/91/573338491.db2.gz RHSGAAMAPHOOIX-NSHDSACASA-N 1 1 196.294 1.649 10 30 ADEEMO C=CCN1CCC([NH3+])(CC)CC1 642830862 573339845 /nfs/dbraw/zinc/33/98/45/573339845.db2.gz GDOGAHIMLIOGLD-UHFFFAOYSA-N 1 1 168.284 1.376 10 30 ADEEMO CNC(=O)ONC1=[NH+]CCCCCC1 238354905 573339861 /nfs/dbraw/zinc/33/98/61/573339861.db2.gz MTJZGOIMNCMQCT-UHFFFAOYSA-N 1 1 199.254 1.210 10 30 ADEEMO C[C@@H]1C[N@H+](CCC[C@@H]2CO2)C[C@@H]1C 308351633 573340474 /nfs/dbraw/zinc/34/04/74/573340474.db2.gz YSPOXDIOAFQGDW-OUAUKWLOSA-N 1 1 183.295 1.753 10 30 ADEEMO CC(C)[C@@H](C#N)C[NH2+]Cc1ccc[nH]1 259091043 573340820 /nfs/dbraw/zinc/34/08/20/573340820.db2.gz WDDJELMCHDIQEJ-JTQLQIEISA-N 1 1 191.278 1.900 10 30 ADEEMO C=C(C(=O)OC)[C@H]1CCC[N@H+](CC)C1 258288169 573343027 /nfs/dbraw/zinc/34/30/27/573343027.db2.gz SZIVTJFOAWATOA-JTQLQIEISA-N 1 1 197.278 1.448 10 30 ADEEMO C[C@@H]1C[N@H+](CCC[C@H]2CO2)C[C@@H]1C 308351630 573343859 /nfs/dbraw/zinc/34/38/59/573343859.db2.gz YSPOXDIOAFQGDW-AXFHLTTASA-N 1 1 183.295 1.753 10 30 ADEEMO CN(C)CC[N@@H+]1CCC[C@@H](CC#N)C1 259423152 573344132 /nfs/dbraw/zinc/34/41/32/573344132.db2.gz ZQNBIWJRAVRBLE-NSHDSACASA-N 1 1 195.310 1.174 10 30 ADEEMO CN(C)CC[N@@H+]1CCC[C@H](CC#N)C1 259423149 573344043 /nfs/dbraw/zinc/34/40/43/573344043.db2.gz ZQNBIWJRAVRBLE-LLVKDONJSA-N 1 1 195.310 1.174 10 30 ADEEMO CN(C)CC[N@H+]1CCC[C@H](CC#N)C1 259423149 573344047 /nfs/dbraw/zinc/34/40/47/573344047.db2.gz ZQNBIWJRAVRBLE-LLVKDONJSA-N 1 1 195.310 1.174 10 30 ADEEMO CN(C)CC[N@H+]1CCC[C@@H](CC#N)C1 259423152 573344139 /nfs/dbraw/zinc/34/41/39/573344139.db2.gz ZQNBIWJRAVRBLE-NSHDSACASA-N 1 1 195.310 1.174 10 30 ADEEMO C=CC[C@@H](C)[N@@H+]1CCC[C@@H]1C#N 715775384 573344076 /nfs/dbraw/zinc/34/40/76/573344076.db2.gz SMBWMEVDLBJVQT-NXEZZACHSA-N 1 1 164.252 1.939 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CCC[C@@H]1C#N 715775384 573344081 /nfs/dbraw/zinc/34/40/81/573344081.db2.gz SMBWMEVDLBJVQT-NXEZZACHSA-N 1 1 164.252 1.939 10 30 ADEEMO C=CC[C@@H](C)[N@@H+]1CCC[C@H]1C#N 715775397 573345161 /nfs/dbraw/zinc/34/51/61/573345161.db2.gz SMBWMEVDLBJVQT-ZJUUUORDSA-N 1 1 164.252 1.939 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CCC[C@H]1C#N 715775397 573345167 /nfs/dbraw/zinc/34/51/67/573345167.db2.gz SMBWMEVDLBJVQT-ZJUUUORDSA-N 1 1 164.252 1.939 10 30 ADEEMO CC[C@@H](C(N)=NO)[N@@H+](C)CCC1CC1 308556352 573345623 /nfs/dbraw/zinc/34/56/23/573345623.db2.gz ZPAOFXUTWQLPGN-VIFPVBQESA-N 1 1 199.298 1.243 10 30 ADEEMO C#CC[N@@H+](CC)CCCOCC=C 308361056 573345781 /nfs/dbraw/zinc/34/57/81/573345781.db2.gz MFWLOESDARWGNK-UHFFFAOYSA-N 1 1 181.279 1.534 10 30 ADEEMO CC(C)(C)[N@H+]1CCC[C@@H]1CC=O 117482655 573348884 /nfs/dbraw/zinc/34/88/84/573348884.db2.gz YCIVYRNEMOILGR-SECBINFHSA-N 1 1 169.268 1.838 10 30 ADEEMO N#CC1([C@@H]([NH3+])c2ccncc2)CCC1 259425668 573349016 /nfs/dbraw/zinc/34/90/16/573349016.db2.gz MXGSREYZDSXZGM-JTQLQIEISA-N 1 1 187.246 1.775 10 30 ADEEMO C[N@@H+](CC(C)(C)O)[C@H]1CCC[C@@H]1C#N 86273697 573349279 /nfs/dbraw/zinc/34/92/79/573349279.db2.gz FLTFWSILVGCCDH-ZJUUUORDSA-N 1 1 196.294 1.381 10 30 ADEEMO C[N@H+]1CCC[C@@H](CC=O)CC1 107118113 573349438 /nfs/dbraw/zinc/34/94/38/573349438.db2.gz UMSBCTZNNSBAOA-SECBINFHSA-N 1 1 155.241 1.307 10 30 ADEEMO N#CC1([C@H]([NH3+])c2ccncc2)CCC1 259425670 573349772 /nfs/dbraw/zinc/34/97/72/573349772.db2.gz MXGSREYZDSXZGM-SNVBAGLBSA-N 1 1 187.246 1.775 10 30 ADEEMO C=CCO[C@H](C)CN1CCC([NH3+])CC1 308558548 573351171 /nfs/dbraw/zinc/35/11/71/573351171.db2.gz URDCHYQNHRWVJS-SNVBAGLBSA-N 1 1 198.310 1.001 10 30 ADEEMO C=CCCC[N@@H+]1CC[C@H](O)C1(C)C 308320390 573351441 /nfs/dbraw/zinc/35/14/41/573351441.db2.gz YDUBETVFGZWWNN-JTQLQIEISA-N 1 1 183.295 1.798 10 30 ADEEMO C[N@H+]1CCCC[C@H]1CC=O 107115795 573352322 /nfs/dbraw/zinc/35/23/22/573352322.db2.gz KQLRMRGFMYZJAV-QMMMGPOBSA-N 1 1 141.214 1.060 10 30 ADEEMO C[N@@H+]1CCO[C@@H]2CC[C@H](C#N)C[C@@H]21 259609290 573352597 /nfs/dbraw/zinc/35/25/97/573352597.db2.gz FVSYSSWRWAGIBH-LPEHRKFASA-N 1 1 180.251 1.009 10 30 ADEEMO C[N@H+]1CCO[C@@H]2CC[C@H](C#N)C[C@@H]21 259609290 573352601 /nfs/dbraw/zinc/35/26/01/573352601.db2.gz FVSYSSWRWAGIBH-LPEHRKFASA-N 1 1 180.251 1.009 10 30 ADEEMO C[N@@H+]1CCO[C@@H]2CC[C@H](C#N)C[C@H]21 259609282 573352828 /nfs/dbraw/zinc/35/28/28/573352828.db2.gz FVSYSSWRWAGIBH-IVZWLZJFSA-N 1 1 180.251 1.009 10 30 ADEEMO C[N@H+]1CCO[C@@H]2CC[C@H](C#N)C[C@H]21 259609282 573352835 /nfs/dbraw/zinc/35/28/35/573352835.db2.gz FVSYSSWRWAGIBH-IVZWLZJFSA-N 1 1 180.251 1.009 10 30 ADEEMO C[N@H+]1CCC[C@H](CC=O)CC1 107118110 573352887 /nfs/dbraw/zinc/35/28/87/573352887.db2.gz UMSBCTZNNSBAOA-VIFPVBQESA-N 1 1 155.241 1.307 10 30 ADEEMO C=C(CC=O)C[C@H]1CC[N@H+](C)C1 258009522 573355686 /nfs/dbraw/zinc/35/56/86/573355686.db2.gz AZLAGWLPBFXKLF-SNVBAGLBSA-N 1 1 167.252 1.473 10 30 ADEEMO C=C(CC)C[NH2+][C@H]1CCCNC1 313500685 573354733 /nfs/dbraw/zinc/35/47/33/573354733.db2.gz JTVQUNSMGWDTGA-JTQLQIEISA-N 1 1 168.284 1.294 10 30 ADEEMO CC(C)[N@@H+]1CC=C(CC=O)CC1 258010282 573355039 /nfs/dbraw/zinc/35/50/39/573355039.db2.gz JAIGPCQCUPQKMN-UHFFFAOYSA-N 1 1 167.252 1.616 10 30 ADEEMO C[N@@H+]1CCO[C@@H]2CC[C@@H](C#N)C[C@@H]21 259609286 573355834 /nfs/dbraw/zinc/35/58/34/573355834.db2.gz FVSYSSWRWAGIBH-KXUCPTDWSA-N 1 1 180.251 1.009 10 30 ADEEMO C[N@H+]1CCO[C@@H]2CC[C@@H](C#N)C[C@@H]21 259609286 573355838 /nfs/dbraw/zinc/35/58/38/573355838.db2.gz FVSYSSWRWAGIBH-KXUCPTDWSA-N 1 1 180.251 1.009 10 30 ADEEMO C=CCOCCC[N@H+](C)CCOC 308363486 573358000 /nfs/dbraw/zinc/35/80/00/573358000.db2.gz MXFKZNWMDIARRS-UHFFFAOYSA-N 1 1 187.283 1.157 10 30 ADEEMO C=C(CO)C[C@@H]1CCC[N@@H+]1C 258296415 573358457 /nfs/dbraw/zinc/35/84/57/573358457.db2.gz UKAXFYKMRLGNAV-VIFPVBQESA-N 1 1 155.241 1.019 10 30 ADEEMO CC#CCNCC1([NH+](C)C)CCCC1 132856254 573358538 /nfs/dbraw/zinc/35/85/38/573358538.db2.gz DKMRLPPKUSYKED-UHFFFAOYSA-N 1 1 194.322 1.474 10 30 ADEEMO C=C(CO)C[C@@H]1CC[N@H+](C(C)C)C1 258294541 573358639 /nfs/dbraw/zinc/35/86/39/573358639.db2.gz UFWHNHIKLNSBEH-NSHDSACASA-N 1 1 183.295 1.655 10 30 ADEEMO C=C(CCO)C[C@@H]1CC[N@H+](C)C1 258294554 573360350 /nfs/dbraw/zinc/36/03/50/573360350.db2.gz UFXNRFKIXRZFPU-JTQLQIEISA-N 1 1 169.268 1.267 10 30 ADEEMO C=C(CCO)C[C@H]1CC[N@H+](C)C1 258294556 573360371 /nfs/dbraw/zinc/36/03/71/573360371.db2.gz UFXNRFKIXRZFPU-SNVBAGLBSA-N 1 1 169.268 1.267 10 30 ADEEMO CC[N@H+]1CC[C@@H](C/C=C\CC=O)C1 258294450 573360522 /nfs/dbraw/zinc/36/05/22/573360522.db2.gz UEMGLAAJHYYKJH-DLRQAJBASA-N 1 1 181.279 1.864 10 30 ADEEMO C[NH2+][C@@H](S)c1ccc(F)cc1 259427814 573362365 /nfs/dbraw/zinc/36/23/65/573362365.db2.gz NVPQQGZIPIPNGF-QMMMGPOBSA-N 1 1 171.240 1.974 10 30 ADEEMO C[NH2+][C@H](S)c1ccc(F)cc1 259427812 573364611 /nfs/dbraw/zinc/36/46/11/573364611.db2.gz NVPQQGZIPIPNGF-MRVPVSSYSA-N 1 1 171.240 1.974 10 30 ADEEMO CC[N@H+]1CCC[C@H]1/C=C\CC=O 258314392 573364836 /nfs/dbraw/zinc/36/48/36/573364836.db2.gz VRCDGFVGPQLAOR-XICOKMJESA-N 1 1 167.252 1.616 10 30 ADEEMO CCCC[N@@H+]1CCC[C@@](N)(C#N)C1 259430366 573366994 /nfs/dbraw/zinc/36/69/94/573366994.db2.gz ULTOBSMOWMDSGD-SNVBAGLBSA-N 1 1 181.283 1.103 10 30 ADEEMO CCCC[N@H+]1CCC[C@@](N)(C#N)C1 259430366 573366996 /nfs/dbraw/zinc/36/69/96/573366996.db2.gz ULTOBSMOWMDSGD-SNVBAGLBSA-N 1 1 181.283 1.103 10 30 ADEEMO CC(C)[N@H+]1CCCC[C@@H]1C#CC=O 258318204 573367353 /nfs/dbraw/zinc/36/73/53/573367353.db2.gz VXHKSYNYTVVBFM-LLVKDONJSA-N 1 1 179.263 1.452 10 30 ADEEMO C#CC[NH2+][C@@H]1c2ccccc2C[C@@H]1F 214762704 573368217 /nfs/dbraw/zinc/36/82/17/573368217.db2.gz NYDFHNRLRLOAGB-NWDGAFQWSA-N 1 1 189.233 1.845 10 30 ADEEMO C=CCC[C@H](O)Cn1cc[nH+]c1C 308366199 573369087 /nfs/dbraw/zinc/36/90/87/573369087.db2.gz HZHVNEYPUAITRM-JTQLQIEISA-N 1 1 180.251 1.519 10 30 ADEEMO CC(C)[N@H+]1CCCC[C@@H]1CC#CCO 258319970 573371597 /nfs/dbraw/zinc/37/15/97/573371597.db2.gz WAQYJPYCIPCPIQ-GFCCVEGCSA-N 1 1 195.306 1.635 10 30 ADEEMO O=CC[N@@H+]1CCC[C@H](CCF)C1 689807761 573371762 /nfs/dbraw/zinc/37/17/62/573371762.db2.gz PEJXYYSNUMFUGV-SECBINFHSA-N 1 1 173.231 1.257 10 30 ADEEMO C=C(C[NH2+]C)[C@@H]1CCCCN1C 258015716 573372284 /nfs/dbraw/zinc/37/22/84/573372284.db2.gz BILVAHRCHUUXDI-JTQLQIEISA-N 1 1 168.284 1.246 10 30 ADEEMO C=C(CO)C[C@@H]1CCCC[N@@H+]1C 258323931 573372434 /nfs/dbraw/zinc/37/24/34/573372434.db2.gz WKPMMBYGUJBGNH-JTQLQIEISA-N 1 1 169.268 1.409 10 30 ADEEMO C=C(C[NH+]1CCNCC1)C(C)(C)C 258319950 573372508 /nfs/dbraw/zinc/37/25/08/573372508.db2.gz WACBEZLMVMXKST-UHFFFAOYSA-N 1 1 182.311 1.494 10 30 ADEEMO O=CC[N@@H+]1CCC[C@@H](CCF)C1 689807762 573372674 /nfs/dbraw/zinc/37/26/74/573372674.db2.gz PEJXYYSNUMFUGV-VIFPVBQESA-N 1 1 173.231 1.257 10 30 ADEEMO COC[C@H](C)[N@H+](C)CC1(C#N)CC1 308366111 573372786 /nfs/dbraw/zinc/37/27/86/573372786.db2.gz OBXCKEYIIMWKIY-VIFPVBQESA-N 1 1 182.267 1.257 10 30 ADEEMO COC[C@H](C)[N@@H+](C)CC1(C#N)CC1 308366111 573372790 /nfs/dbraw/zinc/37/27/90/573372790.db2.gz OBXCKEYIIMWKIY-VIFPVBQESA-N 1 1 182.267 1.257 10 30 ADEEMO C=C(CO)C[C@H]1CCCC[N@@H+]1C 258323935 573372907 /nfs/dbraw/zinc/37/29/07/573372907.db2.gz WKPMMBYGUJBGNH-SNVBAGLBSA-N 1 1 169.268 1.409 10 30 ADEEMO C#CC[N@H+](CCO)CC/C=C\CC 308376955 573373903 /nfs/dbraw/zinc/37/39/03/573373903.db2.gz SUGKDXXLCBHNHC-WAYWQWQTSA-N 1 1 181.279 1.270 10 30 ADEEMO C[N@H+]1CCC[C@@H](C2(S)COC2)C1 259429892 573375087 /nfs/dbraw/zinc/37/50/87/573375087.db2.gz ZPTHSNRUQKMKJO-MRVPVSSYSA-N 1 1 187.308 1.027 10 30 ADEEMO CC(C)=CC(=O)C[NH+](C)C 117873886 573375226 /nfs/dbraw/zinc/37/52/26/573375226.db2.gz MWWPPENOWFSZRW-UHFFFAOYSA-N 1 1 141.214 1.083 10 30 ADEEMO NC(=[NH+]OCC(F)F)C1CCCC1 308376388 573375395 /nfs/dbraw/zinc/37/53/95/573375395.db2.gz NZGKHPBZMPTBQP-UHFFFAOYSA-N 1 1 192.209 1.731 10 30 ADEEMO C=CCN(C)CC[C@H]([NH3+])C(C)(C)C 129631132 573375653 /nfs/dbraw/zinc/37/56/53/573375653.db2.gz VFBLQALYEBAUKH-JTQLQIEISA-N 1 1 184.327 1.868 10 30 ADEEMO C=CC[C@@H](C)[N@@H+](CCC#N)CCOC 715786629 573376290 /nfs/dbraw/zinc/37/62/90/573376290.db2.gz JGYZKWWMKFWYFU-LLVKDONJSA-N 1 1 196.294 1.813 10 30 ADEEMO C=CC[C@@H](C)[N@H+](CCC#N)CCOC 715786629 573376297 /nfs/dbraw/zinc/37/62/97/573376297.db2.gz JGYZKWWMKFWYFU-LLVKDONJSA-N 1 1 196.294 1.813 10 30 ADEEMO C=CC[C@H](C)[N@@H+](CCC#N)CCOC 715786630 573376358 /nfs/dbraw/zinc/37/63/58/573376358.db2.gz JGYZKWWMKFWYFU-NSHDSACASA-N 1 1 196.294 1.813 10 30 ADEEMO C=CC[C@H](C)[N@H+](CCC#N)CCOC 715786630 573376364 /nfs/dbraw/zinc/37/63/64/573376364.db2.gz JGYZKWWMKFWYFU-NSHDSACASA-N 1 1 196.294 1.813 10 30 ADEEMO C[N@H+]1CCC[C@H](C2(S)COC2)C1 259429895 573376395 /nfs/dbraw/zinc/37/63/95/573376395.db2.gz ZPTHSNRUQKMKJO-QMMMGPOBSA-N 1 1 187.308 1.027 10 30 ADEEMO CNC(=O)CC/[NH+]=C\c1ccccc1 308376028 573376459 /nfs/dbraw/zinc/37/64/59/573376459.db2.gz ZMZSSULBICAZSZ-LCYFTJDESA-N 1 1 190.246 1.242 10 30 ADEEMO O/N=C1/CC[N@H+]2CCCC[C@@H]2C1 117887523 573376929 /nfs/dbraw/zinc/37/69/29/573376929.db2.gz PWQFEHZHPJOABH-URLRMUCDSA-N 1 1 168.240 1.465 10 30 ADEEMO C#CC[N@H+](CCO)CC/C=C/CC 308376953 573377288 /nfs/dbraw/zinc/37/72/88/573377288.db2.gz SUGKDXXLCBHNHC-AATRIKPKSA-N 1 1 181.279 1.270 10 30 ADEEMO C#CCN(CC)CC[C@H]([NH3+])C(C)(C)C 129630004 573377470 /nfs/dbraw/zinc/37/74/70/573377470.db2.gz QMGAJMQNNFUXIA-NSHDSACASA-N 1 1 196.338 1.705 10 30 ADEEMO C=CCN(C)CC[C@@H]([NH3+])C(C)(C)C 129630924 573378161 /nfs/dbraw/zinc/37/81/61/573378161.db2.gz VFBLQALYEBAUKH-SNVBAGLBSA-N 1 1 184.327 1.868 10 30 ADEEMO C[C@@H]1Cc2cc(C#N)ccc2C[N@H+]1C 306627286 573380536 /nfs/dbraw/zinc/38/05/36/573380536.db2.gz JEXVFSNGGKZTEB-SECBINFHSA-N 1 1 186.258 1.935 10 30 ADEEMO C#CC[C@H](CC)[NH2+]Cc1n[nH]cc1C 308567340 573381389 /nfs/dbraw/zinc/38/13/89/573381389.db2.gz BBMRQTYQYXRWTQ-JTQLQIEISA-N 1 1 191.278 1.610 10 30 ADEEMO CC[N@H+]1CCC[C@](O)(CCC=O)CC1 308567235 573381486 /nfs/dbraw/zinc/38/14/86/573381486.db2.gz YZSQGEBFGSFHJH-NSHDSACASA-N 1 1 199.294 1.202 10 30 ADEEMO COc1cc([C@@H]([NH3+])CC#N)ccc1N 211717780 573381546 /nfs/dbraw/zinc/38/15/46/573381546.db2.gz FKLGUILWMANFJL-QMMMGPOBSA-N 1 1 191.234 1.191 10 30 ADEEMO CC(C)(C)[N@H+]1CCC[C@@H](NCC#N)C1 259434495 573384750 /nfs/dbraw/zinc/38/47/50/573384750.db2.gz URYHRHUSQLWDAK-SNVBAGLBSA-N 1 1 195.310 1.362 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CC[C@H](C#N)C1 715788933 573385032 /nfs/dbraw/zinc/38/50/32/573385032.db2.gz SLKUMWIJTYMKBM-NXEZZACHSA-N 1 1 164.252 1.796 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@@H](C#N)C1 715788934 573386597 /nfs/dbraw/zinc/38/65/97/573386597.db2.gz SLKUMWIJTYMKBM-UWVGGRQHSA-N 1 1 164.252 1.796 10 30 ADEEMO C=C(CCO)C[C@@H]1CCCC[N@@H+]1C 258011663 573386994 /nfs/dbraw/zinc/38/69/94/573386994.db2.gz BAUPAIXGVZNPPN-NSHDSACASA-N 1 1 183.295 1.799 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@H](C#N)C1 715788935 573387275 /nfs/dbraw/zinc/38/72/75/573387275.db2.gz SLKUMWIJTYMKBM-VHSXEESVSA-N 1 1 164.252 1.796 10 30 ADEEMO Cc1[nH+]cc2n1CCC[C@H]2C=O 107160296 573387686 /nfs/dbraw/zinc/38/76/86/573387686.db2.gz STYIUIZPSXTIIR-QMMMGPOBSA-N 1 1 164.208 1.268 10 30 ADEEMO Cc1[nH+]cn2c1CCC[C@@H]2C=O 107160314 573387780 /nfs/dbraw/zinc/38/77/80/573387780.db2.gz WOGCTXNIAPOCFK-MRVPVSSYSA-N 1 1 164.208 1.268 10 30 ADEEMO C=C(C(=O)OC)[C@@H]1CCC[N@H+]1C(C)C 258013534 573390942 /nfs/dbraw/zinc/39/09/42/573390942.db2.gz BEHPJKGKIDUADC-JTQLQIEISA-N 1 1 197.278 1.588 10 30 ADEEMO C=C(CCO)C[C@H]1CCCC[N@@H+]1C 258011661 573391075 /nfs/dbraw/zinc/39/10/75/573391075.db2.gz BAUPAIXGVZNPPN-LLVKDONJSA-N 1 1 183.295 1.799 10 30 ADEEMO C#CCCC[N@@H+]1CC[C@@H]1COC 393517272 573391328 /nfs/dbraw/zinc/39/13/28/573391328.db2.gz LSAWTPSUPGJOAV-SNVBAGLBSA-N 1 1 167.252 1.121 10 30 ADEEMO N#CC[C@H]([NH3+])c1ccc(N)cc1F 211723835 573391561 /nfs/dbraw/zinc/39/15/61/573391561.db2.gz XLRAJDJVLSMDET-VIFPVBQESA-N 1 1 179.198 1.321 10 30 ADEEMO C=CC[N@H+](CC)Cc1cccc(N)n1 308569086 573391638 /nfs/dbraw/zinc/39/16/38/573391638.db2.gz JFXCMRYOMFEXEN-UHFFFAOYSA-N 1 1 191.278 1.672 10 30 ADEEMO CC[C@@H](CC#N)[NH2+][C@@H](C)c1cn[nH]c1 308569045 573391906 /nfs/dbraw/zinc/39/19/06/573391906.db2.gz ZYVMQKGEMNNAQJ-WPRPVWTQSA-N 1 1 192.266 1.753 10 30 ADEEMO CC[C@H](CC#N)N(C)[C@H]1CC[N@@H+](C)C1 308568627 573394635 /nfs/dbraw/zinc/39/46/35/573394635.db2.gz JCUZSCMZGAZJFI-MNOVXSKESA-N 1 1 195.310 1.315 10 30 ADEEMO CC[C@@H](CC#N)N(C)[C@H]1CC[N@@H+](C)C1 308568629 573395086 /nfs/dbraw/zinc/39/50/86/573395086.db2.gz JCUZSCMZGAZJFI-QWRGUYRKSA-N 1 1 195.310 1.315 10 30 ADEEMO CC[C@H](C#N)C[N@@H+](C)C1CCOCC1 259094698 573397164 /nfs/dbraw/zinc/39/71/64/573397164.db2.gz WLCWBQNHRDFKDO-SNVBAGLBSA-N 1 1 196.294 1.647 10 30 ADEEMO C=CC[NH2+][C@@H]1CCN(C)C[C@@H]1CCC 308573429 573400436 /nfs/dbraw/zinc/40/04/36/573400436.db2.gz CSIJSPHAQYIEKL-NWDGAFQWSA-N 1 1 196.338 1.882 10 30 ADEEMO C[C@H]1CCC[C@H](C[N@@H+](C)CC=O)C1 714689423 573400560 /nfs/dbraw/zinc/40/05/60/573400560.db2.gz UXFOFZJTISOCEW-QWRGUYRKSA-N 1 1 183.295 1.943 10 30 ADEEMO C=CC[NH2+][C@H]1CCN(C)C[C@H]1CCC 308573419 573401933 /nfs/dbraw/zinc/40/19/33/573401933.db2.gz CSIJSPHAQYIEKL-NEPJUHHUSA-N 1 1 196.338 1.882 10 30 ADEEMO C=C[C@@H]([NH3+])c1occc1OC 238388281 573402180 /nfs/dbraw/zinc/40/21/80/573402180.db2.gz QEOIEACSOGOYJV-ZCFIWIBFSA-N 1 1 153.181 1.474 10 30 ADEEMO CC[C@H](CC#N)[N@@H+](C)C(C)(C)CO 133447327 573402253 /nfs/dbraw/zinc/40/22/53/573402253.db2.gz KFMFUKBHHDQXIS-SECBINFHSA-N 1 1 184.283 1.381 10 30 ADEEMO C[N@H+]1CCC[C@H](C(=O)C2(C#N)CC2)C1 259095931 573402527 /nfs/dbraw/zinc/40/25/27/573402527.db2.gz GSZCKDUBTRNYNG-VIFPVBQESA-N 1 1 192.262 1.201 10 30 ADEEMO C=CCNC1(C[NH3+])C[C@H](C)O[C@@H](C)C1 133457695 573403138 /nfs/dbraw/zinc/40/31/38/573403138.db2.gz QFMBCWOFKXEONM-UWVGGRQHSA-N 1 1 198.310 1.047 10 30 ADEEMO C=CC[NH2+]C1(CN)C[C@H](C)O[C@@H](C)C1 133457695 573403136 /nfs/dbraw/zinc/40/31/36/573403136.db2.gz QFMBCWOFKXEONM-UWVGGRQHSA-N 1 1 198.310 1.047 10 30 ADEEMO Cc1cc(N)c(F)cc1[C@@H]([NH3+])CC#N 211746186 573403985 /nfs/dbraw/zinc/40/39/85/573403985.db2.gz GLCHGBOACYRCMN-VIFPVBQESA-N 1 1 193.225 1.630 10 30 ADEEMO C[C@@H](O)C[C@H]1CCCC[N@H+]1CCC=O 308576022 573405503 /nfs/dbraw/zinc/40/55/03/573405503.db2.gz HIPHVISOABKOSL-GHMZBOCLSA-N 1 1 199.294 1.201 10 30 ADEEMO C[C@@H](O)C[C@@H]1CCCC[N@H+]1CCC=O 308576024 573407230 /nfs/dbraw/zinc/40/72/30/573407230.db2.gz HIPHVISOABKOSL-MNOVXSKESA-N 1 1 199.294 1.201 10 30 ADEEMO C[C@H](O)C[C@H]1CCCC[N@H+]1CCC=O 308576026 573407328 /nfs/dbraw/zinc/40/73/28/573407328.db2.gz HIPHVISOABKOSL-WDEREUQCSA-N 1 1 199.294 1.201 10 30 ADEEMO CC[C@@H]1C[C@H](C#N)C[N@H+]1C 107217542 573407698 /nfs/dbraw/zinc/40/76/98/573407698.db2.gz FVKHHETZDQHPEX-HTQZYQBOSA-N 1 1 138.214 1.240 10 30 ADEEMO C[NH+](C)CCN1CCC(CC#N)CC1 259097749 573408105 /nfs/dbraw/zinc/40/81/05/573408105.db2.gz FFPAGYVKOMUKCO-UHFFFAOYSA-N 1 1 195.310 1.174 10 30 ADEEMO C[N@@H+](C/C=C/CS)[C@@H]1CCOC1 133549458 573408149 /nfs/dbraw/zinc/40/81/49/573408149.db2.gz QYSTVHRRZXBIIH-GKQMSVHHSA-N 1 1 187.308 1.193 10 30 ADEEMO C[C@H]1[C@H](CC#N)CC[N@H+]1C 107217576 573408177 /nfs/dbraw/zinc/40/81/77/573408177.db2.gz DINGFJDUCVXMGU-JGVFFNPUSA-N 1 1 138.214 1.240 10 30 ADEEMO C[C@H]1C[C@@H](CC#N)C[N@H+]1C 107217570 573408885 /nfs/dbraw/zinc/40/88/85/573408885.db2.gz BSFHVYZXLPOXIT-JGVFFNPUSA-N 1 1 138.214 1.240 10 30 ADEEMO C[C@H](CS)C[N@@H+](C)[C@@H]1CCOC1 133548161 573408579 /nfs/dbraw/zinc/40/85/79/573408579.db2.gz ZWKROCVHZORLKE-DTWKUNHWSA-N 1 1 189.324 1.273 10 30 ADEEMO CC[C@@H](C#N)C[NH2+]Cc1cccnc1 258647065 573408822 /nfs/dbraw/zinc/40/88/22/573408822.db2.gz MINWSLUGPNBEEV-JTQLQIEISA-N 1 1 189.262 1.721 10 30 ADEEMO CC[C@H]1C[C@H](C#N)C[N@H+]1C 107217545 573410006 /nfs/dbraw/zinc/41/00/06/573410006.db2.gz FVKHHETZDQHPEX-SFYZADRCSA-N 1 1 138.214 1.240 10 30 ADEEMO CCc1[nH+]ccn1-c1cnccc1C#N 135617735 573410016 /nfs/dbraw/zinc/41/00/16/573410016.db2.gz UEWLYQLNONBXFO-UHFFFAOYSA-N 1 1 198.229 1.701 10 30 ADEEMO C[C@@H]1[C@H](CC#N)CC[N@H+]1C 107217573 573409659 /nfs/dbraw/zinc/40/96/59/573409659.db2.gz DINGFJDUCVXMGU-HTQZYQBOSA-N 1 1 138.214 1.240 10 30 ADEEMO C[C@H]1[C@@H](CC#N)CC[N@H+]1C 107217581 573409952 /nfs/dbraw/zinc/40/99/52/573409952.db2.gz DINGFJDUCVXMGU-YUMQZZPRSA-N 1 1 138.214 1.240 10 30 ADEEMO C[N@@H+](C/C=C/CS)[C@H]1CCOC1 133549680 573409993 /nfs/dbraw/zinc/40/99/93/573409993.db2.gz QYSTVHRRZXBIIH-HPOULIHZSA-N 1 1 187.308 1.193 10 30 ADEEMO COc1cc(N)ccc1[C@H]([NH3+])CC#N 238381974 573411012 /nfs/dbraw/zinc/41/10/12/573411012.db2.gz IGTDBRHVEQVQLZ-SECBINFHSA-N 1 1 191.234 1.191 10 30 ADEEMO C/[NH+]=C(/C)SC 145569513 573411070 /nfs/dbraw/zinc/41/10/70/573411070.db2.gz NLITYCNQKFOKBI-PLNGDYQASA-N 1 1 103.190 1.398 10 30 ADEEMO CC[N@H+]1CC[C@@H](n2cc(C#N)cn2)C1 257811100 573411079 /nfs/dbraw/zinc/41/10/79/573411079.db2.gz AYNLHEKROYPPQP-SNVBAGLBSA-N 1 1 190.250 1.021 10 30 ADEEMO COc1cc(N)ccc1[C@@H]([NH3+])CC#N 238381286 573411621 /nfs/dbraw/zinc/41/16/21/573411621.db2.gz IGTDBRHVEQVQLZ-VIFPVBQESA-N 1 1 191.234 1.191 10 30 ADEEMO CC[C@@H](C#N)C[N@@H+](C)C(C)C 259098013 573411448 /nfs/dbraw/zinc/41/14/48/573411448.db2.gz WPNVOVDKEVIECK-VIFPVBQESA-N 1 1 154.257 1.876 10 30 ADEEMO C[N@H+]1C[C@H](C#N)CC1(C)C 107217557 573411467 /nfs/dbraw/zinc/41/14/67/573411467.db2.gz YCEOQXWHYHGZHX-ZETCQYMHSA-N 1 1 138.214 1.240 10 30 ADEEMO N#CC1([C@@H]([NH3+])c2ccc[nH]2)CCC1 259610944 573411475 /nfs/dbraw/zinc/41/14/75/573411475.db2.gz XLTIYSWAAIQLLC-VIFPVBQESA-N 1 1 175.235 1.708 10 30 ADEEMO CC[N@H+]1CC[C@H](n2cc(C#N)cn2)C1 257811099 573411687 /nfs/dbraw/zinc/41/16/87/573411687.db2.gz AYNLHEKROYPPQP-JTQLQIEISA-N 1 1 190.250 1.021 10 30 ADEEMO C[C@H]1[C@H](CC#N)CCC[N@H+]1C 107219016 573414549 /nfs/dbraw/zinc/41/45/49/573414549.db2.gz YWMHTGGTMAJAQW-IUCAKERBSA-N 1 1 152.241 1.630 10 30 ADEEMO C[C@H](O)C[C@@H]1CCCC[N@H+]1C[C@@H]1CO1 308578563 573413227 /nfs/dbraw/zinc/41/32/27/573413227.db2.gz IQFYJJIGRCULGS-GARJFASQSA-N 1 1 199.294 1.011 10 30 ADEEMO CC(C)[N@H+]1C[C@@H](C#N)C[C@H]1C 107218985 573413659 /nfs/dbraw/zinc/41/36/59/573413659.db2.gz FDPCFSWKQTXIIS-RKDXNWHRSA-N 1 1 152.241 1.629 10 30 ADEEMO CC(C)[C@H]1C[C@H](C#N)C[N@H+]1C 107218935 573413859 /nfs/dbraw/zinc/41/38/59/573413859.db2.gz VVUDGCWRJDYGAZ-RKDXNWHRSA-N 1 1 152.241 1.486 10 30 ADEEMO C[C@H]1[C@@H](CC#N)CCC[N@H+]1C 107219021 573414099 /nfs/dbraw/zinc/41/40/99/573414099.db2.gz YWMHTGGTMAJAQW-DTWKUNHWSA-N 1 1 152.241 1.630 10 30 ADEEMO CC[C@H]1C[C@H](C#N)CC[N@H+]1C 107218949 573415075 /nfs/dbraw/zinc/41/50/75/573415075.db2.gz PQPSIZARTYCBJF-BDAKNGLRSA-N 1 1 152.241 1.630 10 30 ADEEMO CC(C)[C@@H]1C[C@H](C#N)C[N@H+]1C 107218931 573415125 /nfs/dbraw/zinc/41/51/25/573415125.db2.gz VVUDGCWRJDYGAZ-BDAKNGLRSA-N 1 1 152.241 1.486 10 30 ADEEMO CC[C@@H]1C[C@@H](C#N)CC[N@H+]1C 107218952 573415426 /nfs/dbraw/zinc/41/54/26/573415426.db2.gz PQPSIZARTYCBJF-DTWKUNHWSA-N 1 1 152.241 1.630 10 30 ADEEMO CC(C)[N@H+]1C[C@@H](C#N)C[C@@H]1C 107218989 573415456 /nfs/dbraw/zinc/41/54/56/573415456.db2.gz FDPCFSWKQTXIIS-DTWKUNHWSA-N 1 1 152.241 1.629 10 30 ADEEMO C=CC[C@H](C)[C@@H]([NH2+]CC)c1cnn[nH]1 715798652 573415522 /nfs/dbraw/zinc/41/55/22/573415522.db2.gz WRWPOTRRWGVEBK-WCBMZHEXSA-N 1 1 194.282 1.668 10 30 ADEEMO CC(C)[N@H+]1CC[C@@H](C#N)[C@@H]1C 107218962 573415939 /nfs/dbraw/zinc/41/59/39/573415939.db2.gz KZFVSZZEUGNESK-IUCAKERBSA-N 1 1 152.241 1.629 10 30 ADEEMO C[C@@H]1[C@H](C#N)CC(C)(C)[N@H+]1C 107218973 573418600 /nfs/dbraw/zinc/41/86/00/573418600.db2.gz CYCPMVNWPCLBKT-SFYZADRCSA-N 1 1 152.241 1.629 10 30 ADEEMO CCO[C@@]1(C=O)CCC[N@@H+](CC)C1 257810697 573418329 /nfs/dbraw/zinc/41/83/29/573418329.db2.gz APKAEHLVANKAIO-JTQLQIEISA-N 1 1 185.267 1.076 10 30 ADEEMO C[C@@H]1C[C@@H](C#N)C[N@H+]1C1CC1 107218619 573418388 /nfs/dbraw/zinc/41/83/88/573418388.db2.gz PMNBHEAMNLUWAU-SFYZADRCSA-N 1 1 150.225 1.383 10 30 ADEEMO C[N@H+]1CC[C@H](CC#N)C1(C)C 107219041 573418452 /nfs/dbraw/zinc/41/84/52/573418452.db2.gz KQXWYKZZCKONGJ-QMMMGPOBSA-N 1 1 152.241 1.630 10 30 ADEEMO C[C@H]1C[C@H](CC#N)CC[N@H+]1C 107219029 573418465 /nfs/dbraw/zinc/41/84/65/573418465.db2.gz CBUDFQCJLVJTLG-DTWKUNHWSA-N 1 1 152.241 1.630 10 30 ADEEMO C[C@H]1C[C@@H](C#N)C[N@H+]1C1CC1 107218622 573418481 /nfs/dbraw/zinc/41/84/81/573418481.db2.gz PMNBHEAMNLUWAU-YUMQZZPRSA-N 1 1 150.225 1.383 10 30 ADEEMO CC[C@H]1[C@@H](CC#N)CC[N@H+]1C 107219005 573420179 /nfs/dbraw/zinc/42/01/79/573420179.db2.gz VAVSKUXFNDVLDU-IUCAKERBSA-N 1 1 152.241 1.630 10 30 ADEEMO CC(C)[C@H]1C[C@@H](C#N)CC[N@H+]1C 107222286 573421191 /nfs/dbraw/zinc/42/11/91/573421191.db2.gz VMWGMBLTPWRPNI-VHSXEESVSA-N 1 1 166.268 1.876 10 30 ADEEMO C[C@@H]1C[C@@H](CC#N)C[N@H+]1C1CC1 107221464 573422362 /nfs/dbraw/zinc/42/23/62/573422362.db2.gz MXGHLDZDMFPYIA-RKDXNWHRSA-N 1 1 164.252 1.773 10 30 ADEEMO CC(C)[C@H]1C[C@H](C#N)CC[N@H+]1C 107222279 573422433 /nfs/dbraw/zinc/42/24/33/573422433.db2.gz VMWGMBLTPWRPNI-NXEZZACHSA-N 1 1 166.268 1.876 10 30 ADEEMO COc1cccc([C@@](C)([NH3+])CC#N)c1 238391165 573422606 /nfs/dbraw/zinc/42/26/06/573422606.db2.gz IOONIHGNXQBNIE-NSHDSACASA-N 1 1 190.246 1.783 10 30 ADEEMO CC(C)[C@H]1[C@@H](CC#N)CC[N@H+]1C 107222368 573422699 /nfs/dbraw/zinc/42/26/99/573422699.db2.gz VBFQGGRANKIIEU-UWVGGRQHSA-N 1 1 166.268 1.876 10 30 ADEEMO C[N@H+]1CCC[C@H](CC(F)(F)C=O)C1 257810772 573422875 /nfs/dbraw/zinc/42/28/75/573422875.db2.gz APOUCDDFJRDXNF-MRVPVSSYSA-N 1 1 191.221 1.553 10 30 ADEEMO C=C(CO)[C@@H]1CCC[N@@H+]1CC 258026346 573423053 /nfs/dbraw/zinc/42/30/53/573423053.db2.gz BUCUYBYFTKSUSG-VIFPVBQESA-N 1 1 155.241 1.019 10 30 ADEEMO C[C@H]1C[C@H](CC#N)C[N@H+]1C1CC1 107221461 573423056 /nfs/dbraw/zinc/42/30/56/573423056.db2.gz MXGHLDZDMFPYIA-IUCAKERBSA-N 1 1 164.252 1.773 10 30 ADEEMO CC[N@H+]1CC=C(CS)C1 258027079 573426110 /nfs/dbraw/zinc/42/61/10/573426110.db2.gz JXJSPXDEIZSIJP-UHFFFAOYSA-N 1 1 143.255 1.178 10 30 ADEEMO C[C@H](O)CC[N@H+](CCC#N)C1CC1 133777928 573425996 /nfs/dbraw/zinc/42/59/96/573425996.db2.gz VNNAMEHQIIHUKH-VIFPVBQESA-N 1 1 182.267 1.135 10 30 ADEEMO C[C@H](O)CC[N@@H+](CCC#N)C1CC1 133777928 573426001 /nfs/dbraw/zinc/42/60/01/573426001.db2.gz VNNAMEHQIIHUKH-VIFPVBQESA-N 1 1 182.267 1.135 10 30 ADEEMO C=CCN(CC=C)CC[C@@H]([NH3+])C1CC1 130000498 573426023 /nfs/dbraw/zinc/42/60/23/573426023.db2.gz DEPFIHQOONCWJC-GFCCVEGCSA-N 1 1 194.322 1.788 10 30 ADEEMO C[N@H+]1CCC[C@H](c2cc(C#N)n[nH]2)C1 259448043 573428081 /nfs/dbraw/zinc/42/80/81/573428081.db2.gz VSRGIBLDOAKCAF-QMMMGPOBSA-N 1 1 190.250 1.091 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCC[C@H](C)[C@H]1CN 69727249 573431917 /nfs/dbraw/zinc/43/19/17/573431917.db2.gz DRHAADFJROXUKV-GARJFASQSA-N 1 1 182.311 1.620 10 30 ADEEMO C=C[C@H](C)N1CCC[C@H](C)[C@H]1C[NH3+] 69727249 573431921 /nfs/dbraw/zinc/43/19/21/573431921.db2.gz DRHAADFJROXUKV-GARJFASQSA-N 1 1 182.311 1.620 10 30 ADEEMO C[C@H](C#N)C[NH+]1CC=CC1 118879271 573432698 /nfs/dbraw/zinc/43/26/98/573432698.db2.gz BUOACVQFWVPMFJ-MRVPVSSYSA-N 1 1 136.198 1.018 10 30 ADEEMO N#Cc1ccccc1NC1=[NH+]CCC1 86454436 573432917 /nfs/dbraw/zinc/43/29/17/573432917.db2.gz VWPNAMDNXBNWNY-UHFFFAOYSA-N 1 1 185.230 1.972 10 30 ADEEMO C=CC[N@H+](CC)Cc1ccnc(N)c1 308580903 573435192 /nfs/dbraw/zinc/43/51/92/573435192.db2.gz PENVGYLRWRNVFU-UHFFFAOYSA-N 1 1 191.278 1.672 10 30 ADEEMO CC[C@H](CC#N)[NH+]1CC=CC1 118879301 573435685 /nfs/dbraw/zinc/43/56/85/573435685.db2.gz VUGCVRWDWBNTEG-SECBINFHSA-N 1 1 150.225 1.550 10 30 ADEEMO CC(C)[N@H+]1CC[C@H](CC#CCO)C1 258344430 573436663 /nfs/dbraw/zinc/43/66/63/573436663.db2.gz XYKNITPNDPRVNJ-NSHDSACASA-N 1 1 181.279 1.103 10 30 ADEEMO C[NH2+]CCc1cc(F)c(O)c(C#N)c1 258021768 573437618 /nfs/dbraw/zinc/43/76/18/573437618.db2.gz IJIUTMGGFKWQJI-UHFFFAOYSA-N 1 1 194.209 1.165 10 30 ADEEMO C#CCC[N@H+]1CC[C@H](C)C[C@@H]1CN 235595879 573438102 /nfs/dbraw/zinc/43/81/02/573438102.db2.gz ODETWLFMUBFAQR-WDEREUQCSA-N 1 1 180.295 1.069 10 30 ADEEMO C#CCC[N@@H+]1CC[C@H](C)C[C@@H]1CN 235595879 573438104 /nfs/dbraw/zinc/43/81/04/573438104.db2.gz ODETWLFMUBFAQR-WDEREUQCSA-N 1 1 180.295 1.069 10 30 ADEEMO COc1ccc([C@@H]([NH3+])C=O)c(C)c1C 259451430 573438651 /nfs/dbraw/zinc/43/86/51/573438651.db2.gz QMTSFCAAOCKHBI-JTQLQIEISA-N 1 1 193.246 1.511 10 30 ADEEMO COc1ccc([C@H]([NH3+])C=O)c(C)c1C 259451432 573439276 /nfs/dbraw/zinc/43/92/76/573439276.db2.gz QMTSFCAAOCKHBI-SNVBAGLBSA-N 1 1 193.246 1.511 10 30 ADEEMO C[NH2+][C@@H](S)c1ccc2c(c1)OCO2 259451012 573439564 /nfs/dbraw/zinc/43/95/64/573439564.db2.gz OZZJYAATVOIWEQ-VIFPVBQESA-N 1 1 197.259 1.563 10 30 ADEEMO C#CCN[C@@H](C)C[NH+]1CCCCC1 50522162 573439693 /nfs/dbraw/zinc/43/96/93/573439693.db2.gz JVGUJWMBLCDEBI-NSHDSACASA-N 1 1 180.295 1.084 10 30 ADEEMO N#Cc1cc(/C=C/C[NH3+])cc(F)c1O 258021567 573439756 /nfs/dbraw/zinc/43/97/56/573439756.db2.gz IEYNWISGHQXWAY-OWOJBTEDSA-N 1 1 192.193 1.375 10 30 ADEEMO CC(C)[N@H+]1CC[C@@H](CC#CCO)C1 258344429 573440039 /nfs/dbraw/zinc/44/00/39/573440039.db2.gz XYKNITPNDPRVNJ-LLVKDONJSA-N 1 1 181.279 1.103 10 30 ADEEMO C=CCN[C@H](C)C[NH+]1CCCC1 50522133 573440144 /nfs/dbraw/zinc/44/01/44/573440144.db2.gz GLMIOEKUMRNJJR-SNVBAGLBSA-N 1 1 168.284 1.246 10 30 ADEEMO C[NH2+][C@H](S)c1ccc2c(c1)OCO2 259451009 573440890 /nfs/dbraw/zinc/44/08/90/573440890.db2.gz OZZJYAATVOIWEQ-SECBINFHSA-N 1 1 197.259 1.563 10 30 ADEEMO C#CCN[C@H](CC[NH+](C)C)C(C)(C)C 308586552 573442820 /nfs/dbraw/zinc/44/28/20/573442820.db2.gz IORBVJVVWPZRFJ-LLVKDONJSA-N 1 1 196.338 1.576 10 30 ADEEMO C#CC[NH2+][C@H](CCN(C)C)C(C)(C)C 308586552 573442826 /nfs/dbraw/zinc/44/28/26/573442826.db2.gz IORBVJVVWPZRFJ-LLVKDONJSA-N 1 1 196.338 1.576 10 30 ADEEMO C#CCN[C@H](C)C[NH+]1CCCCC1 50522164 573442840 /nfs/dbraw/zinc/44/28/40/573442840.db2.gz JVGUJWMBLCDEBI-LLVKDONJSA-N 1 1 180.295 1.084 10 30 ADEEMO C=CC[NH2+][C@@H](C)CCN(C)C 50522210 573442928 /nfs/dbraw/zinc/44/29/28/573442928.db2.gz FVZXBKPAAJCTPK-VIFPVBQESA-N 1 1 156.273 1.102 10 30 ADEEMO C=C(CN)[C@H]1CCCC[N@H+]1CC 258355523 573443639 /nfs/dbraw/zinc/44/36/39/573443639.db2.gz YVUQRPPDCBQUHD-SNVBAGLBSA-N 1 1 168.284 1.376 10 30 ADEEMO C=C(CN)[C@H]1CCCC[N@@H+]1CC 258355523 573443646 /nfs/dbraw/zinc/44/36/46/573443646.db2.gz YVUQRPPDCBQUHD-SNVBAGLBSA-N 1 1 168.284 1.376 10 30 ADEEMO COc1cc(C)c([C@@H]([NH3+])C=O)cc1C 259449454 573443998 /nfs/dbraw/zinc/44/39/98/573443998.db2.gz QKHCQZABWIPDHS-JTQLQIEISA-N 1 1 193.246 1.511 10 30 ADEEMO C=CCC[N@H+](C)Cc1cnc(N)nc1 308585785 573444305 /nfs/dbraw/zinc/44/43/05/573444305.db2.gz RUUDQJPZGFQESS-UHFFFAOYSA-N 1 1 192.266 1.067 10 30 ADEEMO C=CC[NH2+][C@H](C)CCN(C)C 50522212 573444387 /nfs/dbraw/zinc/44/43/87/573444387.db2.gz FVZXBKPAAJCTPK-SECBINFHSA-N 1 1 156.273 1.102 10 30 ADEEMO CSC#CC(C)(C)[N@@H+](C)CCO 238399101 573449006 /nfs/dbraw/zinc/44/90/06/573449006.db2.gz JESBCTUYXCIOBW-UHFFFAOYSA-N 1 1 187.308 1.013 10 30 ADEEMO C=CC[N@@H+](CCO)Cc1ccoc1 138152587 573446969 /nfs/dbraw/zinc/44/69/69/573446969.db2.gz AMZOOJYJUPKXJW-UHFFFAOYSA-N 1 1 181.235 1.260 10 30 ADEEMO C=CC[N@H+](CCO)Cc1ccoc1 138152587 573446975 /nfs/dbraw/zinc/44/69/75/573446975.db2.gz AMZOOJYJUPKXJW-UHFFFAOYSA-N 1 1 181.235 1.260 10 30 ADEEMO C[C@]([NH3+])(C#N)CCCOC1CCC1 50521402 573447123 /nfs/dbraw/zinc/44/71/23/573447123.db2.gz CBYONIVAWSKDMD-SNVBAGLBSA-N 1 1 182.267 1.577 10 30 ADEEMO C[N@@H+](CCC#N)C[C@@H]1CCC[C@H](O)C1 308587658 573447309 /nfs/dbraw/zinc/44/73/09/573447309.db2.gz SVRHVJIVPMIGRG-MNOVXSKESA-N 1 1 196.294 1.383 10 30 ADEEMO C[N@@H+](CCC#N)C[C@H]1CCC[C@H](O)C1 308587659 573447324 /nfs/dbraw/zinc/44/73/24/573447324.db2.gz SVRHVJIVPMIGRG-QWRGUYRKSA-N 1 1 196.294 1.383 10 30 ADEEMO CC(C)[N@H+]1CCCC[C@@H]1C#CCO 258350276 573447594 /nfs/dbraw/zinc/44/75/94/573447594.db2.gz YKDNLXSUBVLTHE-LLVKDONJSA-N 1 1 181.279 1.245 10 30 ADEEMO C[C@@]([NH3+])(C#N)CCCOC1CCC1 50521403 573447652 /nfs/dbraw/zinc/44/76/52/573447652.db2.gz CBYONIVAWSKDMD-JTQLQIEISA-N 1 1 182.267 1.577 10 30 ADEEMO C=C(CO)C[C@@H]1CCC[N@@H+]1CC 258352230 573448030 /nfs/dbraw/zinc/44/80/30/573448030.db2.gz YOCUNKRKVFDNEZ-JTQLQIEISA-N 1 1 169.268 1.409 10 30 ADEEMO C=C(CO)C[C@H]1CCC[N@@H+]1CC 258352234 573448044 /nfs/dbraw/zinc/44/80/44/573448044.db2.gz YOCUNKRKVFDNEZ-SNVBAGLBSA-N 1 1 169.268 1.409 10 30 ADEEMO COC(=O)C#CC[C@@H]1CCCC[N@H+]1C 258352325 573448464 /nfs/dbraw/zinc/44/84/64/573448464.db2.gz YPQZNNVEOMGBDW-JTQLQIEISA-N 1 1 195.262 1.037 10 30 ADEEMO CC(C)(C)[N@@H+]1CCC[C@](N)(C#N)C1 259452117 573448512 /nfs/dbraw/zinc/44/85/12/573448512.db2.gz PJGPDERHHXGCSC-JTQLQIEISA-N 1 1 181.283 1.102 10 30 ADEEMO CC(C)(C)[N@H+]1CCC[C@](N)(C#N)C1 259452117 573448519 /nfs/dbraw/zinc/44/85/19/573448519.db2.gz PJGPDERHHXGCSC-JTQLQIEISA-N 1 1 181.283 1.102 10 30 ADEEMO C=C(C)[C@H]1CC[N@H+]([C@H](CO)C(C)C)C1 308588565 573449261 /nfs/dbraw/zinc/44/92/61/573449261.db2.gz NJNLEJYKQCSJQB-NWDGAFQWSA-N 1 1 197.322 1.901 10 30 ADEEMO CC[N@H+]1CCC[C@H](C(F)(F)C=O)C1 257816788 573451657 /nfs/dbraw/zinc/45/16/57/573451657.db2.gz DNUZSAXTHNOGEZ-QMMMGPOBSA-N 1 1 191.221 1.553 10 30 ADEEMO C=C(CC=O)[C@H]1CC[N@H+](C)C1 258350312 573449478 /nfs/dbraw/zinc/44/94/78/573449478.db2.gz YLOZLJBUWNHICK-VIFPVBQESA-N 1 1 153.225 1.083 10 30 ADEEMO C#CCC[NH2+][C@@H](C)c1nnc(CC)o1 308589384 573449497 /nfs/dbraw/zinc/44/94/97/573449497.db2.gz JRNWFKUAIBSEOR-QMMMGPOBSA-N 1 1 193.250 1.306 10 30 ADEEMO CC(C)C[N@H+]1CC[C@@H](N(C)CC#N)C1 258660844 573449687 /nfs/dbraw/zinc/44/96/87/573449687.db2.gz UNYKCYHYYXKMRL-LLVKDONJSA-N 1 1 195.310 1.172 10 30 ADEEMO C[N@@H+](CCC#N)C[C@H]1CCC[C@@H](O)C1 308587660 573449983 /nfs/dbraw/zinc/44/99/83/573449983.db2.gz SVRHVJIVPMIGRG-WDEREUQCSA-N 1 1 196.294 1.383 10 30 ADEEMO C[N@@H+](CCC#N)C[C@@H]1CCC[C@@H](O)C1 308587657 573450612 /nfs/dbraw/zinc/45/06/12/573450612.db2.gz SVRHVJIVPMIGRG-GHMZBOCLSA-N 1 1 196.294 1.383 10 30 ADEEMO C=C(CC=O)[C@@H]1CC[N@H+](C)C1 258350311 573450699 /nfs/dbraw/zinc/45/06/99/573450699.db2.gz YLOZLJBUWNHICK-SECBINFHSA-N 1 1 153.225 1.083 10 30 ADEEMO C[C@]([NH3+])(C#N)CCCCOC1CCC1 50521414 573450945 /nfs/dbraw/zinc/45/09/45/573450945.db2.gz QLVGIMBXKZYZQX-LLVKDONJSA-N 1 1 196.294 1.967 10 30 ADEEMO CC(C)[N@H+]1CCCC[C@H]1C#CCO 258350277 573451734 /nfs/dbraw/zinc/45/17/34/573451734.db2.gz YKDNLXSUBVLTHE-NSHDSACASA-N 1 1 181.279 1.245 10 30 ADEEMO C=C(C)[C@@H]1CC[N@H+]([C@@H](CO)C(C)C)C1 308588561 573451146 /nfs/dbraw/zinc/45/11/46/573451146.db2.gz NJNLEJYKQCSJQB-NEPJUHHUSA-N 1 1 197.322 1.901 10 30 ADEEMO CC[N@H+]1CCC[C@@H](C(F)(F)C=O)C1 257816787 573451150 /nfs/dbraw/zinc/45/11/50/573451150.db2.gz DNUZSAXTHNOGEZ-MRVPVSSYSA-N 1 1 191.221 1.553 10 30 ADEEMO C[C@]([NH3+])(C#N)CCOC1CCC1 50521450 573451185 /nfs/dbraw/zinc/45/11/85/573451185.db2.gz ACRDNYCXAZBDHI-SECBINFHSA-N 1 1 168.240 1.187 10 30 ADEEMO C=C(C)[C@@H]1CC[N@H+]([C@H](CO)C(C)C)C1 308588574 573451411 /nfs/dbraw/zinc/45/14/11/573451411.db2.gz NJNLEJYKQCSJQB-VXGBXAGGSA-N 1 1 197.322 1.901 10 30 ADEEMO CC[N@H+]1CC[C@H](C#N)C1(C)C 259450108 573452195 /nfs/dbraw/zinc/45/21/95/573452195.db2.gz PCKFYMPMUMXHDL-MRVPVSSYSA-N 1 1 152.241 1.630 10 30 ADEEMO C=C(C)[C@H]1CC[N@H+]([C@@H](CO)C(C)C)C1 308588569 573452301 /nfs/dbraw/zinc/45/23/01/573452301.db2.gz NJNLEJYKQCSJQB-RYUDHWBXSA-N 1 1 197.322 1.901 10 30 ADEEMO COC(=O)C#CC[C@H]1CCCC[N@H+]1C 258352327 573452460 /nfs/dbraw/zinc/45/24/60/573452460.db2.gz YPQZNNVEOMGBDW-SNVBAGLBSA-N 1 1 195.262 1.037 10 30 ADEEMO CC(C)[C@H](C#N)[C@@H]([NH3+])c1ccncc1 259456273 573454173 /nfs/dbraw/zinc/45/41/73/573454173.db2.gz OMPBHZBAYAZANO-QWRGUYRKSA-N 1 1 189.262 1.877 10 30 ADEEMO CC[C@H](C)[N@@H+]1CCC[C@@](N)(C#N)C1 259456710 573454931 /nfs/dbraw/zinc/45/49/31/573454931.db2.gz WPTUIOHOECUACD-VHSXEESVSA-N 1 1 181.283 1.102 10 30 ADEEMO CC[C@H](C)[N@H+]1CCC[C@@](N)(C#N)C1 259456710 573454933 /nfs/dbraw/zinc/45/49/33/573454933.db2.gz WPTUIOHOECUACD-VHSXEESVSA-N 1 1 181.283 1.102 10 30 ADEEMO C=C(CNC)[C@@H]1CCC[N@H+]1CC 258364439 573454979 /nfs/dbraw/zinc/45/49/79/573454979.db2.gz ZQFTZPYAFVDNCB-JTQLQIEISA-N 1 1 168.284 1.246 10 30 ADEEMO C=C(CNC)[C@@H]1CCC[N@@H+]1CC 258364439 573454980 /nfs/dbraw/zinc/45/49/80/573454980.db2.gz ZQFTZPYAFVDNCB-JTQLQIEISA-N 1 1 168.284 1.246 10 30 ADEEMO CCO[C@]1(CC=O)CC[N@@H+](CC)C1 257817875 573455399 /nfs/dbraw/zinc/45/53/99/573455399.db2.gz DUSOZUWCCVTFLV-JTQLQIEISA-N 1 1 185.267 1.076 10 30 ADEEMO COc1ccc([C@@H]([NH3+])CC#N)c(N)c1 238401269 573455455 /nfs/dbraw/zinc/45/54/55/573455455.db2.gz UNBRUZRBHQEDLR-VIFPVBQESA-N 1 1 191.234 1.191 10 30 ADEEMO C=CCC[N@@H+](C)Cc1ccc(CN)o1 308591510 573455460 /nfs/dbraw/zinc/45/54/60/573455460.db2.gz PEAHXVCQMWXHMN-UHFFFAOYSA-N 1 1 194.278 1.746 10 30 ADEEMO C=CCC[N@H+](C)Cc1ccc(CN)o1 308591510 573455467 /nfs/dbraw/zinc/45/54/67/573455467.db2.gz PEAHXVCQMWXHMN-UHFFFAOYSA-N 1 1 194.278 1.746 10 30 ADEEMO CO[C@]1(CC=O)CC[N@H+](C(C)C)C1 257814023 573455765 /nfs/dbraw/zinc/45/57/65/573455765.db2.gz CILVQDNZKURFKA-JTQLQIEISA-N 1 1 185.267 1.075 10 30 ADEEMO C=C(CNC)[C@H]1CCC[N@H+]1CC 258364440 573455898 /nfs/dbraw/zinc/45/58/98/573455898.db2.gz ZQFTZPYAFVDNCB-SNVBAGLBSA-N 1 1 168.284 1.246 10 30 ADEEMO C=C(CNC)[C@H]1CCC[N@@H+]1CC 258364440 573455904 /nfs/dbraw/zinc/45/59/04/573455904.db2.gz ZQFTZPYAFVDNCB-SNVBAGLBSA-N 1 1 168.284 1.246 10 30 ADEEMO CO[C@@]1(CC=O)CC[N@H+](C(C)C)C1 257814024 573455940 /nfs/dbraw/zinc/45/59/40/573455940.db2.gz CILVQDNZKURFKA-SNVBAGLBSA-N 1 1 185.267 1.075 10 30 ADEEMO CC[C@H](C)[N@@H+]1CCC[C@](N)(C#N)C1 259456708 573456090 /nfs/dbraw/zinc/45/60/90/573456090.db2.gz WPTUIOHOECUACD-UWVGGRQHSA-N 1 1 181.283 1.102 10 30 ADEEMO CC[C@H](C)[N@H+]1CCC[C@](N)(C#N)C1 259456708 573456095 /nfs/dbraw/zinc/45/60/95/573456095.db2.gz WPTUIOHOECUACD-UWVGGRQHSA-N 1 1 181.283 1.102 10 30 ADEEMO C=C(C)C[N@H+]1CCC[C@H](C)[C@H]1CN 69727260 573456199 /nfs/dbraw/zinc/45/61/99/573456199.db2.gz ZICUNNMZUGXKGE-WDEREUQCSA-N 1 1 182.311 1.622 10 30 ADEEMO C=C(C)C[N@@H+]1CCC[C@H](C)[C@H]1CN 69727260 573456206 /nfs/dbraw/zinc/45/62/06/573456206.db2.gz ZICUNNMZUGXKGE-WDEREUQCSA-N 1 1 182.311 1.622 10 30 ADEEMO C=C(C[C@@H]1CC[N@@H+](C)C1)C(=O)OC 258359344 573456260 /nfs/dbraw/zinc/45/62/60/573456260.db2.gz ZEDRRSGWYJOSGW-VIFPVBQESA-N 1 1 183.251 1.057 10 30 ADEEMO CC(C)[C@H](C#N)[C@H]([NH3+])c1ccncc1 259456274 573456262 /nfs/dbraw/zinc/45/62/62/573456262.db2.gz OMPBHZBAYAZANO-WDEREUQCSA-N 1 1 189.262 1.877 10 30 ADEEMO CCO[C@@]1(CC=O)CC[N@@H+](CC)C1 257817876 573457988 /nfs/dbraw/zinc/45/79/88/573457988.db2.gz DUSOZUWCCVTFLV-SNVBAGLBSA-N 1 1 185.267 1.076 10 30 ADEEMO COC(=O)C#CC[NH+]1CCCCCC1 258033376 573461555 /nfs/dbraw/zinc/46/15/55/573461555.db2.gz ITNQKFJFRUCQOP-UHFFFAOYSA-N 1 1 195.262 1.039 10 30 ADEEMO CCO[C@]1(C=O)CCC[N@H+](C2CC2)C1 257814738 573462081 /nfs/dbraw/zinc/46/20/81/573462081.db2.gz CQIBDLZKQIVKKQ-LLVKDONJSA-N 1 1 197.278 1.219 10 30 ADEEMO C=C(C[C@@H]1CCC[N@H+]1C)C(=O)OC 258367488 573462460 /nfs/dbraw/zinc/46/24/60/573462460.db2.gz ZYXSBJZKLJTFPV-VIFPVBQESA-N 1 1 183.251 1.200 10 30 ADEEMO C=C(C[C@H]1CCC[N@H+]1C)C(=O)OC 258367487 573462493 /nfs/dbraw/zinc/46/24/93/573462493.db2.gz ZYXSBJZKLJTFPV-SECBINFHSA-N 1 1 183.251 1.200 10 30 ADEEMO Cc1cccc2c[nH+]c(CC=O)n12 258383275 573462694 /nfs/dbraw/zinc/46/26/94/573462694.db2.gz TWBWQAQZSYYNSV-UHFFFAOYSA-N 1 1 174.203 1.384 10 30 ADEEMO CC(C)C[N@@H+](CC#CC[NH3+])C(C)C 717436905 573462748 /nfs/dbraw/zinc/46/27/48/573462748.db2.gz HUQJJCVQXYMCNN-UHFFFAOYSA-N 1 1 182.311 1.315 10 30 ADEEMO N#CC[C@H]([NH3+])c1cccc2c1NCC2 211784616 573462792 /nfs/dbraw/zinc/46/27/92/573462792.db2.gz BPVLZBKAUNBLGR-JTQLQIEISA-N 1 1 187.246 1.568 10 30 ADEEMO C=CC[C@H]1C(=O)C[C@@H]2CCCC[N@@H+]21 34589376 573462984 /nfs/dbraw/zinc/46/29/84/573462984.db2.gz KCYDJXJZBLAUOG-UWVGGRQHSA-N 1 1 179.263 1.758 10 30 ADEEMO CCO[C@@]1(C=O)CCC[N@H+](C2CC2)C1 257814739 573463541 /nfs/dbraw/zinc/46/35/41/573463541.db2.gz CQIBDLZKQIVKKQ-NSHDSACASA-N 1 1 197.278 1.219 10 30 ADEEMO C=CC[N@H+](CCO)Cc1ccncc1 126271739 573463859 /nfs/dbraw/zinc/46/38/59/573463859.db2.gz BOYPHSWKWGRVFO-UHFFFAOYSA-N 1 1 192.262 1.062 10 30 ADEEMO C=C(CCO)C[C@@H]1CCC[N@@H+]1C 258367437 573464077 /nfs/dbraw/zinc/46/40/77/573464077.db2.gz ZXDVGCUYSNFSOJ-JTQLQIEISA-N 1 1 169.268 1.409 10 30 ADEEMO CC[N@H+]1CCC[C@H](/C=C\CC=O)C1 258357398 573466884 /nfs/dbraw/zinc/46/68/84/573466884.db2.gz YYAUWMXXQHNMLI-UUSYTGMJSA-N 1 1 181.279 1.864 10 30 ADEEMO C[C@@H](CC#N)NCC[N@H+]1CCC[C@H]1C 308593083 573471141 /nfs/dbraw/zinc/47/11/41/573471141.db2.gz WTFHBCRRDKSVHU-WDEREUQCSA-N 1 1 195.310 1.362 10 30 ADEEMO Cc1ccc(C[NH2+][C@@H](C)CC#N)n1C 308593988 573476562 /nfs/dbraw/zinc/47/65/62/573476562.db2.gz XIGWOOMAMVPULI-VIFPVBQESA-N 1 1 191.278 1.725 10 30 ADEEMO C[N@H+]1CC[C@H](CC(F)(F)C=O)C1 257818357 573475925 /nfs/dbraw/zinc/47/59/25/573475925.db2.gz DXOPYGKUSOQEML-SSDOTTSWSA-N 1 1 177.194 1.162 10 30 ADEEMO COc1ccc([C@H]([NH3+])C=O)cc1Cl 259469166 573476213 /nfs/dbraw/zinc/47/62/13/573476213.db2.gz RODRAKIIOYUFDB-MRVPVSSYSA-N 1 1 199.637 1.547 10 30 ADEEMO C#C[C@H](C)[NH2+][C@@](CN)(CCC)C1CC1 308594335 573476287 /nfs/dbraw/zinc/47/62/87/573476287.db2.gz QUTPKVUJEHXDCM-CMPLNLGQSA-N 1 1 194.322 1.505 10 30 ADEEMO C#C[C@H](C)[NH2+][C@](CN)(CCC)C1CC1 308594336 573477061 /nfs/dbraw/zinc/47/70/61/573477061.db2.gz QUTPKVUJEHXDCM-JQWIXIFHSA-N 1 1 194.322 1.505 10 30 ADEEMO C=CCOC(=O)[C@@H](C)[NH2+]C(C)(C)CC 308585574 573477351 /nfs/dbraw/zinc/47/73/51/573477351.db2.gz IEBOJEDPSKJHTC-SECBINFHSA-N 1 1 199.294 1.882 10 30 ADEEMO C=CCN(C)CC[C@H]([NH3+])C1CC1 130136174 573477128 /nfs/dbraw/zinc/47/71/28/573477128.db2.gz FDAMFIZOZHJWGC-JTQLQIEISA-N 1 1 168.284 1.232 10 30 ADEEMO C=CCOC(=O)[C@H](C)[NH2+]C(C)(C)CC 308585575 573477419 /nfs/dbraw/zinc/47/74/19/573477419.db2.gz IEBOJEDPSKJHTC-VIFPVBQESA-N 1 1 199.294 1.882 10 30 ADEEMO C#C[C@@H](C)[NH2+][C@@](CN)(CCC)C1CC1 308594338 573477453 /nfs/dbraw/zinc/47/74/53/573477453.db2.gz QUTPKVUJEHXDCM-ZYHUDNBSSA-N 1 1 194.322 1.505 10 30 ADEEMO C[NH2+][C@H](S)c1ccccc1 259100695 573477504 /nfs/dbraw/zinc/47/75/04/573477504.db2.gz AISYMEOGRJRQKN-MRVPVSSYSA-N 1 1 153.250 1.834 10 30 ADEEMO COCCC[N@H+]1CCCC[C@H]1CC#N 259100953 573477946 /nfs/dbraw/zinc/47/79/46/573477946.db2.gz ANASLFKIDQRUMN-NSHDSACASA-N 1 1 196.294 1.791 10 30 ADEEMO CCCC[N@@H+](C)CCN[C@H](C)CC#N 308596292 573478912 /nfs/dbraw/zinc/47/89/12/573478912.db2.gz MQUVBGVSPXLFJY-LLVKDONJSA-N 1 1 197.326 1.610 10 30 ADEEMO CO[C@@]1(CC=O)CCC[N@H+](C(C)C)C1 257818536 573481943 /nfs/dbraw/zinc/48/19/43/573481943.db2.gz CRILZNSMHORPHA-LLVKDONJSA-N 1 1 199.294 1.465 10 30 ADEEMO COCC[C@H]1CCC[C@]1([NH3+])C#N 86534471 573482254 /nfs/dbraw/zinc/48/22/54/573482254.db2.gz HLMGUCTVLAEVIF-BDAKNGLRSA-N 1 1 168.240 1.044 10 30 ADEEMO COCC[C@H](C)[N@@H+](C)CCC#N 130143243 573482268 /nfs/dbraw/zinc/48/22/68/573482268.db2.gz DLVOWOZJNYMYLF-VIFPVBQESA-N 1 1 170.256 1.257 10 30 ADEEMO CC[C@H](CC#N)[N@H+]1CCC[C@@H]1CCO 308595125 573482555 /nfs/dbraw/zinc/48/25/55/573482555.db2.gz RJRSYCGFDGJFSP-GHMZBOCLSA-N 1 1 196.294 1.525 10 30 ADEEMO C[C@@H](O)CCC[N@H+]1CCCC[C@H]1C=O 308595832 573482945 /nfs/dbraw/zinc/48/29/45/573482945.db2.gz YQHXPRVGWCWQGA-MNOVXSKESA-N 1 1 199.294 1.201 10 30 ADEEMO Cc1cc(C#N)cc([C@H](C)[NH3+])c1O 238415425 573483144 /nfs/dbraw/zinc/48/31/44/573483144.db2.gz JBLXLPYGJYFUIG-ZETCQYMHSA-N 1 1 176.219 1.592 10 30 ADEEMO COCC[C@H]1CCC[C@@]1([NH3+])C#N 86534475 573483286 /nfs/dbraw/zinc/48/32/86/573483286.db2.gz HLMGUCTVLAEVIF-RKDXNWHRSA-N 1 1 168.240 1.044 10 30 ADEEMO C[C@@H](O)CCC[N@H+]1CCCC[C@@H]1C=O 308595831 573483335 /nfs/dbraw/zinc/48/33/35/573483335.db2.gz YQHXPRVGWCWQGA-GHMZBOCLSA-N 1 1 199.294 1.201 10 30 ADEEMO C[NH2+][C@H](CC#N)c1ccc(F)cc1 259471947 573483345 /nfs/dbraw/zinc/48/33/45/573483345.db2.gz QDUNOTDRHQJTBQ-SNVBAGLBSA-N 1 1 178.210 2.000 10 30 ADEEMO CCCC[N@@H+](C)CCN[C@@H](C)CC#N 308596293 573483403 /nfs/dbraw/zinc/48/34/03/573483403.db2.gz MQUVBGVSPXLFJY-NSHDSACASA-N 1 1 197.326 1.610 10 30 ADEEMO CC[C@H](C#N)[C@@H](N)[C@H]1CCC[N@@H+](C)C1 259471294 573484756 /nfs/dbraw/zinc/48/47/56/573484756.db2.gz PDIGATXYJJMRIN-OUAUKWLOSA-N 1 1 195.310 1.205 10 30 ADEEMO C[N@H+]1CCC[C@@H]1CC(F)(F)C=O 257819092 573484842 /nfs/dbraw/zinc/48/48/42/573484842.db2.gz FGJYMHUMDJAJOI-SSDOTTSWSA-N 1 1 177.194 1.305 10 30 ADEEMO CC[C@H](C#N)[C@@H](N)[C@@H]1CCC[N@@H+](C)C1 259471286 573487167 /nfs/dbraw/zinc/48/71/67/573487167.db2.gz PDIGATXYJJMRIN-GMTAPVOTSA-N 1 1 195.310 1.205 10 30 ADEEMO C[NH2+][C@@H](CC#N)c1ccc(F)cc1 259471946 573487827 /nfs/dbraw/zinc/48/78/27/573487827.db2.gz QDUNOTDRHQJTBQ-JTQLQIEISA-N 1 1 178.210 2.000 10 30 ADEEMO C[C@H](C#N)CN[C@H]1CCC[N@@H+](C)CC1 83418798 573488197 /nfs/dbraw/zinc/48/81/97/573488197.db2.gz PDXQPYMAYAWHGG-MNOVXSKESA-N 1 1 195.310 1.220 10 30 ADEEMO C=CCN1[C@H](C)C[N@H+](C)C[C@H]1CC#N 251760523 573488405 /nfs/dbraw/zinc/48/84/05/573488405.db2.gz UBVFOCKZVMGXRN-GHMZBOCLSA-N 1 1 193.294 1.091 10 30 ADEEMO C=CCN1[C@H](C)C[N@@H+](C)C[C@H]1CC#N 251760523 573488409 /nfs/dbraw/zinc/48/84/09/573488409.db2.gz UBVFOCKZVMGXRN-GHMZBOCLSA-N 1 1 193.294 1.091 10 30 ADEEMO Cc1cc([C@H](C)[NH3+])c(O)c(C#N)c1C 238416344 573488621 /nfs/dbraw/zinc/48/86/21/573488621.db2.gz IBOJSXJCXCVWMY-QMMMGPOBSA-N 1 1 190.246 1.900 10 30 ADEEMO C=CCN[C@]1(C#N)CCC[N@H+](C)CC1 83419636 573488763 /nfs/dbraw/zinc/48/87/63/573488763.db2.gz NFIZRHIQQIGFAN-LLVKDONJSA-N 1 1 193.294 1.140 10 30 ADEEMO N#CC1([C@H]([NH3+])c2cccnc2)CCC1 259472819 573488850 /nfs/dbraw/zinc/48/88/50/573488850.db2.gz PGELYMPFXWYXBY-SNVBAGLBSA-N 1 1 187.246 1.775 10 30 ADEEMO C[N@H+]1CCC[C@](C#N)(NC2CC2)CC1 83419531 573488853 /nfs/dbraw/zinc/48/88/53/573488853.db2.gz ABNMDORZBVGBMB-NSHDSACASA-N 1 1 193.294 1.116 10 30 ADEEMO C=CCN1[C@@H](C)C[N@H+](C)C[C@H]1CC#N 251760524 573489372 /nfs/dbraw/zinc/48/93/72/573489372.db2.gz UBVFOCKZVMGXRN-WDEREUQCSA-N 1 1 193.294 1.091 10 30 ADEEMO C=CCN1[C@@H](C)C[N@@H+](C)C[C@H]1CC#N 251760524 573489375 /nfs/dbraw/zinc/48/93/75/573489375.db2.gz UBVFOCKZVMGXRN-WDEREUQCSA-N 1 1 193.294 1.091 10 30 ADEEMO C[C@H](C#N)CN[C@@H]1CCC[N@@H+](C)CC1 83418789 573489768 /nfs/dbraw/zinc/48/97/68/573489768.db2.gz PDXQPYMAYAWHGG-GHMZBOCLSA-N 1 1 195.310 1.220 10 30 ADEEMO C[N@H+]1CCC[C@@](C#N)(NC2CC2)CC1 83419528 573489842 /nfs/dbraw/zinc/48/98/42/573489842.db2.gz ABNMDORZBVGBMB-LLVKDONJSA-N 1 1 193.294 1.116 10 30 ADEEMO CCCN[C@@]1(C#N)CCC[N@@H+](C)CC1 83419520 573489868 /nfs/dbraw/zinc/48/98/68/573489868.db2.gz IAVWPWHDPQWJJH-NSHDSACASA-N 1 1 195.310 1.364 10 30 ADEEMO C#CC(C)(C)[N@H+](C)C(C)C 197368266 573489882 /nfs/dbraw/zinc/48/98/82/573489882.db2.gz PBPKMJQGQQMCMA-UHFFFAOYSA-N 1 1 139.242 1.738 10 30 ADEEMO CCCN[C@]1(C#N)CCC[N@@H+](C)CC1 83419517 573490282 /nfs/dbraw/zinc/49/02/82/573490282.db2.gz IAVWPWHDPQWJJH-LLVKDONJSA-N 1 1 195.310 1.364 10 30 ADEEMO C#C[C@@H](N[C@H](C)C1C[NH2+]C1)C(C)(C)C 686245335 573491633 /nfs/dbraw/zinc/49/16/33/573491633.db2.gz BCKCLPOOMSOVGC-MWLCHTKSSA-N 1 1 194.322 1.232 10 30 ADEEMO C[C@@H](C#N)CN[C@H]1CCC[N@@H+](C)CC1 83418813 573491730 /nfs/dbraw/zinc/49/17/30/573491730.db2.gz PDXQPYMAYAWHGG-QWRGUYRKSA-N 1 1 195.310 1.220 10 30 ADEEMO C=CCN[C@@]1(C#N)CCC[N@H+](C)CC1 83419640 573491788 /nfs/dbraw/zinc/49/17/88/573491788.db2.gz NFIZRHIQQIGFAN-NSHDSACASA-N 1 1 193.294 1.140 10 30 ADEEMO CC(C)N[C@@]1(C#N)CCC[N@@H+](C)CC1 83419526 573491989 /nfs/dbraw/zinc/49/19/89/573491989.db2.gz GGJOYBBLDZPZBX-NSHDSACASA-N 1 1 195.310 1.362 10 30 ADEEMO C[C@@H](C#N)CN[C@@H]1CCC[N@@H+](C)CC1 83418790 573492024 /nfs/dbraw/zinc/49/20/24/573492024.db2.gz PDXQPYMAYAWHGG-WDEREUQCSA-N 1 1 195.310 1.220 10 30 ADEEMO C=C(CCO)[C@H]1CCC[N@H+](CC)C1 258040376 573492130 /nfs/dbraw/zinc/49/21/30/573492130.db2.gz CNHUYJWCVZFGGO-NSHDSACASA-N 1 1 183.295 1.657 10 30 ADEEMO CCCCC[N@H+]1CC[C@H](NCC#N)C1 259470167 573492203 /nfs/dbraw/zinc/49/22/03/573492203.db2.gz XXYDIYIKECWFOY-NSHDSACASA-N 1 1 195.310 1.364 10 30 ADEEMO C#C[C@H](N[C@H](C)C1C[NH2+]C1)C(C)(C)C 686245334 573492706 /nfs/dbraw/zinc/49/27/06/573492706.db2.gz BCKCLPOOMSOVGC-KOLCDFICSA-N 1 1 194.322 1.232 10 30 ADEEMO CC#CC[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C 222682850 573492766 /nfs/dbraw/zinc/49/27/66/573492766.db2.gz JAWZRHNTFAVDME-RYUDHWBXSA-N 1 1 194.322 1.330 10 30 ADEEMO CC#CC[NH2+][C@H]1CCN(CC)C[C@@H]1C 222682850 573492771 /nfs/dbraw/zinc/49/27/71/573492771.db2.gz JAWZRHNTFAVDME-RYUDHWBXSA-N 1 1 194.322 1.330 10 30 ADEEMO CCCCC[N@H+]1CC[C@@H](NCC#N)C1 259470165 573492827 /nfs/dbraw/zinc/49/28/27/573492827.db2.gz XXYDIYIKECWFOY-LLVKDONJSA-N 1 1 195.310 1.364 10 30 ADEEMO C#C[C@H](N[C@@H](C)C1C[NH2+]C1)C(C)(C)C 686245336 573493388 /nfs/dbraw/zinc/49/33/88/573493388.db2.gz BCKCLPOOMSOVGC-ONGXEEELSA-N 1 1 194.322 1.232 10 30 ADEEMO CC[N@@H+]1CCCC[C@@H]1C#CC(=O)OC 258040426 573494730 /nfs/dbraw/zinc/49/47/30/573494730.db2.gz CNPHNSKZACOXQH-SNVBAGLBSA-N 1 1 195.262 1.037 10 30 ADEEMO CC[N@H+]1CCCC[C@@H]1C#CC(=O)OC 258040426 573494735 /nfs/dbraw/zinc/49/47/35/573494735.db2.gz CNPHNSKZACOXQH-SNVBAGLBSA-N 1 1 195.262 1.037 10 30 ADEEMO C#CCCC[N@H+](C)CC(C)(C)C#N 308393741 573494850 /nfs/dbraw/zinc/49/48/50/573494850.db2.gz CAZRTJDHMXKJHB-UHFFFAOYSA-N 1 1 178.279 1.881 10 30 ADEEMO N#C[C@@]1([NH+]2CCCC2)CCCOCC1 83426660 573494975 /nfs/dbraw/zinc/49/49/75/573494975.db2.gz ATXFARYOTHPRAG-LLVKDONJSA-N 1 1 194.278 1.545 10 30 ADEEMO N#CC1(C#N)CC[NH+](C2CC2)CC1 259476592 573495305 /nfs/dbraw/zinc/49/53/05/573495305.db2.gz YLYZWTMVDDSVPO-UHFFFAOYSA-N 1 1 175.235 1.278 10 30 ADEEMO C=C[C@H]1CC(=O)[C@]2(C)CCCC[N@@H+]12 238428751 573496304 /nfs/dbraw/zinc/49/63/04/573496304.db2.gz RREBJTJHKRDYSZ-ONGXEEELSA-N 1 1 179.263 1.758 10 30 ADEEMO C[N@H+]1CCC[C@@H](CNC(C)(C)C#N)C1 258695163 573496343 /nfs/dbraw/zinc/49/63/43/573496343.db2.gz DEYPIAOPLONDKI-JTQLQIEISA-N 1 1 195.310 1.220 10 30 ADEEMO CCCC[N@H+]1CCC[C@H](NCC#N)C1 258689507 573496384 /nfs/dbraw/zinc/49/63/84/573496384.db2.gz WXSPYXJPNFMROH-NSHDSACASA-N 1 1 195.310 1.364 10 30 ADEEMO CC[NH+](CC)[C@]1(C#N)CCCOCC1 83426658 573496413 /nfs/dbraw/zinc/49/64/13/573496413.db2.gz DKTBVILCEATGFG-LLVKDONJSA-N 1 1 196.294 1.791 10 30 ADEEMO C[C@@H](C#N)Nc1ccc2[nH]c[nH+]c2c1 258695663 573496419 /nfs/dbraw/zinc/49/64/19/573496419.db2.gz DJOWZFVAVKSMPW-ZETCQYMHSA-N 1 1 186.218 1.887 10 30 ADEEMO C[N@H+]1CCC[C@H](CNC(C)(C)C#N)C1 258695168 573496554 /nfs/dbraw/zinc/49/65/54/573496554.db2.gz DEYPIAOPLONDKI-SNVBAGLBSA-N 1 1 195.310 1.220 10 30 ADEEMO C=CC[N@@H+]1C[C@H](C#N)CC1(C)C 259474636 573496565 /nfs/dbraw/zinc/49/65/65/573496565.db2.gz RAGJFUGBGWFYTH-VIFPVBQESA-N 1 1 164.252 1.796 10 30 ADEEMO C[C@H](C#N)N(C)C[C@@H]1CCC[N@@H+](C)C1 258705250 573497770 /nfs/dbraw/zinc/49/77/70/573497770.db2.gz FBEMSPMJZKTJKQ-GHMZBOCLSA-N 1 1 195.310 1.172 10 30 ADEEMO C=CCN[C@H]1CC[NH2+]C(C)(C)C1 258697642 573497881 /nfs/dbraw/zinc/49/78/81/573497881.db2.gz JUNFNIOOGHWIRK-VIFPVBQESA-N 1 1 168.284 1.293 10 30 ADEEMO C[C@H]([NH3+])c1cc(Cl)c(C#N)cc1O 238417649 573498411 /nfs/dbraw/zinc/49/84/11/573498411.db2.gz ISMDLOBVRAHVPG-YFKPBYRVSA-N 1 1 196.637 1.937 10 30 ADEEMO CCCC[N@H+]1CC[C@@H](N(C)CC#N)C1 258698997 573498778 /nfs/dbraw/zinc/49/87/78/573498778.db2.gz XTHDNDQZYHBBID-LLVKDONJSA-N 1 1 195.310 1.316 10 30 ADEEMO C[C@@H]1CCC[C@]([NH3+])(C#N)CC1 83428296 573498949 /nfs/dbraw/zinc/49/89/49/573498949.db2.gz UGGBPQBQHYOBOQ-RKDXNWHRSA-N 1 1 152.241 1.808 10 30 ADEEMO Cc1c(C#N)cc([C@@H](C)[NH3+])c(O)c1C 238417569 573501429 /nfs/dbraw/zinc/50/14/29/573501429.db2.gz WYTBEJYBOMVWFJ-MRVPVSSYSA-N 1 1 190.246 1.900 10 30 ADEEMO CC[N@H+]1CCC[C@H]1CC#CC(=O)OC 258047253 573501568 /nfs/dbraw/zinc/50/15/68/573501568.db2.gz CXCMQMVNUICJTA-SNVBAGLBSA-N 1 1 195.262 1.037 10 30 ADEEMO C[C@]1(F)CCC[N@@H+](CC=O)CC1 258044754 573501764 /nfs/dbraw/zinc/50/17/64/573501764.db2.gz JMPIQBXOBQIJLR-VIFPVBQESA-N 1 1 173.231 1.399 10 30 ADEEMO C[C@@H]1CCC[C@@]([NH3+])(C#N)CC1 83428298 573501845 /nfs/dbraw/zinc/50/18/45/573501845.db2.gz UGGBPQBQHYOBOQ-BDAKNGLRSA-N 1 1 152.241 1.808 10 30 ADEEMO C=C1CCC[N@H+](C[C@H](C)COC)C1 308397900 573502019 /nfs/dbraw/zinc/50/20/19/573502019.db2.gz FNEFROBGQUYZIH-NSHDSACASA-N 1 1 183.295 1.921 10 30 ADEEMO CCO[C@H]1CC[N@@H+](C)C[C@H]1CC#N 259479031 573504680 /nfs/dbraw/zinc/50/46/80/573504680.db2.gz BRTVWKOTOLFDLN-ZJUUUORDSA-N 1 1 182.267 1.257 10 30 ADEEMO C[N@H+](CC=O)CCCCC(C)(C)C#N 714703437 573502329 /nfs/dbraw/zinc/50/23/29/573502329.db2.gz BKNPXJYUSNRPKI-UHFFFAOYSA-N 1 1 196.294 1.837 10 30 ADEEMO C[C@H](C#N)N(C)C[C@H]1CCC[N@@H+](C)C1 258705252 573502434 /nfs/dbraw/zinc/50/24/34/573502434.db2.gz FBEMSPMJZKTJKQ-MNOVXSKESA-N 1 1 195.310 1.172 10 30 ADEEMO C=CCN[C@@H]1CC[NH2+]C(C)(C)C1 258697639 573502653 /nfs/dbraw/zinc/50/26/53/573502653.db2.gz JUNFNIOOGHWIRK-SECBINFHSA-N 1 1 168.284 1.293 10 30 ADEEMO C=C1CCC[N@H+](C[C@@H](C)COC)C1 308397899 573502664 /nfs/dbraw/zinc/50/26/64/573502664.db2.gz FNEFROBGQUYZIH-LLVKDONJSA-N 1 1 183.295 1.921 10 30 ADEEMO CCCC[N@H+]1CC[C@H](N(C)CC#N)C1 258699000 573502642 /nfs/dbraw/zinc/50/26/42/573502642.db2.gz XTHDNDQZYHBBID-NSHDSACASA-N 1 1 195.310 1.316 10 30 ADEEMO CCc1cn2c(CC#N)c[nH+]c2[nH]1 259480736 573504162 /nfs/dbraw/zinc/50/41/62/573504162.db2.gz AGXQXDLCUHUKCS-UHFFFAOYSA-N 1 1 174.207 1.291 10 30 ADEEMO CCCC[N@@H+](C)CC1(C#N)COC1 258707303 573504672 /nfs/dbraw/zinc/50/46/72/573504672.db2.gz RZROVBIATFHKPW-UHFFFAOYSA-N 1 1 182.267 1.258 10 30 ADEEMO C[N@H+]1CCC(C)(C)[C@H](CC#N)C1 259108941 573504623 /nfs/dbraw/zinc/50/46/23/573504623.db2.gz BCRJTWXJZUNIKF-SECBINFHSA-N 1 1 166.268 1.878 10 30 ADEEMO C[C@@H](C#N)C[N@H+](C)[C@@H]1CCCC(=O)C1 86600770 573505788 /nfs/dbraw/zinc/50/57/88/573505788.db2.gz FNTWKCCOTCOQTC-VHSXEESVSA-N 1 1 194.278 1.590 10 30 ADEEMO C[C@@H](C#N)C[N@@H+](C)[C@@H]1CCCC(=O)C1 86600770 573505791 /nfs/dbraw/zinc/50/57/91/573505791.db2.gz FNTWKCCOTCOQTC-VHSXEESVSA-N 1 1 194.278 1.590 10 30 ADEEMO C[N@@H+](CCC#N)[C@@H]1CCCC(=O)C1 86600560 573505889 /nfs/dbraw/zinc/50/58/89/573505889.db2.gz AWQXWJFPWRBIBW-SECBINFHSA-N 1 1 180.251 1.344 10 30 ADEEMO Cc1ccccc1[C@@H](C=O)[NH+](C)C 259479745 573505712 /nfs/dbraw/zinc/50/57/12/573505712.db2.gz KPFGYVLPIZZKSM-LLVKDONJSA-N 1 1 177.247 1.797 10 30 ADEEMO Cc1ccccc1[C@H](C=O)[NH+](C)C 259479747 573505761 /nfs/dbraw/zinc/50/57/61/573505761.db2.gz KPFGYVLPIZZKSM-NSHDSACASA-N 1 1 177.247 1.797 10 30 ADEEMO C[N@H+](CCC#N)[C@@H]1CCCC(=O)C1 86600560 573505878 /nfs/dbraw/zinc/50/58/78/573505878.db2.gz AWQXWJFPWRBIBW-SECBINFHSA-N 1 1 180.251 1.344 10 30 ADEEMO C[C@@H]([NH3+])c1cc(Cl)c(C#N)cc1O 238419743 573507083 /nfs/dbraw/zinc/50/70/83/573507083.db2.gz ISMDLOBVRAHVPG-RXMQYKEDSA-N 1 1 196.637 1.937 10 30 ADEEMO CC[N@H+]1CC[C@@H](C#N)[C@@H]1C 259110811 573507549 /nfs/dbraw/zinc/50/75/49/573507549.db2.gz BILULVPFXXAIOE-YUMQZZPRSA-N 1 1 138.214 1.240 10 30 ADEEMO C#CCN(CC1CC1)C[C@H](C)C[NH2+]C 130272607 573507798 /nfs/dbraw/zinc/50/77/98/573507798.db2.gz PALIFUIAFGBXNI-LLVKDONJSA-N 1 1 194.322 1.187 10 30 ADEEMO C[C@@]([NH3+])(CC#N)c1ccccc1F 238421348 573509664 /nfs/dbraw/zinc/50/96/64/573509664.db2.gz YDNQOGICBKKYNN-SNVBAGLBSA-N 1 1 178.210 1.913 10 30 ADEEMO CC[N@H+](CCC#N)[C@H]1CCO[C@H]1C 308397181 573510440 /nfs/dbraw/zinc/51/04/40/573510440.db2.gz FAKQAYGGJUTYKV-UWVGGRQHSA-N 1 1 182.267 1.399 10 30 ADEEMO CC[N@@H+](CCC#N)[C@H]1CCO[C@H]1C 308397181 573510444 /nfs/dbraw/zinc/51/04/44/573510444.db2.gz FAKQAYGGJUTYKV-UWVGGRQHSA-N 1 1 182.267 1.399 10 30 ADEEMO C[N@@H+](CC=O)[C@H]1CCOC2(CCC2)C1 714707237 573510734 /nfs/dbraw/zinc/51/07/34/573510734.db2.gz XKGGXFIFEFIGLE-JTQLQIEISA-N 1 1 197.278 1.219 10 30 ADEEMO C[N@@H+](CC=O)[C@@H]1CCOC2(CCC2)C1 714707238 573510956 /nfs/dbraw/zinc/51/09/56/573510956.db2.gz XKGGXFIFEFIGLE-SNVBAGLBSA-N 1 1 197.278 1.219 10 30 ADEEMO CC[N@@H+](C)[C@@H]1CCC[C@@](C#N)(NC)C1 86604015 573511495 /nfs/dbraw/zinc/51/14/95/573511495.db2.gz KEAFPOMXEZZGOO-GHMZBOCLSA-N 1 1 195.310 1.362 10 30 ADEEMO CC[N@H+](CCC#N)[C@@H]1CCO[C@@H]1C 308397180 573511684 /nfs/dbraw/zinc/51/16/84/573511684.db2.gz FAKQAYGGJUTYKV-NXEZZACHSA-N 1 1 182.267 1.399 10 30 ADEEMO CC[N@@H+](CCC#N)[C@@H]1CCO[C@@H]1C 308397180 573511690 /nfs/dbraw/zinc/51/16/90/573511690.db2.gz FAKQAYGGJUTYKV-NXEZZACHSA-N 1 1 182.267 1.399 10 30 ADEEMO Cc1[nH+]c(CCC#N)c2n1CCCC2 258727205 573511834 /nfs/dbraw/zinc/51/18/34/573511834.db2.gz YIFHOCPLSXRKOF-UHFFFAOYSA-N 1 1 189.262 1.984 10 30 ADEEMO C#CC[NH2+]C(C)(C)CN(CC)CC 308610795 573512742 /nfs/dbraw/zinc/51/27/42/573512742.db2.gz YXCOZCBIEOJWDY-UHFFFAOYSA-N 1 1 182.311 1.330 10 30 ADEEMO CC[N@@H+](C)[C@H]1CCC[C@@](C#N)(NC)C1 86604016 573513063 /nfs/dbraw/zinc/51/30/63/573513063.db2.gz KEAFPOMXEZZGOO-WDEREUQCSA-N 1 1 195.310 1.362 10 30 ADEEMO CC[N@H+](CCC#N)[C@@H]1CCO[C@H]1C 308397182 573513398 /nfs/dbraw/zinc/51/33/98/573513398.db2.gz FAKQAYGGJUTYKV-VHSXEESVSA-N 1 1 182.267 1.399 10 30 ADEEMO CC[N@@H+](CCC#N)[C@@H]1CCO[C@H]1C 308397182 573513404 /nfs/dbraw/zinc/51/34/04/573513404.db2.gz FAKQAYGGJUTYKV-VHSXEESVSA-N 1 1 182.267 1.399 10 30 ADEEMO C#CCN[C@H]1CC[N@H+](C)C[C@H]1CCC 308605557 573515074 /nfs/dbraw/zinc/51/50/74/573515074.db2.gz PMPTUQIRXXLAKI-NEPJUHHUSA-N 1 1 194.322 1.330 10 30 ADEEMO C#CC[NH2+][C@H]1CCN(C)C[C@H]1CCC 308605557 573515093 /nfs/dbraw/zinc/51/50/93/573515093.db2.gz PMPTUQIRXXLAKI-NEPJUHHUSA-N 1 1 194.322 1.330 10 30 ADEEMO Cc1[nH+]cn2c1CC[C@H](CC#N)C2 259484849 573515114 /nfs/dbraw/zinc/51/51/14/573515114.db2.gz AQIUSPXEHKOANM-SECBINFHSA-N 1 1 175.235 1.668 10 30 ADEEMO C=C[C@H](CO)[NH2+]C[C@@H](C#N)C(C)(C)C 717463640 573515360 /nfs/dbraw/zinc/51/53/60/573515360.db2.gz IJSPCKVCIAHKOM-NXEZZACHSA-N 1 1 196.294 1.309 10 30 ADEEMO CC[N@H+]1CCC[C@](CC=O)(OC)CC1 257822778 573515605 /nfs/dbraw/zinc/51/56/05/573515605.db2.gz DTLXNPHNJACYSZ-NSHDSACASA-N 1 1 199.294 1.466 10 30 ADEEMO C=CCC[C@H](C)[N@H+]1C[C@H](C)[C@@H]([NH3+])C1 308604165 573515819 /nfs/dbraw/zinc/51/58/19/573515819.db2.gz BIDKDMRECABJMJ-DCAQKATOSA-N 1 1 182.311 1.620 10 30 ADEEMO C=CCC[C@H](C)[N@@H+]1C[C@H](C)[C@@H](N)C1 308604165 573515826 /nfs/dbraw/zinc/51/58/26/573515826.db2.gz BIDKDMRECABJMJ-DCAQKATOSA-N 1 1 182.311 1.620 10 30 ADEEMO C=CCC[C@H](C)[N@H+]1C[C@H](C)[C@@H](N)C1 308604165 573515834 /nfs/dbraw/zinc/51/58/34/573515834.db2.gz BIDKDMRECABJMJ-DCAQKATOSA-N 1 1 182.311 1.620 10 30 ADEEMO Cc1ncc(C#N)c(-n2cc[nH+]c2C)n1 308868527 573515849 /nfs/dbraw/zinc/51/58/49/573515849.db2.gz LWSPUPOZJZWPAU-UHFFFAOYSA-N 1 1 199.217 1.151 10 30 ADEEMO C=C[C@H](CO)[NH2+]C[C@H](C#N)C(C)(C)C 717463642 573516166 /nfs/dbraw/zinc/51/61/66/573516166.db2.gz IJSPCKVCIAHKOM-VHSXEESVSA-N 1 1 196.294 1.309 10 30 ADEEMO C#CCN(CC)CCC1([NH3+])CCC1 130388085 573516534 /nfs/dbraw/zinc/51/65/34/573516534.db2.gz ZYJXCGARLKEIQG-UHFFFAOYSA-N 1 1 180.295 1.213 10 30 ADEEMO C=CCC[C@H](C)[N@@H+]1C[C@@H]([NH3+])[C@H](C)C1 308604170 573516605 /nfs/dbraw/zinc/51/66/05/573516605.db2.gz BIDKDMRECABJMJ-OUAUKWLOSA-N 1 1 182.311 1.620 10 30 ADEEMO C=CCC[C@H](C)[N@H+]1C[C@@H](N)[C@H](C)C1 308604170 573516610 /nfs/dbraw/zinc/51/66/10/573516610.db2.gz BIDKDMRECABJMJ-OUAUKWLOSA-N 1 1 182.311 1.620 10 30 ADEEMO C=CCC[C@H](C)[N@@H+]1C[C@@H](N)[C@H](C)C1 308604170 573516616 /nfs/dbraw/zinc/51/66/16/573516616.db2.gz BIDKDMRECABJMJ-OUAUKWLOSA-N 1 1 182.311 1.620 10 30 ADEEMO C=CCC[C@H](C)[N@H+]1C[C@H](C)[C@H]([NH3+])C1 308604167 573516667 /nfs/dbraw/zinc/51/66/67/573516667.db2.gz BIDKDMRECABJMJ-GARJFASQSA-N 1 1 182.311 1.620 10 30 ADEEMO C=CCC[C@H](C)[N@@H+]1C[C@H](C)[C@H](N)C1 308604167 573516672 /nfs/dbraw/zinc/51/66/72/573516672.db2.gz BIDKDMRECABJMJ-GARJFASQSA-N 1 1 182.311 1.620 10 30 ADEEMO C=CCC[C@H](C)[N@H+]1C[C@H](C)[C@H](N)C1 308604167 573516675 /nfs/dbraw/zinc/51/66/75/573516675.db2.gz BIDKDMRECABJMJ-GARJFASQSA-N 1 1 182.311 1.620 10 30 ADEEMO CC[NH+]1CCC(C#N)(C#N)CC1 259483690 573516772 /nfs/dbraw/zinc/51/67/72/573516772.db2.gz ZDMKMQFPFMBOBU-UHFFFAOYSA-N 1 1 163.224 1.136 10 30 ADEEMO C[C@H](CC#N)[N@H+](C)[C@@H]1CCC(=O)C1 86618493 573516866 /nfs/dbraw/zinc/51/68/66/573516866.db2.gz SBISNEVCLWXSLL-RKDXNWHRSA-N 1 1 180.251 1.342 10 30 ADEEMO C[C@H](CC#N)[N@@H+](C)[C@@H]1CCC(=O)C1 86618493 573516870 /nfs/dbraw/zinc/51/68/70/573516870.db2.gz SBISNEVCLWXSLL-RKDXNWHRSA-N 1 1 180.251 1.342 10 30 ADEEMO C=C[C@@H](CO)[NH2+]C[C@@H](C#N)C(C)(C)C 717463643 573516977 /nfs/dbraw/zinc/51/69/77/573516977.db2.gz IJSPCKVCIAHKOM-ZJUUUORDSA-N 1 1 196.294 1.309 10 30 ADEEMO CC[N@H+]1CCC[C@@](CC=O)(OC)CC1 257822777 573517145 /nfs/dbraw/zinc/51/71/45/573517145.db2.gz DTLXNPHNJACYSZ-LLVKDONJSA-N 1 1 199.294 1.466 10 30 ADEEMO CN([C@H]1CCC[N@@H+](C)C1)C(C)(C)C#N 258736922 573517167 /nfs/dbraw/zinc/51/71/67/573517167.db2.gz HMIAJALGQROWRZ-JTQLQIEISA-N 1 1 195.310 1.315 10 30 ADEEMO O=CCc1[nH+]cn2ccccc12 107327020 573517752 /nfs/dbraw/zinc/51/77/52/573517752.db2.gz AJCIMOADEBZUIQ-UHFFFAOYSA-N 1 1 160.176 1.076 10 30 ADEEMO COc1cc([C@H]([NH3+])CC#N)cs1 238424123 573518031 /nfs/dbraw/zinc/51/80/31/573518031.db2.gz KTBHWXJAGAXLEI-SSDOTTSWSA-N 1 1 182.248 1.670 10 30 ADEEMO C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 308604171 573518621 /nfs/dbraw/zinc/51/86/21/573518621.db2.gz BIDKDMRECABJMJ-VWYCJHECSA-N 1 1 182.311 1.620 10 30 ADEEMO C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@@H](N)C1 308604171 573518627 /nfs/dbraw/zinc/51/86/27/573518627.db2.gz BIDKDMRECABJMJ-VWYCJHECSA-N 1 1 182.311 1.620 10 30 ADEEMO C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@@H](N)C1 308604171 573518634 /nfs/dbraw/zinc/51/86/34/573518634.db2.gz BIDKDMRECABJMJ-VWYCJHECSA-N 1 1 182.311 1.620 10 30 ADEEMO C#CCN[C@@H]1CC[N@H+](C)C[C@@H]1CCC 308605558 573520067 /nfs/dbraw/zinc/52/00/67/573520067.db2.gz PMPTUQIRXXLAKI-NWDGAFQWSA-N 1 1 194.322 1.330 10 30 ADEEMO CCO[C@@]1(C=O)CC[N@H+](C(C)(C)C)C1 257822842 573520446 /nfs/dbraw/zinc/52/04/46/573520446.db2.gz DVWCWBFXMAGTJD-NSHDSACASA-N 1 1 199.294 1.465 10 30 ADEEMO C#CC[NH2+][C@@H]1CCN(C)C[C@@H]1CCC 308605558 573520084 /nfs/dbraw/zinc/52/00/84/573520084.db2.gz PMPTUQIRXXLAKI-NWDGAFQWSA-N 1 1 194.322 1.330 10 30 ADEEMO CN1CCC[C@H]([NH2+]CCCC#N)CC1 308610907 573520113 /nfs/dbraw/zinc/52/01/13/573520113.db2.gz QROMSOFATTUTRQ-NSHDSACASA-N 1 1 195.310 1.364 10 30 ADEEMO CCO[C@]1(C=O)CC[N@H+](C(C)(C)C)C1 257822841 573520123 /nfs/dbraw/zinc/52/01/23/573520123.db2.gz DVWCWBFXMAGTJD-LLVKDONJSA-N 1 1 199.294 1.465 10 30 ADEEMO CN([C@@H]1CCC[N@@H+](C)C1)C(C)(C)C#N 258736924 573520408 /nfs/dbraw/zinc/52/04/08/573520408.db2.gz HMIAJALGQROWRZ-SNVBAGLBSA-N 1 1 195.310 1.315 10 30 ADEEMO C[C@H]([NH3+])c1ccc(C#N)cc1O 238424417 573520890 /nfs/dbraw/zinc/52/08/90/573520890.db2.gz BYYBIMKWJCORJF-LURJTMIESA-N 1 1 162.192 1.284 10 30 ADEEMO N#CCNc1ccc2[nH]c[nH+]c2c1 258731016 573521238 /nfs/dbraw/zinc/52/12/38/573521238.db2.gz GYQBZSYUAABWMG-UHFFFAOYSA-N 1 1 172.191 1.498 10 30 ADEEMO C=CC[C@H](CC)[NH2+][C@@H](C)C(=O)OCC 308606269 573523088 /nfs/dbraw/zinc/52/30/88/573523088.db2.gz PQPSJKSBLFKFBS-UWVGGRQHSA-N 1 1 199.294 1.882 10 30 ADEEMO C=CC[C@@H](CC)[NH2+][C@@H](C)C(=O)OCC 308606285 573525305 /nfs/dbraw/zinc/52/53/05/573525305.db2.gz PQPSJKSBLFKFBS-VHSXEESVSA-N 1 1 199.294 1.882 10 30 ADEEMO C#CCN(CC)CC(CC)(CC)C[NH3+] 130397253 573525936 /nfs/dbraw/zinc/52/59/36/573525936.db2.gz SBJNKYPKFXMUIG-UHFFFAOYSA-N 1 1 196.338 1.707 10 30 ADEEMO C[N@H+]1CCC[C@@H]([C@@H]2OC2(C)C)C1 259491774 573530349 /nfs/dbraw/zinc/53/03/49/573530349.db2.gz YYEUSLXBNALEPJ-BDAKNGLRSA-N 1 1 169.268 1.506 10 30 ADEEMO CCO[C@]1(CC=O)CC[N@H+](C2CC2)C1 257827580 573527392 /nfs/dbraw/zinc/52/73/92/573527392.db2.gz HXYKQENSKCJFFF-NSHDSACASA-N 1 1 197.278 1.219 10 30 ADEEMO C[NH2+][C@H](CC#N)c1cc[nH]c1 259490904 573527662 /nfs/dbraw/zinc/52/76/62/573527662.db2.gz RICYKTULEHPUPR-MRVPVSSYSA-N 1 1 149.197 1.189 10 30 ADEEMO CC[N@H+]1CCCC[C@@H]1CC#N 211889041 573527859 /nfs/dbraw/zinc/52/78/59/573527859.db2.gz QCNJTVRNEQEWRS-SECBINFHSA-N 1 1 152.241 1.774 10 30 ADEEMO COc1c(N)cccc1[C@@H]([NH3+])CC#N 238426395 573528134 /nfs/dbraw/zinc/52/81/34/573528134.db2.gz UTJWMQAIKMWQJK-QMMMGPOBSA-N 1 1 191.234 1.191 10 30 ADEEMO CC(C)(C)[N@H+]1CC[C@H]1CC#N 211888757 573528781 /nfs/dbraw/zinc/52/87/81/573528781.db2.gz HDAYRAMDXJUGIP-MRVPVSSYSA-N 1 1 152.241 1.773 10 30 ADEEMO C=C[C@]1(O)CC[N@H+](C)[C@H]2CCCC[C@@H]21 206010911 573528845 /nfs/dbraw/zinc/52/88/45/573528845.db2.gz LHMVFLUAASVWDO-SRVKXCTJSA-N 1 1 195.306 1.798 10 30 ADEEMO C[N@H+]1CCC[C@H]([C@H]2OC2(C)C)C1 259491777 573528945 /nfs/dbraw/zinc/52/89/45/573528945.db2.gz YYEUSLXBNALEPJ-DTWKUNHWSA-N 1 1 169.268 1.506 10 30 ADEEMO CN[C@]1(C#N)CC[C@H]([N@@H+](C)C2CC2)C1 86622752 573529967 /nfs/dbraw/zinc/52/99/67/573529967.db2.gz RGZAYNGRWNIWTM-WDEREUQCSA-N 1 1 193.294 1.115 10 30 ADEEMO C#CC[N@H+](CC)C[C@H](C[NH3+])CC(C)C 130411190 573530157 /nfs/dbraw/zinc/53/01/57/573530157.db2.gz IPSOBPKCJRJBKJ-LBPRGKRZSA-N 1 1 196.338 1.563 10 30 ADEEMO C#CCN(CC)C[C@H](C[NH3+])CC(C)C 130411190 573530163 /nfs/dbraw/zinc/53/01/63/573530163.db2.gz IPSOBPKCJRJBKJ-LBPRGKRZSA-N 1 1 196.338 1.563 10 30 ADEEMO C[N@H+]1CCCCC[C@@H]1CC#N 211889406 573530271 /nfs/dbraw/zinc/53/02/71/573530271.db2.gz UHOPOFAGCUWJLX-SECBINFHSA-N 1 1 152.241 1.774 10 30 ADEEMO C=CC[N@@H+]1C[C@@H](CO)CCC1(C)C 259491581 573530902 /nfs/dbraw/zinc/53/09/02/573530902.db2.gz SDLWDOAZFDOBPK-JTQLQIEISA-N 1 1 183.295 1.655 10 30 ADEEMO CCO[C@@]1(CC=O)CC[N@H+](C2CC2)C1 257827579 573530911 /nfs/dbraw/zinc/53/09/11/573530911.db2.gz HXYKQENSKCJFFF-LLVKDONJSA-N 1 1 197.278 1.219 10 30 ADEEMO C=CC[N@@H+]1C[C@H](CO)CCC1(C)C 259491582 573531830 /nfs/dbraw/zinc/53/18/30/573531830.db2.gz SDLWDOAZFDOBPK-SNVBAGLBSA-N 1 1 183.295 1.655 10 30 ADEEMO C#CCN(CC)C[C@@H](C[NH3+])CC(C)C 130411384 573535232 /nfs/dbraw/zinc/53/52/32/573535232.db2.gz IPSOBPKCJRJBKJ-GFCCVEGCSA-N 1 1 196.338 1.563 10 30 ADEEMO C#CC[N@H+](CC)C[C@@H](C[NH3+])CC(C)C 130411384 573535230 /nfs/dbraw/zinc/53/52/30/573535230.db2.gz IPSOBPKCJRJBKJ-GFCCVEGCSA-N 1 1 196.338 1.563 10 30 ADEEMO CC[N@H+]1CCCC[C@H](C#N)C1 211889216 573533083 /nfs/dbraw/zinc/53/30/83/573533083.db2.gz WRZSNRHPOKHYMR-SECBINFHSA-N 1 1 152.241 1.632 10 30 ADEEMO CN[C@]1(C#N)CC[C@@H]([N@@H+](C)C(C)C)C1 86622637 573533266 /nfs/dbraw/zinc/53/32/66/573533266.db2.gz LXLHELGYWKSRMI-GHMZBOCLSA-N 1 1 195.310 1.361 10 30 ADEEMO CN[C@]1(C#N)CC[C@H]([N@@H+](C)C(C)C)C1 86622638 573533742 /nfs/dbraw/zinc/53/37/42/573533742.db2.gz LXLHELGYWKSRMI-WDEREUQCSA-N 1 1 195.310 1.361 10 30 ADEEMO C[N@H+]1CCC[C@H]([C@@H](N)C(C)(C)C#N)C1 259493162 573533815 /nfs/dbraw/zinc/53/38/15/573533815.db2.gz QLCOPACHDANLNH-VHSXEESVSA-N 1 1 195.310 1.205 10 30 ADEEMO C[N@H+]1CC[C@@H](c2c[nH]c(CS)n2)C1 259104180 573533871 /nfs/dbraw/zinc/53/38/71/573533871.db2.gz OKWZVTBFNUXDAP-SSDOTTSWSA-N 1 1 197.307 1.259 10 30 ADEEMO C[N@H+]1CC[C@@H]2C[C@H](C#N)CC[C@H]21 259495380 573534068 /nfs/dbraw/zinc/53/40/68/573534068.db2.gz AAYUKLUTJUQSDK-OPRDCNLKSA-N 1 1 164.252 1.630 10 30 ADEEMO C[N@H+]1CC[C@@H]2C[C@H](C#N)C[C@@H]21 259613765 573535296 /nfs/dbraw/zinc/53/52/96/573535296.db2.gz MZPPESBDAILQKS-YIZRAAEISA-N 1 1 150.225 1.240 10 30 ADEEMO CN[C@@]1(C#N)CC[C@@H]([N@@H+](C)C2CC2)C1 86622760 573534368 /nfs/dbraw/zinc/53/43/68/573534368.db2.gz RGZAYNGRWNIWTM-MNOVXSKESA-N 1 1 193.294 1.115 10 30 ADEEMO C[N@H+]1CC[C@@H]2C[C@@H](C#N)CC[C@@H]21 259495371 573535305 /nfs/dbraw/zinc/53/53/05/573535305.db2.gz AAYUKLUTJUQSDK-AEJSXWLSSA-N 1 1 164.252 1.630 10 30 ADEEMO C[N@H+]1CCC[C@@H]([C@@H](N)C(C)(C)C#N)C1 259493158 573534562 /nfs/dbraw/zinc/53/45/62/573534562.db2.gz QLCOPACHDANLNH-NXEZZACHSA-N 1 1 195.310 1.205 10 30 ADEEMO CN[C@@]1(C#N)CC[C@H]([N@@H+](C)C2CC2)C1 86622755 573535319 /nfs/dbraw/zinc/53/53/19/573535319.db2.gz RGZAYNGRWNIWTM-QWRGUYRKSA-N 1 1 193.294 1.115 10 30 ADEEMO CC(C)CC[N@@H+]1CCC[C@](N)(C#N)C1 259493240 573536055 /nfs/dbraw/zinc/53/60/55/573536055.db2.gz SFFWRZHMWBLGGH-NSHDSACASA-N 1 1 195.310 1.349 10 30 ADEEMO CC(C)CC[N@H+]1CCC[C@](N)(C#N)C1 259493240 573536060 /nfs/dbraw/zinc/53/60/60/573536060.db2.gz SFFWRZHMWBLGGH-NSHDSACASA-N 1 1 195.310 1.349 10 30 ADEEMO Cc1cc([C@H]([NH3+])C=O)ccc1F 259105546 573539968 /nfs/dbraw/zinc/53/99/68/573539968.db2.gz BEAUNFACLSTEAE-SECBINFHSA-N 1 1 167.183 1.333 10 30 ADEEMO C[N@H+]1CCC[C@@H]([C@H](N)C(C)(C)C#N)C1 259493164 573538363 /nfs/dbraw/zinc/53/83/63/573538363.db2.gz QLCOPACHDANLNH-ZJUUUORDSA-N 1 1 195.310 1.205 10 30 ADEEMO C[N@H+]1CCC[C@H]([C@H](N)C(C)(C)C#N)C1 259493161 573538894 /nfs/dbraw/zinc/53/88/94/573538894.db2.gz QLCOPACHDANLNH-UWVGGRQHSA-N 1 1 195.310 1.205 10 30 ADEEMO C[N@H+]1CC[C@@H]2C[C@@H](C#N)C[C@H]21 259613763 573538927 /nfs/dbraw/zinc/53/89/27/573538927.db2.gz MZPPESBDAILQKS-IWSPIJDZSA-N 1 1 150.225 1.240 10 30 ADEEMO C[N@H+]1CC[C@@H]2C[C@H](C#N)C[C@H]21 259613758 573539016 /nfs/dbraw/zinc/53/90/16/573539016.db2.gz MZPPESBDAILQKS-DJLDLDEBSA-N 1 1 150.225 1.240 10 30 ADEEMO C#CC[N@H+](C)CCC[C@H](CC)CC[NH3+] 130328001 573539232 /nfs/dbraw/zinc/53/92/32/573539232.db2.gz BTMSFTKFYMZBNI-LBPRGKRZSA-N 1 1 196.338 1.707 10 30 ADEEMO C[N@H+]1CC[C@@H]2C[C@H](C#N)CC[C@@H]21 259495373 573539247 /nfs/dbraw/zinc/53/92/47/573539247.db2.gz AAYUKLUTJUQSDK-BBBLOLIVSA-N 1 1 164.252 1.630 10 30 ADEEMO N#C[C@@H](C[NH+]1CCC(F)CC1)C1CC1 689907967 573539834 /nfs/dbraw/zinc/53/98/34/573539834.db2.gz HGICYMMRQAXYBW-JTQLQIEISA-N 1 1 196.269 1.970 10 30 ADEEMO Cc1cc([C@@H]([NH3+])C=O)ccc1F 259105550 573540122 /nfs/dbraw/zinc/54/01/22/573540122.db2.gz BEAUNFACLSTEAE-VIFPVBQESA-N 1 1 167.183 1.333 10 30 ADEEMO C#CCN(CCC)CC[C@@H](C)[NH2+]CC 130427127 573540157 /nfs/dbraw/zinc/54/01/57/573540157.db2.gz NJCVFLRGDOCRQT-GFCCVEGCSA-N 1 1 196.338 1.720 10 30 ADEEMO C#CC[NH2+]C(C)(C)CN1CCCC1 308616601 573540845 /nfs/dbraw/zinc/54/08/45/573540845.db2.gz YMQNZOSPFQFEHD-UHFFFAOYSA-N 1 1 180.295 1.084 10 30 ADEEMO C=C[C@H](C)[NH2+][C@H](C)c1cn(CC)nn1 715885401 573541207 /nfs/dbraw/zinc/54/12/07/573541207.db2.gz SCDYALGQMIQOJG-DTWKUNHWSA-N 1 1 194.282 1.523 10 30 ADEEMO C=C[C@H](C)[NH2+][C@@H](C)c1cn(CC)nn1 715885406 573541296 /nfs/dbraw/zinc/54/12/96/573541296.db2.gz SCDYALGQMIQOJG-IUCAKERBSA-N 1 1 194.282 1.523 10 30 ADEEMO C#CCN(CCC)CC[C@@H]1CCC[NH2+]1 130426237 573542965 /nfs/dbraw/zinc/54/29/65/573542965.db2.gz ODDKJXDOMNQMEO-LBPRGKRZSA-N 1 1 194.322 1.474 10 30 ADEEMO C=C[C@@H](C)[NH2+][C@H](C)c1cn(CC)nn1 715885408 573543503 /nfs/dbraw/zinc/54/35/03/573543503.db2.gz SCDYALGQMIQOJG-RKDXNWHRSA-N 1 1 194.282 1.523 10 30 ADEEMO [NH3+][C@H](S)c1ccc2[nH]cnc2c1 259119500 573547294 /nfs/dbraw/zinc/54/72/94/573547294.db2.gz AJUZJRFUHRRUFL-MRVPVSSYSA-N 1 1 179.248 1.450 10 30 ADEEMO C#CC[NH2+]C(C)(C)CN1CCCCC1 308627044 573547923 /nfs/dbraw/zinc/54/79/23/573547923.db2.gz BSEBCTUHMMPGKM-UHFFFAOYSA-N 1 1 194.322 1.474 10 30 ADEEMO C#CCN(C)CC1(C[NH3+])CCCC1 130330080 573548147 /nfs/dbraw/zinc/54/81/47/573548147.db2.gz ZOCLHVXVEWVVJO-UHFFFAOYSA-N 1 1 180.295 1.071 10 30 ADEEMO C=CCNC(C)(C)C[NH+](CC)CC 308629430 573550456 /nfs/dbraw/zinc/55/04/56/573550456.db2.gz BHNVMZUPIUCERG-UHFFFAOYSA-N 1 1 184.327 1.882 10 30 ADEEMO C#CCNCC[N@H+]1CC[C@@H]2CCC[C@H]21 393535489 573551410 /nfs/dbraw/zinc/55/14/10/573551410.db2.gz ZABAEAUTLRWUDB-NWDGAFQWSA-N 1 1 192.306 1.084 10 30 ADEEMO C#CC[NH2+]CCN1CC[C@@H]2CCC[C@H]21 393535489 573551417 /nfs/dbraw/zinc/55/14/17/573551417.db2.gz ZABAEAUTLRWUDB-NWDGAFQWSA-N 1 1 192.306 1.084 10 30 ADEEMO [NH3+][C@@H](C=O)c1ccc(F)c(Cl)c1 259120268 573551694 /nfs/dbraw/zinc/55/16/94/573551694.db2.gz BXVYXNHPTOWHLW-QMMMGPOBSA-N 1 1 187.601 1.678 10 30 ADEEMO C#C[C@@H](C)[NH2+]C(C)(C)CN(CC)CC 308630065 573552109 /nfs/dbraw/zinc/55/21/09/573552109.db2.gz DTFFBLJBJKZGSY-LLVKDONJSA-N 1 1 196.338 1.718 10 30 ADEEMO C[N@H+]1CC[C@@H](C(C)(C)C#N)C1 259122896 573552189 /nfs/dbraw/zinc/55/21/89/573552189.db2.gz LGEKHHJEGFIQOY-MRVPVSSYSA-N 1 1 152.241 1.488 10 30 ADEEMO CCC(C)(C)[NH2+][C@@H](C)C(=O)OCC#N 308627936 573552405 /nfs/dbraw/zinc/55/24/05/573552405.db2.gz XNQSYQOUDAIPBB-QMMMGPOBSA-N 1 1 198.266 1.220 10 30 ADEEMO [NH3+][C@H](C=O)c1ccc(F)c(Cl)c1 259120266 573552418 /nfs/dbraw/zinc/55/24/18/573552418.db2.gz BXVYXNHPTOWHLW-MRVPVSSYSA-N 1 1 187.601 1.678 10 30 ADEEMO C#CCNCC[N@H+]1CC[C@@H]2CCC[C@@H]21 393535492 573552512 /nfs/dbraw/zinc/55/25/12/573552512.db2.gz ZABAEAUTLRWUDB-RYUDHWBXSA-N 1 1 192.306 1.084 10 30 ADEEMO C#CC[NH2+]CCN1CC[C@@H]2CCC[C@@H]21 393535492 573552519 /nfs/dbraw/zinc/55/25/19/573552519.db2.gz ZABAEAUTLRWUDB-RYUDHWBXSA-N 1 1 192.306 1.084 10 30 ADEEMO C#CCNCC[N@H+]1CC[C@H]2CCC[C@@H]21 393535488 573553237 /nfs/dbraw/zinc/55/32/37/573553237.db2.gz ZABAEAUTLRWUDB-NEPJUHHUSA-N 1 1 192.306 1.084 10 30 ADEEMO C#CC[NH2+]CCN1CC[C@H]2CCC[C@@H]21 393535488 573553240 /nfs/dbraw/zinc/55/32/40/573553240.db2.gz ZABAEAUTLRWUDB-NEPJUHHUSA-N 1 1 192.306 1.084 10 30 ADEEMO CO[C@]1(CC=O)CCC[N@H+](C2CC2)C1 257830125 573553353 /nfs/dbraw/zinc/55/33/53/573553353.db2.gz IWTQYJIWDWPEIH-NSHDSACASA-N 1 1 197.278 1.219 10 30 ADEEMO CC[N@@H+](C)Cc1cc(C)c(C#N)[nH]1 259506922 573553380 /nfs/dbraw/zinc/55/33/80/573553380.db2.gz VOHAMPRROLXXEM-UHFFFAOYSA-N 1 1 177.251 1.647 10 30 ADEEMO CCC(C)(C)[NH2+][C@H](C)C(=O)OCC#N 308627935 573553605 /nfs/dbraw/zinc/55/36/05/573553605.db2.gz XNQSYQOUDAIPBB-MRVPVSSYSA-N 1 1 198.266 1.220 10 30 ADEEMO [NH3+][C@@H](S)c1ccc(F)cc1F 259508308 573553607 /nfs/dbraw/zinc/55/36/07/573553607.db2.gz RJPCBGRSAZBQQP-ZETCQYMHSA-N 1 1 175.203 1.852 10 30 ADEEMO C#C[C@H](C)[NH2+]C(C)(C)CN(CC)CC 308630066 573553777 /nfs/dbraw/zinc/55/37/77/573553777.db2.gz DTFFBLJBJKZGSY-NSHDSACASA-N 1 1 196.338 1.718 10 30 ADEEMO C#CC[N@H+](CC)Cc1ccccc1N 130356838 573554342 /nfs/dbraw/zinc/55/43/42/573554342.db2.gz DDFXLQGHOBYSEZ-UHFFFAOYSA-N 1 1 188.274 1.724 10 30 ADEEMO C[N@H+]1CCC[C@@H](CCC#N)C1 107398306 573563053 /nfs/dbraw/zinc/56/30/53/573563053.db2.gz JKHBHKHKAUGTRT-SECBINFHSA-N 1 1 152.241 1.632 10 30 ADEEMO C[NH2+][C@@H](S)c1ccc(OC)cc1 259507777 573559149 /nfs/dbraw/zinc/55/91/49/573559149.db2.gz SLGWTHMHELLWFR-VIFPVBQESA-N 1 1 183.276 1.843 10 30 ADEEMO C#CCNCC[N@H+]1CC[C@H]2CCC[C@H]21 393535494 573557320 /nfs/dbraw/zinc/55/73/20/573557320.db2.gz ZABAEAUTLRWUDB-VXGBXAGGSA-N 1 1 192.306 1.084 10 30 ADEEMO C#CC[NH2+]CCN1CC[C@H]2CCC[C@H]21 393535494 573557325 /nfs/dbraw/zinc/55/73/25/573557325.db2.gz ZABAEAUTLRWUDB-VXGBXAGGSA-N 1 1 192.306 1.084 10 30 ADEEMO C#CCN(CC)C[C@@H](C[NH3+])C(C)C 130369873 573557862 /nfs/dbraw/zinc/55/78/62/573557862.db2.gz YVUZMOCFIWUSNY-LLVKDONJSA-N 1 1 182.311 1.172 10 30 ADEEMO C[NH2+][C@H](S)c1ccc(OC)cc1 259507775 573557867 /nfs/dbraw/zinc/55/78/67/573557867.db2.gz SLGWTHMHELLWFR-SECBINFHSA-N 1 1 183.276 1.843 10 30 ADEEMO C#CCN(CC)CC1(C[NH3+])CCC1 130376249 573558169 /nfs/dbraw/zinc/55/81/69/573558169.db2.gz ODPISGAVKHWRKI-UHFFFAOYSA-N 1 1 180.295 1.071 10 30 ADEEMO C#C[C@@H](COC)[NH2+]Cc1ccc(C)o1 308620659 573558465 /nfs/dbraw/zinc/55/84/65/573558465.db2.gz SXDUUBNMPMODHU-JTQLQIEISA-N 1 1 193.246 1.326 10 30 ADEEMO C#CCN(CC)C[C@H]1CCC[C@@H]1[NH3+] 130367072 573558483 /nfs/dbraw/zinc/55/84/83/573558483.db2.gz MQRQWXRQEUORSI-MNOVXSKESA-N 1 1 180.295 1.069 10 30 ADEEMO C[N@H+]1CC[C@@H](CCC#N)C1 107396272 573558972 /nfs/dbraw/zinc/55/89/72/573558972.db2.gz MUYIURYMTDCOIC-MRVPVSSYSA-N 1 1 138.214 1.242 10 30 ADEEMO C[C@H]1C[N@@H+](C)CCCN1CCCC#N 235617969 573559282 /nfs/dbraw/zinc/55/92/82/573559282.db2.gz SKHVUXFICOYXHZ-NSHDSACASA-N 1 1 195.310 1.316 10 30 ADEEMO C[C@H]1CN(C)CCC[N@@H+]1CCCC#N 235617969 573559285 /nfs/dbraw/zinc/55/92/85/573559285.db2.gz SKHVUXFICOYXHZ-NSHDSACASA-N 1 1 195.310 1.316 10 30 ADEEMO C[C@H]1CN(C)CCC[N@H+]1CCCC#N 235617969 573559288 /nfs/dbraw/zinc/55/92/88/573559288.db2.gz SKHVUXFICOYXHZ-NSHDSACASA-N 1 1 195.310 1.316 10 30 ADEEMO C[N@H+]1C[C@@H]2CC[C@H](C#N)C[C@H]2C1 259509578 573560775 /nfs/dbraw/zinc/56/07/75/573560775.db2.gz BUANSMPBSWWUSV-GUBZILKMSA-N 1 1 164.252 1.488 10 30 ADEEMO C[N@H+]1CC[C@H](CCNC(C)(C)C#N)C1 258777380 573560815 /nfs/dbraw/zinc/56/08/15/573560815.db2.gz LDGZMCNUZLKZQK-JTQLQIEISA-N 1 1 195.310 1.220 10 30 ADEEMO C[C@@H]1C[C@H](CC=O)CC[N@H+]1C 107399090 573561458 /nfs/dbraw/zinc/56/14/58/573561458.db2.gz WSZHTQAPROWQLL-BDAKNGLRSA-N 1 1 155.241 1.306 10 30 ADEEMO C[N@H+]1C[C@@H]2CC[C@@H](C#N)C[C@H]2C1 259509584 573561917 /nfs/dbraw/zinc/56/19/17/573561917.db2.gz BUANSMPBSWWUSV-UTLUCORTSA-N 1 1 164.252 1.488 10 30 ADEEMO N#CC1([C@H]([NH3+])c2cccnc2)CC1 259509829 573561957 /nfs/dbraw/zinc/56/19/57/573561957.db2.gz RMXOAKLGAKUEAO-SECBINFHSA-N 1 1 173.219 1.385 10 30 ADEEMO C[N@H+]1CCCC[C@@H](CC#N)C1 107398301 573562031 /nfs/dbraw/zinc/56/20/31/573562031.db2.gz RZIUXVRKQOCJQI-VIFPVBQESA-N 1 1 152.241 1.632 10 30 ADEEMO C[N@@H+]1C[C@H]2C[C@H](C#N)CC[C@H]2C1 259509580 573562143 /nfs/dbraw/zinc/56/21/43/573562143.db2.gz BUANSMPBSWWUSV-KXUCPTDWSA-N 1 1 164.252 1.488 10 30 ADEEMO C[C@H]1C[C@@H](CC=O)CC[N@H+]1C 107399103 573562169 /nfs/dbraw/zinc/56/21/69/573562169.db2.gz WSZHTQAPROWQLL-DTWKUNHWSA-N 1 1 155.241 1.306 10 30 ADEEMO C#CCCC[NH2+][C@@H]1CCN(C)C[C@@H]1C 224306308 573562521 /nfs/dbraw/zinc/56/25/21/573562521.db2.gz VSKNJCPSBNJPLL-NWDGAFQWSA-N 1 1 194.322 1.330 10 30 ADEEMO C[N@H+]1CCCC[C@@H](CC=O)C1 107399084 573562728 /nfs/dbraw/zinc/56/27/28/573562728.db2.gz CUQPXKVPJWWAJC-VIFPVBQESA-N 1 1 155.241 1.307 10 30 ADEEMO C#CCN(CC)C[C@@H]1CCC[C@@H]1[NH3+] 130366851 573563225 /nfs/dbraw/zinc/56/32/25/573563225.db2.gz MQRQWXRQEUORSI-QWRGUYRKSA-N 1 1 180.295 1.069 10 30 ADEEMO C[N@H+]1CCC[C@@H](CCC=O)C1 107399069 573563294 /nfs/dbraw/zinc/56/32/94/573563294.db2.gz FMKLCTUJKIGDBJ-VIFPVBQESA-N 1 1 155.241 1.307 10 30 ADEEMO C[N@H+]1CC[C@@H](CCNC(C)(C)C#N)C1 258777383 573563432 /nfs/dbraw/zinc/56/34/32/573563432.db2.gz LDGZMCNUZLKZQK-SNVBAGLBSA-N 1 1 195.310 1.220 10 30 ADEEMO CC[N@H+]1CC[C@H](NCCC#N)[C@H](C)C1 308622957 573564107 /nfs/dbraw/zinc/56/41/07/573564107.db2.gz UUUKWNGSJKVFKH-MNOVXSKESA-N 1 1 195.310 1.220 10 30 ADEEMO CC[N@H+]1CC[C@@H](NCCC#N)[C@H](C)C1 308622956 573564131 /nfs/dbraw/zinc/56/41/31/573564131.db2.gz UUUKWNGSJKVFKH-GHMZBOCLSA-N 1 1 195.310 1.220 10 30 ADEEMO CC[N@H+]1CC[C@H](NCCC#N)[C@@H](C)C1 308622958 573564667 /nfs/dbraw/zinc/56/46/67/573564667.db2.gz UUUKWNGSJKVFKH-QWRGUYRKSA-N 1 1 195.310 1.220 10 30 ADEEMO C=CCN[C@H]1C[N@H+](C(C)C)C[C@@H]1CC 308621988 573564820 /nfs/dbraw/zinc/56/48/20/573564820.db2.gz UIUUFNOTNLPCSL-RYUDHWBXSA-N 1 1 196.338 1.881 10 30 ADEEMO C=CCN[C@H]1C[N@@H+](C(C)C)C[C@@H]1CC 308621988 573564827 /nfs/dbraw/zinc/56/48/27/573564827.db2.gz UIUUFNOTNLPCSL-RYUDHWBXSA-N 1 1 196.338 1.881 10 30 ADEEMO C[C@@H](C=O)[C@@H]1CCC[N@@H+](C)C1 107399107 573564835 /nfs/dbraw/zinc/56/48/35/573564835.db2.gz FZAHIIFQXOBTHH-DTWKUNHWSA-N 1 1 155.241 1.163 10 30 ADEEMO CC[C@@H](CC#N)[N@H+]1CC[C@@H]1C 86681460 573564979 /nfs/dbraw/zinc/56/49/79/573564979.db2.gz YTEJKASQUTZJKJ-IUCAKERBSA-N 1 1 152.241 1.773 10 30 ADEEMO C[C@@H]1CC[N@H+]1[C@@H]1CCC[C@@H]1C#N 86681536 573565006 /nfs/dbraw/zinc/56/50/06/573565006.db2.gz PPSBLHSVNAHTOT-OPRDCNLKSA-N 1 1 164.252 1.773 10 30 ADEEMO CC(C)C1C[NH+](C[C@@H](C)C#N)C1 86681422 573565037 /nfs/dbraw/zinc/56/50/37/573565037.db2.gz NQQNSZQLMOSNBW-VIFPVBQESA-N 1 1 166.268 1.734 10 30 ADEEMO C[C@H](C=O)[C@@H]1CCC[N@@H+](C)C1 107399110 573565057 /nfs/dbraw/zinc/56/50/57/573565057.db2.gz FZAHIIFQXOBTHH-RKDXNWHRSA-N 1 1 155.241 1.163 10 30 ADEEMO CC[N@H+]1CC[C@@H](NCCC#N)[C@@H](C)C1 308622959 573565099 /nfs/dbraw/zinc/56/50/99/573565099.db2.gz UUUKWNGSJKVFKH-WDEREUQCSA-N 1 1 195.310 1.220 10 30 ADEEMO C[N@H+]1CCC[C@H](CCC#N)C1 107398304 573565180 /nfs/dbraw/zinc/56/51/80/573565180.db2.gz JKHBHKHKAUGTRT-VIFPVBQESA-N 1 1 152.241 1.632 10 30 ADEEMO CC#CC[NH2+]C(C)(C)CN(CC)CC 308633218 573566522 /nfs/dbraw/zinc/56/65/22/573566522.db2.gz VOWNGGLAJSZELJ-UHFFFAOYSA-N 1 1 196.338 1.720 10 30 ADEEMO C[C@@H](CC#N)[N@@H+]1CC[C@H]1C 86681177 573566096 /nfs/dbraw/zinc/56/60/96/573566096.db2.gz BHBRORSIYWFAGB-JGVFFNPUSA-N 1 1 138.214 1.383 10 30 ADEEMO C[C@@H](CC#N)[N@H+]1CC[C@H]1C 86681177 573566100 /nfs/dbraw/zinc/56/61/00/573566100.db2.gz BHBRORSIYWFAGB-JGVFFNPUSA-N 1 1 138.214 1.383 10 30 ADEEMO C=CCCC[C@H](C)[NH2+][C@@H](C)C(=O)OC 308624080 573566108 /nfs/dbraw/zinc/56/61/08/573566108.db2.gz VGGISTRLJQPDPY-UWVGGRQHSA-N 1 1 199.294 1.882 10 30 ADEEMO C[C@@H](C#N)C[N@@H+]1CC[C@H]1C 86681383 573566122 /nfs/dbraw/zinc/56/61/22/573566122.db2.gz QYLINWKBTJGQBX-JGVFFNPUSA-N 1 1 138.214 1.240 10 30 ADEEMO C[C@@H](C#N)C[N@H+]1CC[C@H]1C 86681383 573566129 /nfs/dbraw/zinc/56/61/29/573566129.db2.gz QYLINWKBTJGQBX-JGVFFNPUSA-N 1 1 138.214 1.240 10 30 ADEEMO CC1C[NH+]([C@H](C)CC#N)C1 86681191 573566226 /nfs/dbraw/zinc/56/62/26/573566226.db2.gz VFYZEXVOHOBBCM-MRVPVSSYSA-N 1 1 138.214 1.240 10 30 ADEEMO C[C@@H]1CC[N@H+]1CCCCC#N 86681661 573566239 /nfs/dbraw/zinc/56/62/39/573566239.db2.gz KAFGWCHPFXWWLG-SECBINFHSA-N 1 1 152.241 1.774 10 30 ADEEMO CC[N@H+]1CC[C@H](n2nccc2C#N)C1 257831196 573566270 /nfs/dbraw/zinc/56/62/70/573566270.db2.gz JGUQJDREUKUHCN-JTQLQIEISA-N 1 1 190.250 1.021 10 30 ADEEMO CCC1C[NH+]([C@H](C)CC#N)C1 86681231 573566314 /nfs/dbraw/zinc/56/63/14/573566314.db2.gz NMJLJNRORYUNAI-MRVPVSSYSA-N 1 1 152.241 1.630 10 30 ADEEMO CC1C[NH+](C[C@H](C)C#N)C1 86681396 573566400 /nfs/dbraw/zinc/56/64/00/573566400.db2.gz GEEGLBVAWXWBCO-SSDOTTSWSA-N 1 1 138.214 1.098 10 30 ADEEMO C[C@@H]1CC[N@H+]1CCCC#N 86681298 573566497 /nfs/dbraw/zinc/56/64/97/573566497.db2.gz CMIVSUNROSXGAE-MRVPVSSYSA-N 1 1 138.214 1.384 10 30 ADEEMO N#C[C@@H]1CCC[C@@H]1[NH+]1CC2(CC2)C1 86681546 573566554 /nfs/dbraw/zinc/56/65/54/573566554.db2.gz ZHQONLGCZLRWMF-UWVGGRQHSA-N 1 1 176.263 1.774 10 30 ADEEMO COc1ccc([C@@H]([NH3+])C=O)c(Cl)c1 259112696 573566622 /nfs/dbraw/zinc/56/66/22/573566622.db2.gz BMXISISICCEOGJ-VIFPVBQESA-N 1 1 199.637 1.547 10 30 ADEEMO C[C@@H](CC#N)[N@@H+]1CC[C@@H]1C 86681179 573566705 /nfs/dbraw/zinc/56/67/05/573566705.db2.gz BHBRORSIYWFAGB-YUMQZZPRSA-N 1 1 138.214 1.383 10 30 ADEEMO C[C@@H](CC#N)[N@H+]1CC[C@@H]1C 86681179 573566709 /nfs/dbraw/zinc/56/67/09/573566709.db2.gz BHBRORSIYWFAGB-YUMQZZPRSA-N 1 1 138.214 1.383 10 30 ADEEMO N#C[C@H]1CCC[C@H]1[NH+]1CC2(CC2)C1 86681540 573566843 /nfs/dbraw/zinc/56/68/43/573566843.db2.gz ZHQONLGCZLRWMF-NXEZZACHSA-N 1 1 176.263 1.774 10 30 ADEEMO CCC1C[NH+](C[C@H](C)C#N)C1 86681435 573566962 /nfs/dbraw/zinc/56/69/62/573566962.db2.gz LQIPUIYUGCPJQN-MRVPVSSYSA-N 1 1 152.241 1.488 10 30 ADEEMO N#C[C@@H]1CCC[C@H]1[NH+]1CC2(CC2)C1 86681542 573567032 /nfs/dbraw/zinc/56/70/32/573567032.db2.gz ZHQONLGCZLRWMF-VHSXEESVSA-N 1 1 176.263 1.774 10 30 ADEEMO CC(C)C1C[NH+](C[C@H](C)C#N)C1 86681425 573569521 /nfs/dbraw/zinc/56/95/21/573569521.db2.gz NQQNSZQLMOSNBW-SECBINFHSA-N 1 1 166.268 1.734 10 30 ADEEMO C#CCN(CC)C[C@H](C[NH3+])CCC 130383690 573569048 /nfs/dbraw/zinc/56/90/48/573569048.db2.gz YCHBHWMUOBCFAY-NSHDSACASA-N 1 1 182.311 1.317 10 30 ADEEMO CC[C@@H](CC#N)[NH+]1CC(C)C1 86681473 573569414 /nfs/dbraw/zinc/56/94/14/573569414.db2.gz JBKUIUZRHQRIAK-VIFPVBQESA-N 1 1 152.241 1.630 10 30 ADEEMO CCC1C[NH+](CCC#N)C1 86681371 573569442 /nfs/dbraw/zinc/56/94/42/573569442.db2.gz CBROWSSWBVGLAO-UHFFFAOYSA-N 1 1 138.214 1.242 10 30 ADEEMO C#C[C@H](C)[NH2+]Cc1ccn(C(F)F)n1 308625484 573570609 /nfs/dbraw/zinc/57/06/09/573570609.db2.gz VUAZYIYNRKVTOT-ZETCQYMHSA-N 1 1 199.204 1.390 10 30 ADEEMO C=CCCC[C@@H](C)[NH2+][C@@H](C)C(=O)OC 308624082 573570750 /nfs/dbraw/zinc/57/07/50/573570750.db2.gz VGGISTRLJQPDPY-ZJUUUORDSA-N 1 1 199.294 1.882 10 30 ADEEMO Cc1c[nH]cc1[C@@H]([NH3+])CC#N 238444421 573570880 /nfs/dbraw/zinc/57/08/80/573570880.db2.gz GCMMTJWSGWRUHL-QMMMGPOBSA-N 1 1 149.197 1.237 10 30 ADEEMO C[N@H+]1CCC[C@H](SCC#N)C1 259113504 573570917 /nfs/dbraw/zinc/57/09/17/573570917.db2.gz REJZXHRMBONRGM-QMMMGPOBSA-N 1 1 170.281 1.337 10 30 ADEEMO CC1=CC[N@H+](C[C@H](C)C#N)CC1 75423252 573571259 /nfs/dbraw/zinc/57/12/59/573571259.db2.gz GDGVNWLRJWEBSL-SNVBAGLBSA-N 1 1 164.252 1.798 10 30 ADEEMO CC1=CC[N@@H+](C[C@H](C)C#N)CC1 75423252 573571264 /nfs/dbraw/zinc/57/12/64/573571264.db2.gz GDGVNWLRJWEBSL-SNVBAGLBSA-N 1 1 164.252 1.798 10 30 ADEEMO C#C[C@@H](CC)NC(C)(C)C[NH+](C)C 308634394 573571553 /nfs/dbraw/zinc/57/15/53/573571553.db2.gz YFBBOWXGWWUHOW-JTQLQIEISA-N 1 1 182.311 1.328 10 30 ADEEMO C[N@H+]1CCC[C@@H](SCC#N)C1 259113502 573571590 /nfs/dbraw/zinc/57/15/90/573571590.db2.gz REJZXHRMBONRGM-MRVPVSSYSA-N 1 1 170.281 1.337 10 30 ADEEMO C[N@H+]1CCC[C@@H](n2cc(C#N)cn2)C1 257831851 573571878 /nfs/dbraw/zinc/57/18/78/573571878.db2.gz JNTSWXIUJRLQOB-SNVBAGLBSA-N 1 1 190.250 1.021 10 30 ADEEMO CC[C@H](C#N)[C@@H]([NH2+]C)c1ccc[nH]1 259113271 573572013 /nfs/dbraw/zinc/57/20/13/573572013.db2.gz FXMYMLDUOPWUAM-PSASIEDQSA-N 1 1 177.251 1.825 10 30 ADEEMO COCC[N@H+]1CC[C@H](CC#N)C1(C)C 259513711 573572081 /nfs/dbraw/zinc/57/20/81/573572081.db2.gz USDPFEVUBIAKHK-JTQLQIEISA-N 1 1 196.294 1.647 10 30 ADEEMO CC[C@@H](C#N)[C@@H]([NH2+]C)c1ccc[nH]1 259113274 573572086 /nfs/dbraw/zinc/57/20/86/573572086.db2.gz FXMYMLDUOPWUAM-WCBMZHEXSA-N 1 1 177.251 1.825 10 30 ADEEMO C[N@@H+](CC[C@H]1CO1)Cc1ccncc1 308633762 573572457 /nfs/dbraw/zinc/57/24/57/573572457.db2.gz AHJAKXOKYDGALI-NSHDSACASA-N 1 1 192.262 1.302 10 30 ADEEMO CC[C@@H](C#N)[C@H]([NH2+]C)c1ccc[nH]1 259113275 573572618 /nfs/dbraw/zinc/57/26/18/573572618.db2.gz FXMYMLDUOPWUAM-WPRPVWTQSA-N 1 1 177.251 1.825 10 30 ADEEMO CCNC(=[NH+]N)c1cc(C)c(C)s1 83631952 573574252 /nfs/dbraw/zinc/57/42/52/573574252.db2.gz ILLSETNXWVAXAD-UHFFFAOYSA-N 1 1 197.307 1.595 10 30 ADEEMO C[N@@H+](CCCS)Cc1cc[nH]c1 258793281 573574623 /nfs/dbraw/zinc/57/46/23/573574623.db2.gz CSPQQXBUNLPSAC-UHFFFAOYSA-N 1 1 184.308 1.766 10 30 ADEEMO CC[C@H](C#N)[C@H]([NH2+]C)c1ccc[nH]1 259113272 573574693 /nfs/dbraw/zinc/57/46/93/573574693.db2.gz FXMYMLDUOPWUAM-SCZZXKLOSA-N 1 1 177.251 1.825 10 30 ADEEMO C=CCOC(=O)C[N@@H+](CC)C1CC1 308401249 573575691 /nfs/dbraw/zinc/57/56/91/573575691.db2.gz HDZKBDAAOHPVDQ-UHFFFAOYSA-N 1 1 183.251 1.200 10 30 ADEEMO C=CCOC(=O)C[N@H+](CC)C1CC1 308401249 573575699 /nfs/dbraw/zinc/57/56/99/573575699.db2.gz HDZKBDAAOHPVDQ-UHFFFAOYSA-N 1 1 183.251 1.200 10 30 ADEEMO C[C@H](C=O)[C@H]1CCC[N@@H+](C)CC1 107405069 573575771 /nfs/dbraw/zinc/57/57/71/573575771.db2.gz MAOCDCSPPCNVNR-ZJUUUORDSA-N 1 1 169.268 1.553 10 30 ADEEMO C[N@H+]1CCC[C@H](CCC=O)CC1 107405022 573575868 /nfs/dbraw/zinc/57/58/68/573575868.db2.gz SGTQRZYYPOUOLC-SNVBAGLBSA-N 1 1 169.268 1.697 10 30 ADEEMO C=CC[N@@H+]1CC[C@@H](O)CC1(C)C 259517439 573576135 /nfs/dbraw/zinc/57/61/35/573576135.db2.gz UZPCKMSJIUGJEV-SECBINFHSA-N 1 1 169.268 1.408 10 30 ADEEMO C[C@H]1C[C@@H](CCC=O)CC[N@H+]1C 107405039 573576361 /nfs/dbraw/zinc/57/63/61/573576361.db2.gz IXXFFPSGQLWPNS-UWVGGRQHSA-N 1 1 169.268 1.696 10 30 ADEEMO CC(C)(C#N)CCN1CCC([NH3+])CC1 83639271 573579665 /nfs/dbraw/zinc/57/96/65/573579665.db2.gz RRGIJEJRJSRCCZ-UHFFFAOYSA-N 1 1 195.310 1.349 10 30 ADEEMO C=CCO[C@H](C)C[NH2+]Cc1cocn1 308636603 573577929 /nfs/dbraw/zinc/57/79/29/573577929.db2.gz COJYJCODTGCJIH-SECBINFHSA-N 1 1 196.250 1.355 10 30 ADEEMO C=CCO[C@@H](C)C[NH2+]Cc1cocn1 308636604 573577959 /nfs/dbraw/zinc/57/79/59/573577959.db2.gz COJYJCODTGCJIH-VIFPVBQESA-N 1 1 196.250 1.355 10 30 ADEEMO C[C@H](C=O)[C@@H]1CCC[N@@H+](C)CC1 107405063 573578136 /nfs/dbraw/zinc/57/81/36/573578136.db2.gz MAOCDCSPPCNVNR-NXEZZACHSA-N 1 1 169.268 1.553 10 30 ADEEMO C[C@@H](C=O)[C@@H]1CCCC[N@@H+](C)C1 107405071 573578221 /nfs/dbraw/zinc/57/82/21/573578221.db2.gz CFXKGJYACAKPRN-VHSXEESVSA-N 1 1 169.268 1.553 10 30 ADEEMO C[N@H+]1CCC(C)(C)C[C@@](N)(CC#N)C1 259517093 573578295 /nfs/dbraw/zinc/57/82/95/573578295.db2.gz CQZMYRFYPZRKMD-NSHDSACASA-N 1 1 195.310 1.349 10 30 ADEEMO C[N@H+]1CCS[C@@H]2CC[C@H](C#N)C[C@H]21 259517408 573578413 /nfs/dbraw/zinc/57/84/13/573578413.db2.gz AOBHTTAHGKOCJN-IVZWLZJFSA-N 1 1 196.319 1.726 10 30 ADEEMO Cc1ccsc1CC[N@@H+](C)CC=O 258787103 573578433 /nfs/dbraw/zinc/57/84/33/573578433.db2.gz CAIFZIBZAIBBCK-UHFFFAOYSA-N 1 1 197.303 1.730 10 30 ADEEMO Cc1ccsc1CC[N@H+](C)CC=O 258787103 573578438 /nfs/dbraw/zinc/57/84/38/573578438.db2.gz CAIFZIBZAIBBCK-UHFFFAOYSA-N 1 1 197.303 1.730 10 30 ADEEMO C[C@@H](C=O)[C@H]1CCCC[N@@H+](C)C1 107405079 573578514 /nfs/dbraw/zinc/57/85/14/573578514.db2.gz CFXKGJYACAKPRN-UWVGGRQHSA-N 1 1 169.268 1.553 10 30 ADEEMO CCc1[nH]c(CCS)[nH+]c1C 258791879 573578517 /nfs/dbraw/zinc/57/85/17/573578517.db2.gz VSSWWHFEHWUUAV-UHFFFAOYSA-N 1 1 170.281 1.753 10 30 ADEEMO C[C@@H](C=O)[C@@H]1CCC[N@@H+](C)CC1 107405060 573578622 /nfs/dbraw/zinc/57/86/22/573578622.db2.gz MAOCDCSPPCNVNR-VHSXEESVSA-N 1 1 169.268 1.553 10 30 ADEEMO Cc1[nH]c(C)c(-c2ccncc2C#N)[nH+]1 259517406 573578948 /nfs/dbraw/zinc/57/89/48/573578948.db2.gz ANXIVGFVBUSQLH-UHFFFAOYSA-N 1 1 198.229 1.960 10 30 ADEEMO N#C[C@@H]1CC[NH2+][C@@H]1c1ccccc1F 259516054 573579071 /nfs/dbraw/zinc/57/90/71/573579071.db2.gz ALXKULFCMJIYDM-KWQFWETISA-N 1 1 190.221 2.000 10 30 ADEEMO C[N@H+]1CCS[C@@H]2CC[C@@H](C#N)C[C@H]21 259517413 573579259 /nfs/dbraw/zinc/57/92/59/573579259.db2.gz AOBHTTAHGKOCJN-OPRDCNLKSA-N 1 1 196.319 1.726 10 30 ADEEMO C[C@H](C=O)[C@H]1CCCC[N@@H+](C)C1 107405083 573579271 /nfs/dbraw/zinc/57/92/71/573579271.db2.gz CFXKGJYACAKPRN-ZJUUUORDSA-N 1 1 169.268 1.553 10 30 ADEEMO C[C@H](C=O)[C@@H]1CCCC[N@@H+](C)C1 107405074 573579298 /nfs/dbraw/zinc/57/92/98/573579298.db2.gz CFXKGJYACAKPRN-NXEZZACHSA-N 1 1 169.268 1.553 10 30 ADEEMO C#CC[N@H+](CCC)CC1(C[NH3+])CC1 130437845 573579395 /nfs/dbraw/zinc/57/93/95/573579395.db2.gz LDOYVYFCWPRFDB-UHFFFAOYSA-N 1 1 180.295 1.071 10 30 ADEEMO C#CCN(CCC)CC1(C[NH3+])CC1 130437845 573579401 /nfs/dbraw/zinc/57/94/01/573579401.db2.gz LDOYVYFCWPRFDB-UHFFFAOYSA-N 1 1 180.295 1.071 10 30 ADEEMO C[N@H+]1CCCC[C@H](CCC=O)C1 107405027 573580015 /nfs/dbraw/zinc/58/00/15/573580015.db2.gz WRFONSMQUJXQOQ-SNVBAGLBSA-N 1 1 169.268 1.697 10 30 ADEEMO C#CC[N@H+](CCC)C[C@@H]1C[NH2+]C[C@@H]1C 130434429 573580375 /nfs/dbraw/zinc/58/03/75/573580375.db2.gz FRXCOIQRUJYPBN-RYUDHWBXSA-N 1 1 194.322 1.187 10 30 ADEEMO C#CCN(CCC)C[C@@H]1C[NH2+]C[C@@H]1C 130434429 573580379 /nfs/dbraw/zinc/58/03/79/573580379.db2.gz FRXCOIQRUJYPBN-RYUDHWBXSA-N 1 1 194.322 1.187 10 30 ADEEMO N#C[C@H]1CC[NH2+][C@@H]1c1ccccc1F 259516051 573580607 /nfs/dbraw/zinc/58/06/07/573580607.db2.gz ALXKULFCMJIYDM-KCJUWKMLSA-N 1 1 190.221 2.000 10 30 ADEEMO C[C@@H]1CC[C@@H](C=O)[N@H+]2CCC[C@@H]12 238441303 573580676 /nfs/dbraw/zinc/58/06/76/573580676.db2.gz QWDQBUCDOQXTPT-UTLUCORTSA-N 1 1 167.252 1.448 10 30 ADEEMO CC(C)CC[N@@H+](C)CC1(C#N)COC1 259116777 573582900 /nfs/dbraw/zinc/58/29/00/573582900.db2.gz XZBJVVGHXDPFLM-UHFFFAOYSA-N 1 1 196.294 1.504 10 30 ADEEMO C#CC[N@H+](CCC)C[C@]1(C)CC[NH2+]C1 130433967 573580830 /nfs/dbraw/zinc/58/08/30/573580830.db2.gz RGUIKJJEUVCEKD-GFCCVEGCSA-N 1 1 194.322 1.331 10 30 ADEEMO C#CCN(CCC)C[C@]1(C)CC[NH2+]C1 130433967 573580835 /nfs/dbraw/zinc/58/08/35/573580835.db2.gz RGUIKJJEUVCEKD-GFCCVEGCSA-N 1 1 194.322 1.331 10 30 ADEEMO C[N@H+]1CCS[C@@H]2CC[C@H](C#N)C[C@@H]21 259517412 573580851 /nfs/dbraw/zinc/58/08/51/573580851.db2.gz AOBHTTAHGKOCJN-LPEHRKFASA-N 1 1 196.319 1.726 10 30 ADEEMO C[N@H+]1CCS[C@@H]2CC[C@@H](C#N)C[C@@H]21 259517410 573580926 /nfs/dbraw/zinc/58/09/26/573580926.db2.gz AOBHTTAHGKOCJN-KXUCPTDWSA-N 1 1 196.319 1.726 10 30 ADEEMO C#CC[N@@H+](CCC)CCC[NH2+]C1CC1 130433509 573581027 /nfs/dbraw/zinc/58/10/27/573581027.db2.gz UZZOOQWHJVDVKP-UHFFFAOYSA-N 1 1 194.322 1.474 10 30 ADEEMO C#CCN(CCC)CCC[NH2+]C1CC1 130433509 573581032 /nfs/dbraw/zinc/58/10/32/573581032.db2.gz UZZOOQWHJVDVKP-UHFFFAOYSA-N 1 1 194.322 1.474 10 30 ADEEMO C=C(CC(=O)OC)[C@@H]1CC[N@@H+](C)C1 258066019 573581082 /nfs/dbraw/zinc/58/10/82/573581082.db2.gz FBDTXGWTQCIBBO-SECBINFHSA-N 1 1 183.251 1.057 10 30 ADEEMO CC[N@@H+](C)CCC(C)(C)C#N 83640495 573581269 /nfs/dbraw/zinc/58/12/69/573581269.db2.gz VMTGUGHXTMOTPC-UHFFFAOYSA-N 1 1 154.257 1.878 10 30 ADEEMO C[N@H+]1CCC(C)(C)C[C@](N)(CC#N)C1 259517091 573581477 /nfs/dbraw/zinc/58/14/77/573581477.db2.gz CQZMYRFYPZRKMD-LLVKDONJSA-N 1 1 195.310 1.349 10 30 ADEEMO C#C[C@@H]([NH2+]CC)c1ccc(F)cn1 86705839 573581688 /nfs/dbraw/zinc/58/16/88/573581688.db2.gz WBYOLBDANPRSPZ-SECBINFHSA-N 1 1 178.210 1.505 10 30 ADEEMO C#CCN(CCC)C[C@H]1CCC[NH2+]C1 130448507 573581720 /nfs/dbraw/zinc/58/17/20/573581720.db2.gz AZQXXRBVOXPXGD-LBPRGKRZSA-N 1 1 194.322 1.331 10 30 ADEEMO CC#CCC[N@@H+](C)C1(CO)CCC1 308402039 573582015 /nfs/dbraw/zinc/58/20/15/573582015.db2.gz IZXYRBUNJVGWGH-UHFFFAOYSA-N 1 1 181.279 1.247 10 30 ADEEMO C[C@@H]1CC[C@@H](C=O)[N@H+]2CCCC[C@@H]12 238441288 573582084 /nfs/dbraw/zinc/58/20/84/573582084.db2.gz LNRBIRUUSGMYLZ-VWYCJHECSA-N 1 1 181.279 1.838 10 30 ADEEMO C#CCN(CCC)C[C@@H]1CC[NH2+][C@@H]1C 130446002 573582918 /nfs/dbraw/zinc/58/29/18/573582918.db2.gz SSJIZFANQHKVPZ-NEPJUHHUSA-N 1 1 194.322 1.330 10 30 ADEEMO C#CCN(CCC)C[C@H](C)C[NH2+]C 130460768 573583310 /nfs/dbraw/zinc/58/33/10/573583310.db2.gz BDUQBPMWFRRNME-LLVKDONJSA-N 1 1 182.311 1.187 10 30 ADEEMO C[N@@H+](CC(N)=NO)CC1(C)CCCC1 308639364 573583359 /nfs/dbraw/zinc/58/33/59/573583359.db2.gz CFDKTRLRLHXPGF-UHFFFAOYSA-N 1 1 199.298 1.245 10 30 ADEEMO C#CCN(CCC)C[C@@H](C)C[NH2+]C 130460547 573583395 /nfs/dbraw/zinc/58/33/95/573583395.db2.gz BDUQBPMWFRRNME-NSHDSACASA-N 1 1 182.311 1.187 10 30 ADEEMO C#CCN(CCC)C[C@@H]1CCC[NH2+]C1 130448273 573584895 /nfs/dbraw/zinc/58/48/95/573584895.db2.gz AZQXXRBVOXPXGD-GFCCVEGCSA-N 1 1 194.322 1.331 10 30 ADEEMO C[C@@H]1CC[C@@H](CC=O)[N@H+]2CCC[C@@H]12 238442166 573587097 /nfs/dbraw/zinc/58/70/97/573587097.db2.gz GHYXHCIUUNBMOX-VWYCJHECSA-N 1 1 181.279 1.838 10 30 ADEEMO CC1(C)CCC[N@H+](C[C@H](N)C#N)CC1 83681046 573589626 /nfs/dbraw/zinc/58/96/26/573589626.db2.gz ROBPTNFVNNFXQJ-SNVBAGLBSA-N 1 1 195.310 1.349 10 30 ADEEMO C[C@]1(C#N)CC[C@H]2CCC[N@@H+]21 238442956 573588545 /nfs/dbraw/zinc/58/85/45/573588545.db2.gz SLIFDAOEPBSZAV-RKDXNWHRSA-N 1 1 150.225 1.527 10 30 ADEEMO C[C@]1(C#N)CC[C@H]2CCC[N@H+]21 238442956 573588548 /nfs/dbraw/zinc/58/85/48/573588548.db2.gz SLIFDAOEPBSZAV-RKDXNWHRSA-N 1 1 150.225 1.527 10 30 ADEEMO CC1(C)CCC[N@@H+](C[C@H](N)C#N)CC1 83681046 573589632 /nfs/dbraw/zinc/58/96/32/573589632.db2.gz ROBPTNFVNNFXQJ-SNVBAGLBSA-N 1 1 195.310 1.349 10 30 ADEEMO Cc1ccsc1[C@@H]([NH3+])S 259117358 573589938 /nfs/dbraw/zinc/58/99/38/573589938.db2.gz AGPDEFPFFBKCJE-LURJTMIESA-N 1 1 159.279 1.944 10 30 ADEEMO C#CCN(CCC)C[C@H](C)C[NH2+]CC 130464976 573590107 /nfs/dbraw/zinc/59/01/07/573590107.db2.gz SCLDDVOUBWPTPH-GFCCVEGCSA-N 1 1 196.338 1.577 10 30 ADEEMO CC1(C)CCC[N@@H+](C[C@H]2CO2)CC1 83680474 573591295 /nfs/dbraw/zinc/59/12/95/573591295.db2.gz SFQJCDAFPLIYTC-JTQLQIEISA-N 1 1 183.295 1.897 10 30 ADEEMO CC1(C)CCC[N@@H+](CC=O)CC1 83680757 573591093 /nfs/dbraw/zinc/59/10/93/573591093.db2.gz YILYGVCZOKNWPB-UHFFFAOYSA-N 1 1 169.268 1.697 10 30 ADEEMO CCN(CC)[C@H](C#N)[C@H]1CC[N@@H+](C)C1 259519054 573591232 /nfs/dbraw/zinc/59/12/32/573591232.db2.gz ASFLCPFAFNGTIQ-WDEREUQCSA-N 1 1 195.310 1.172 10 30 ADEEMO N#C[C@H]1[NH2+]CCC12CCCCC2 259522033 573591689 /nfs/dbraw/zinc/59/16/89/573591689.db2.gz DKAWCULOPBGCQB-SECBINFHSA-N 1 1 164.252 1.822 10 30 ADEEMO CCN(CC)[C@@H](C#N)[C@H]1CC[N@@H+](C)C1 259519053 573591736 /nfs/dbraw/zinc/59/17/36/573591736.db2.gz ASFLCPFAFNGTIQ-QWRGUYRKSA-N 1 1 195.310 1.172 10 30 ADEEMO C[NH2+][C@H](C=O)c1ccc2ncoc2c1 259136705 573591794 /nfs/dbraw/zinc/59/17/94/573591794.db2.gz BWPJCAHGLOLKCC-SECBINFHSA-N 1 1 190.202 1.287 10 30 ADEEMO C#CC(C)(C)[N@@H+]1CC[C@@H](O)C[C@@H]1C 238443588 573591860 /nfs/dbraw/zinc/59/18/60/573591860.db2.gz GMVUXZINTVPGQK-VHSXEESVSA-N 1 1 181.279 1.243 10 30 ADEEMO N#C[C@H]1[C@@H]([NH3+])[C@@H]1c1ccccc1 259520724 573595075 /nfs/dbraw/zinc/59/50/75/573595075.db2.gz DEOFQDDNJXRQGU-OPRDCNLKSA-N 1 1 158.204 1.251 10 30 ADEEMO C#CCCNC(C)(C)C[NH+](CC)CC 308631852 573594916 /nfs/dbraw/zinc/59/49/16/573594916.db2.gz OCRNWMAAOZAKIN-UHFFFAOYSA-N 1 1 196.338 1.720 10 30 ADEEMO CC(C)[C@]1(C)CC[C@@H](C#N)[NH2+]1 259524542 573595059 /nfs/dbraw/zinc/59/50/59/573595059.db2.gz DRLJMXOKMXWCSX-IUCAKERBSA-N 1 1 152.241 1.677 10 30 ADEEMO N#CC[C@@H]1CCC[N@H+]2CCSC[C@H]12 259522434 573595357 /nfs/dbraw/zinc/59/53/57/573595357.db2.gz AZEPRNXRDYXCEJ-VHSXEESVSA-N 1 1 196.319 1.727 10 30 ADEEMO C[NH2+][C@@H](C=O)c1ccc2ncoc2c1 259136707 573595359 /nfs/dbraw/zinc/59/53/59/573595359.db2.gz BWPJCAHGLOLKCC-VIFPVBQESA-N 1 1 190.202 1.287 10 30 ADEEMO C1C[C@@H]2CCC[N@H+](C[C@@H]3CO3)[C@@H]2C1 83700954 573595409 /nfs/dbraw/zinc/59/54/09/573595409.db2.gz KSKLFRCSMJBVHT-GMTAPVOTSA-N 1 1 181.279 1.650 10 30 ADEEMO CC(C)[C@@]1(C)CC[C@@H](C#N)[NH2+]1 259524538 573595492 /nfs/dbraw/zinc/59/54/92/573595492.db2.gz DRLJMXOKMXWCSX-DTWKUNHWSA-N 1 1 152.241 1.677 10 30 ADEEMO CN(C)[C@H](CC#N)[C@@H]1CCC[N@@H+](C)C1 259522758 573595927 /nfs/dbraw/zinc/59/59/27/573595927.db2.gz MVQVTCQSELKBDG-GHMZBOCLSA-N 1 1 195.310 1.172 10 30 ADEEMO N#CC[C@@H]1CCC[N@H+]2CCSC[C@@H]12 259522432 573595938 /nfs/dbraw/zinc/59/59/38/573595938.db2.gz AZEPRNXRDYXCEJ-UWVGGRQHSA-N 1 1 196.319 1.727 10 30 ADEEMO C#CC[N@H+](CC)C[C@](C)(O)C(C)C 308405436 573595944 /nfs/dbraw/zinc/59/59/44/573595944.db2.gz JLGHPSOEGUYFNE-NSHDSACASA-N 1 1 183.295 1.349 10 30 ADEEMO N#CC[C@H]1CCC[N@H+]2CCSC[C@@H]12 259522437 573595984 /nfs/dbraw/zinc/59/59/84/573595984.db2.gz AZEPRNXRDYXCEJ-ZJUUUORDSA-N 1 1 196.319 1.727 10 30 ADEEMO Cc1[nH]c(CC#N)c(C)[nH+]1 75524923 573596044 /nfs/dbraw/zinc/59/60/44/573596044.db2.gz IIDTYRHFMGWLOA-UHFFFAOYSA-N 1 1 135.170 1.093 10 30 ADEEMO CC(C)[C@@]1(C)CC[C@H](C#N)[NH2+]1 259524544 573596060 /nfs/dbraw/zinc/59/60/60/573596060.db2.gz DRLJMXOKMXWCSX-RKDXNWHRSA-N 1 1 152.241 1.677 10 30 ADEEMO C=CCNc1cc(NCC)nc(C)[nH+]1 258815467 573596155 /nfs/dbraw/zinc/59/61/55/573596155.db2.gz VJHOZQSLAHFQRB-UHFFFAOYSA-N 1 1 192.266 1.815 10 30 ADEEMO CN(C)[C@@H](CC#N)[C@H]1CCC[N@@H+](C)C1 259522762 573596267 /nfs/dbraw/zinc/59/62/67/573596267.db2.gz MVQVTCQSELKBDG-QWRGUYRKSA-N 1 1 195.310 1.172 10 30 ADEEMO C[C@H](C#N)C[NH+]1CCC(CF)CC1 689908684 573596324 /nfs/dbraw/zinc/59/63/24/573596324.db2.gz JTJLISCWRAYJQK-SECBINFHSA-N 1 1 184.258 1.828 10 30 ADEEMO O=CC[N@H+]1CCC[C@H]2CCC[C@H]21 83701683 573596726 /nfs/dbraw/zinc/59/67/26/573596726.db2.gz KXTHSQMJZPWIRT-NXEZZACHSA-N 1 1 167.252 1.450 10 30 ADEEMO C[N@H+]1CCC[C@H](CC#N)C1 75526652 573596747 /nfs/dbraw/zinc/59/67/47/573596747.db2.gz DEMQRPVIHQBNGF-MRVPVSSYSA-N 1 1 138.214 1.242 10 30 ADEEMO CC(C)([NH3+])CCN1CCC(C#N)CC1 259520744 573597755 /nfs/dbraw/zinc/59/77/55/573597755.db2.gz AUHSVCSVFBHUNG-UHFFFAOYSA-N 1 1 195.310 1.349 10 30 ADEEMO CN(C)[C@H](CC#N)[C@H]1CCC[N@@H+](C)C1 259522764 573599092 /nfs/dbraw/zinc/59/90/92/573599092.db2.gz MVQVTCQSELKBDG-WDEREUQCSA-N 1 1 195.310 1.172 10 30 ADEEMO CO[C@]1(C)CCC[N@@H+](CC[C@H]2CO2)C1 308646231 573598970 /nfs/dbraw/zinc/59/89/70/573598970.db2.gz HNACUVJXDCQJQJ-WDEREUQCSA-N 1 1 199.294 1.276 10 30 ADEEMO N#C[C@@H]1[C@@H]([NH3+])[C@@H]1c1ccccc1 259520722 573599108 /nfs/dbraw/zinc/59/91/08/573599108.db2.gz DEOFQDDNJXRQGU-IVZWLZJFSA-N 1 1 158.204 1.251 10 30 ADEEMO CO[C@]1(C)CCC[N@@H+](CC[C@@H]2CO2)C1 308646227 573600101 /nfs/dbraw/zinc/60/01/01/573600101.db2.gz HNACUVJXDCQJQJ-GHMZBOCLSA-N 1 1 199.294 1.276 10 30 ADEEMO Cc1ccc(CC[N@@H+](C)CC=O)o1 258816843 573600471 /nfs/dbraw/zinc/60/04/71/573600471.db2.gz FUMYOIWUYZJMFX-UHFFFAOYSA-N 1 1 181.235 1.261 10 30 ADEEMO CO[C@@]1(C)CCC[N@@H+](CC[C@H]2CO2)C1 308646230 573600356 /nfs/dbraw/zinc/60/03/56/573600356.db2.gz HNACUVJXDCQJQJ-QWRGUYRKSA-N 1 1 199.294 1.276 10 30 ADEEMO Cc1ccc(CC[N@H+](C)CC=O)o1 258816843 573600474 /nfs/dbraw/zinc/60/04/74/573600474.db2.gz FUMYOIWUYZJMFX-UHFFFAOYSA-N 1 1 181.235 1.261 10 30 ADEEMO C=C(Cl)C[NH2+][C@H](C)CN(C)C 130569840 573600868 /nfs/dbraw/zinc/60/08/68/573600868.db2.gz FGVJTBYSEDVSQU-MRVPVSSYSA-N 1 1 176.691 1.279 10 30 ADEEMO Cc1ncc([C@@H]2C[C@@H](C#N)CC[NH2+]2)o1 259524676 573601277 /nfs/dbraw/zinc/60/12/77/573601277.db2.gz BDBNHQBLMULCRM-IUCAKERBSA-N 1 1 191.234 1.547 10 30 ADEEMO OCCC[C@H]1CCC[N@H+]1CC[C@@H]1CO1 308646927 573602740 /nfs/dbraw/zinc/60/27/40/573602740.db2.gz HVMPLNZWIYXQHI-GHMZBOCLSA-N 1 1 199.294 1.012 10 30 ADEEMO CCO[C@H]1CCC[N@@H+](CC[C@@H]2CO2)C1 308647522 573602795 /nfs/dbraw/zinc/60/27/95/573602795.db2.gz ICRPPSRGJAUMPZ-WDEREUQCSA-N 1 1 199.294 1.276 10 30 ADEEMO OCCC[C@@H]1CCC[N@H+]1CC[C@H]1CO1 308646929 573602844 /nfs/dbraw/zinc/60/28/44/573602844.db2.gz HVMPLNZWIYXQHI-QWRGUYRKSA-N 1 1 199.294 1.012 10 30 ADEEMO C=CCCCC[NH2+][C@@H](C)C(=O)OC 393540822 573603474 /nfs/dbraw/zinc/60/34/74/573603474.db2.gz YAZNLOVYBNZJEQ-VIFPVBQESA-N 1 1 185.267 1.494 10 30 ADEEMO CCO[C@H]1CCC[N@@H+](CC[C@H]2CO2)C1 308647521 573603699 /nfs/dbraw/zinc/60/36/99/573603699.db2.gz ICRPPSRGJAUMPZ-QWRGUYRKSA-N 1 1 199.294 1.276 10 30 ADEEMO Cc1ncc([C@H]2C[C@@H](C#N)CC[NH2+]2)o1 259524673 573604045 /nfs/dbraw/zinc/60/40/45/573604045.db2.gz BDBNHQBLMULCRM-DTWKUNHWSA-N 1 1 191.234 1.547 10 30 ADEEMO Cc1ncc([C@@H]2C[C@H](C#N)CC[NH2+]2)o1 259524671 573604392 /nfs/dbraw/zinc/60/43/92/573604392.db2.gz BDBNHQBLMULCRM-BDAKNGLRSA-N 1 1 191.234 1.547 10 30 ADEEMO C=CCCCC[NH2+][C@H](C)C(=O)OC 393540821 573605114 /nfs/dbraw/zinc/60/51/14/573605114.db2.gz YAZNLOVYBNZJEQ-SECBINFHSA-N 1 1 185.267 1.494 10 30 ADEEMO OCCC[C@@H]1CCC[N@H+]1CC[C@@H]1CO1 308647163 573605412 /nfs/dbraw/zinc/60/54/12/573605412.db2.gz HVMPLNZWIYXQHI-WDEREUQCSA-N 1 1 199.294 1.012 10 30 ADEEMO CCO[C@@H]1CCC[N@@H+](CC[C@H]2CO2)C1 308647520 573605874 /nfs/dbraw/zinc/60/58/74/573605874.db2.gz ICRPPSRGJAUMPZ-MNOVXSKESA-N 1 1 199.294 1.276 10 30 ADEEMO CC[C@@]1(C)CC[C@@H](C#N)[NH2+]1 259527180 573608926 /nfs/dbraw/zinc/60/89/26/573608926.db2.gz DVVKDNJPNKDOCO-YUMQZZPRSA-N 1 1 138.214 1.431 10 30 ADEEMO COc1ccc(OC)c([C@H]([NH3+])S)c1 259527485 573607525 /nfs/dbraw/zinc/60/75/25/573607525.db2.gz SNSFLCSPJLHAMA-SECBINFHSA-N 1 1 199.275 1.591 10 30 ADEEMO COc1ccc(OC)c([C@@H]([NH3+])S)c1 259527486 573607603 /nfs/dbraw/zinc/60/76/03/573607603.db2.gz SNSFLCSPJLHAMA-VIFPVBQESA-N 1 1 199.275 1.591 10 30 ADEEMO C[C@@H]1CC[C@]2(C#N)CCCC[N@@H+]12 75546427 573607631 /nfs/dbraw/zinc/60/76/31/573607631.db2.gz PKSZYSXOZFYIQK-ZJUUUORDSA-N 1 1 164.252 1.917 10 30 ADEEMO C[C@H](CN(C)C)[NH2+][C@H]1CCC[C@@H]1C#N 130584390 573607661 /nfs/dbraw/zinc/60/76/61/573607661.db2.gz KJYLBKDDBQQQRC-MXWKQRLJSA-N 1 1 195.310 1.218 10 30 ADEEMO Cc1cc(N)cc([C@@H]([NH3+])CC#N)c1 238448288 573607958 /nfs/dbraw/zinc/60/79/58/573607958.db2.gz FMPQKWCMGBISLA-JTQLQIEISA-N 1 1 175.235 1.491 10 30 ADEEMO C[C@H]1CC[C@@]2(C#N)CCCC[N@@H+]12 75546424 573608194 /nfs/dbraw/zinc/60/81/94/573608194.db2.gz PKSZYSXOZFYIQK-VHSXEESVSA-N 1 1 164.252 1.917 10 30 ADEEMO CC=C(C=O)C(=O)C[NH+]1CCCCC1 78132517 573608232 /nfs/dbraw/zinc/60/82/32/573608232.db2.gz BDXGRHPPKYNFBV-JTQLQIEISA-N 1 1 195.262 1.043 10 30 ADEEMO CC(=O)C1=CC[N@@H+](C(C)C)CC1 258068543 573608715 /nfs/dbraw/zinc/60/87/15/573608715.db2.gz MDANNBPLEWQNOD-UHFFFAOYSA-N 1 1 167.252 1.616 10 30 ADEEMO CC[C@H](C#N)C(=O)[C@@H]1CC[N@@H+](C)C1 259128201 573609105 /nfs/dbraw/zinc/60/91/05/573609105.db2.gz MHKMCVFPRGJAQY-RKDXNWHRSA-N 1 1 180.251 1.057 10 30 ADEEMO C[C@@H]1CC[C@@]2(C#N)CCCC[N@@H+]12 75546422 573609674 /nfs/dbraw/zinc/60/96/74/573609674.db2.gz PKSZYSXOZFYIQK-NXEZZACHSA-N 1 1 164.252 1.917 10 30 ADEEMO CC[C@@]1(C)COCC[N@@H+]1C(C)(C)C=O 687962872 573609692 /nfs/dbraw/zinc/60/96/92/573609692.db2.gz JONSADGGKQYXDQ-NSHDSACASA-N 1 1 199.294 1.465 10 30 ADEEMO CC[C@@]1(C)COCC[N@H+]1C(C)(C)C=O 687962872 573609698 /nfs/dbraw/zinc/60/96/98/573609698.db2.gz JONSADGGKQYXDQ-NSHDSACASA-N 1 1 199.294 1.465 10 30 ADEEMO C=CC[N@@H+]1CCC[C@@H](N(C)CC#N)C1 259128965 573610604 /nfs/dbraw/zinc/61/06/04/573610604.db2.gz AJPLUMYEPFLKHF-LLVKDONJSA-N 1 1 193.294 1.092 10 30 ADEEMO CC(C)Oc1ccc([C@@H]([NH3+])C=O)cc1 259130229 573610678 /nfs/dbraw/zinc/61/06/78/573610678.db2.gz CKIKXRYQASCJJT-NSHDSACASA-N 1 1 193.246 1.673 10 30 ADEEMO Cc1oncc1[C@@H](CCC#N)[NH+](C)C 259528113 573610742 /nfs/dbraw/zinc/61/07/42/573610742.db2.gz BLMWKSBLIOYBAL-SNVBAGLBSA-N 1 1 193.250 1.890 10 30 ADEEMO C=C[C@@H](C)c1noc([C@H]([NH3+])CC)n1 308649628 573610793 /nfs/dbraw/zinc/61/07/93/573610793.db2.gz JNVIROSFOCUOTC-RNFRBKRXSA-N 1 1 181.239 1.769 10 30 ADEEMO N#C[C@@H]1[NH2+]CCC12CCCC2 259527158 573610846 /nfs/dbraw/zinc/61/08/46/573610846.db2.gz DVJUHNXSHFTTCF-QMMMGPOBSA-N 1 1 150.225 1.432 10 30 ADEEMO CC[C@]1(C)CC[C@@H](C#N)[NH2+]1 259527178 573611850 /nfs/dbraw/zinc/61/18/50/573611850.db2.gz DVVKDNJPNKDOCO-JGVFFNPUSA-N 1 1 138.214 1.431 10 30 ADEEMO CC[C@]1(C)CC[C@H](C#N)[NH2+]1 259527177 573612263 /nfs/dbraw/zinc/61/22/63/573612263.db2.gz DVVKDNJPNKDOCO-HTQZYQBOSA-N 1 1 138.214 1.431 10 30 ADEEMO C=C[C@H](C)c1noc([C@H]([NH3+])CC)n1 308649627 573612599 /nfs/dbraw/zinc/61/25/99/573612599.db2.gz JNVIROSFOCUOTC-NKWVEPMBSA-N 1 1 181.239 1.769 10 30 ADEEMO Cc1oncc1[C@H](CCC#N)[NH+](C)C 259528110 573612686 /nfs/dbraw/zinc/61/26/86/573612686.db2.gz BLMWKSBLIOYBAL-JTQLQIEISA-N 1 1 193.250 1.890 10 30 ADEEMO CC[C@@]1(C)CC[C@H](C#N)[NH2+]1 259527179 573612723 /nfs/dbraw/zinc/61/27/23/573612723.db2.gz DVVKDNJPNKDOCO-SFYZADRCSA-N 1 1 138.214 1.431 10 30 ADEEMO CC[C@@H](C#N)C(=O)[C@@H]1CC[N@@H+](C)C1 259128194 573612782 /nfs/dbraw/zinc/61/27/82/573612782.db2.gz MHKMCVFPRGJAQY-DTWKUNHWSA-N 1 1 180.251 1.057 10 30 ADEEMO C[N@@H+]1C[C@H](C#N)[C@@H](O)C[C@@H]1C(C)(C)C 259529609 573613768 /nfs/dbraw/zinc/61/37/68/573613768.db2.gz FEXVPQPFNHBQPX-LPEHRKFASA-N 1 1 196.294 1.237 10 30 ADEEMO C[N@H+]1C[C@H](C#N)[C@@H](O)C[C@@H]1C(C)(C)C 259529609 573613773 /nfs/dbraw/zinc/61/37/73/573613773.db2.gz FEXVPQPFNHBQPX-LPEHRKFASA-N 1 1 196.294 1.237 10 30 ADEEMO C[C@H]1COCC[N@@H+](CCCCC#N)C1 308407031 573614890 /nfs/dbraw/zinc/61/48/90/573614890.db2.gz DCJMWOQMCTVIER-LLVKDONJSA-N 1 1 196.294 1.649 10 30 ADEEMO C[C@@H]1COCC[N@@H+](CCCCC#N)C1 308407033 573615060 /nfs/dbraw/zinc/61/50/60/573615060.db2.gz DCJMWOQMCTVIER-NSHDSACASA-N 1 1 196.294 1.649 10 30 ADEEMO C#C[C@H](CCC)N[C@H]1CC[NH2+]C[C@@H]1C 308643079 573615305 /nfs/dbraw/zinc/61/53/05/573615305.db2.gz FCLKJNJQUQMARH-TUAOUCFPSA-N 1 1 194.322 1.376 10 30 ADEEMO C[N@H+]1CCC[C@H](C#N)C1(C)C 259530486 573615483 /nfs/dbraw/zinc/61/54/83/573615483.db2.gz VWFQIEATHLXZRP-MRVPVSSYSA-N 1 1 152.241 1.630 10 30 ADEEMO N#CCC[C@@H]([NH3+])c1nccs1 259531199 573620532 /nfs/dbraw/zinc/62/05/32/573620532.db2.gz ADDPORYSLJKNFZ-ZCFIWIBFSA-N 1 1 167.237 1.447 10 30 ADEEMO C[NH2+][C@@H](C=O)c1coc2ccccc12 259131629 573616529 /nfs/dbraw/zinc/61/65/29/573616529.db2.gz BPWOPNLVZMIDBO-JTQLQIEISA-N 1 1 189.214 1.892 10 30 ADEEMO F[C@H]1CC[N@@H+](CCC[C@H]2CO2)C1 689908963 573617668 /nfs/dbraw/zinc/61/76/68/573617668.db2.gz ZIQXFPCGWINNOK-IUCAKERBSA-N 1 1 173.231 1.209 10 30 ADEEMO F[C@@H]1CC[N@@H+](CCC[C@@H]2CO2)C1 689908964 573618310 /nfs/dbraw/zinc/61/83/10/573618310.db2.gz ZIQXFPCGWINNOK-RKDXNWHRSA-N 1 1 173.231 1.209 10 30 ADEEMO F[C@@H]1CC[N@@H+](CCC[C@H]2CO2)C1 689908961 573618338 /nfs/dbraw/zinc/61/83/38/573618338.db2.gz ZIQXFPCGWINNOK-BDAKNGLRSA-N 1 1 173.231 1.209 10 30 ADEEMO C=CC[N@H+](CCO)[C@@H]1CCC[C@@H]1OC 308642362 573618390 /nfs/dbraw/zinc/61/83/90/573618390.db2.gz DTMMPRAEDNODCK-MNOVXSKESA-N 1 1 199.294 1.034 10 30 ADEEMO N#C[C@@H]1CCC[N@H+](C2CC2)CC1 107456712 573618593 /nfs/dbraw/zinc/61/85/93/573618593.db2.gz NMEBCLSLHLTAPJ-SECBINFHSA-N 1 1 164.252 1.774 10 30 ADEEMO C[N@@H+]1C[C@H](C#N)[C@@H](O)C[C@H]1C(C)(C)C 259529605 573618616 /nfs/dbraw/zinc/61/86/16/573618616.db2.gz FEXVPQPFNHBQPX-GUBZILKMSA-N 1 1 196.294 1.237 10 30 ADEEMO C[N@H+]1C[C@H](C#N)[C@@H](O)C[C@H]1C(C)(C)C 259529605 573618634 /nfs/dbraw/zinc/61/86/34/573618634.db2.gz FEXVPQPFNHBQPX-GUBZILKMSA-N 1 1 196.294 1.237 10 30 ADEEMO C=CCNC[C@H](C)[N@H+](C)CCC1CC1 308641964 573618674 /nfs/dbraw/zinc/61/86/74/573618674.db2.gz FEJBATRCISYLFZ-NSHDSACASA-N 1 1 196.338 1.882 10 30 ADEEMO C=CCNC[C@H](C)[N@@H+](C)CCC1CC1 308641964 573618682 /nfs/dbraw/zinc/61/86/82/573618682.db2.gz FEJBATRCISYLFZ-NSHDSACASA-N 1 1 196.338 1.882 10 30 ADEEMO C[N@@H+]1C[C@H](C#N)[C@H](O)C[C@@H]1C(C)(C)C 259529607 573618839 /nfs/dbraw/zinc/61/88/39/573618839.db2.gz FEXVPQPFNHBQPX-IVZWLZJFSA-N 1 1 196.294 1.237 10 30 ADEEMO C[N@H+]1C[C@H](C#N)[C@H](O)C[C@@H]1C(C)(C)C 259529607 573618843 /nfs/dbraw/zinc/61/88/43/573618843.db2.gz FEXVPQPFNHBQPX-IVZWLZJFSA-N 1 1 196.294 1.237 10 30 ADEEMO C#C[C@H](CCC)N[C@@H]1CC[NH2+]C[C@H]1C 308643077 573618978 /nfs/dbraw/zinc/61/89/78/573618978.db2.gz FCLKJNJQUQMARH-IJLUTSLNSA-N 1 1 194.322 1.376 10 30 ADEEMO F[C@H]1CC[N@@H+](CCC[C@@H]2CO2)C1 689908962 573619154 /nfs/dbraw/zinc/61/91/54/573619154.db2.gz ZIQXFPCGWINNOK-DTWKUNHWSA-N 1 1 173.231 1.209 10 30 ADEEMO C[N@H+]1CC[C@H](C#N)CC1(C)C 259530800 573619209 /nfs/dbraw/zinc/61/92/09/573619209.db2.gz VYTNGYMYHPZIHV-QMMMGPOBSA-N 1 1 152.241 1.630 10 30 ADEEMO C[N@H+]1CC[C@@H](C#N)CC1(C)C 259530795 573619594 /nfs/dbraw/zinc/61/95/94/573619594.db2.gz VYTNGYMYHPZIHV-MRVPVSSYSA-N 1 1 152.241 1.630 10 30 ADEEMO C=CC[N@@H+]1[C@@H](C)CC(=O)C[C@H]1C 238452240 573620630 /nfs/dbraw/zinc/62/06/30/573620630.db2.gz KPRXIOSILLYHTP-DTORHVGOSA-N 1 1 167.252 1.614 10 30 ADEEMO C=CC[N@H+]1[C@@H](C)CC(=O)C[C@H]1C 238452240 573620636 /nfs/dbraw/zinc/62/06/36/573620636.db2.gz KPRXIOSILLYHTP-DTORHVGOSA-N 1 1 167.252 1.614 10 30 ADEEMO CN(C)/C=[NH+]/c1ncccc1C#N 75564605 573620785 /nfs/dbraw/zinc/62/07/85/573620785.db2.gz CEKKXVLCDLGKIV-KPKJPENVSA-N 1 1 174.207 1.175 10 30 ADEEMO N#CCCCC[NH2+]CC(F)F 147566526 573620940 /nfs/dbraw/zinc/62/09/40/573620940.db2.gz URFIMSBOBHZKMJ-UHFFFAOYSA-N 1 1 162.183 1.535 10 30 ADEEMO N#CCC[C@H]([NH3+])c1nccs1 259531198 573621225 /nfs/dbraw/zinc/62/12/25/573621225.db2.gz ADDPORYSLJKNFZ-LURJTMIESA-N 1 1 167.237 1.447 10 30 ADEEMO N#C[C@@H]1CC[N@H+](C2CCOCC2)C1 107459580 573621388 /nfs/dbraw/zinc/62/13/88/573621388.db2.gz RVWJGDHOJJGGBI-VIFPVBQESA-N 1 1 180.251 1.011 10 30 ADEEMO C[N@H+](CS)CCc1cc[nH]c1 258823371 573624203 /nfs/dbraw/zinc/62/42/03/573624203.db2.gz ALJXHELTVLSFJP-UHFFFAOYSA-N 1 1 170.281 1.376 10 30 ADEEMO C[N@@H+](CS)CCc1cc[nH]c1 258823371 573624209 /nfs/dbraw/zinc/62/42/09/573624209.db2.gz ALJXHELTVLSFJP-UHFFFAOYSA-N 1 1 170.281 1.376 10 30 ADEEMO CC[C@H](CC#N)N[C@@H]1C[C@H](C)[N@@H+](C)C1 126677417 573623094 /nfs/dbraw/zinc/62/30/94/573623094.db2.gz DUHUTPZCMNOMNZ-HBNTYKKESA-N 1 1 195.310 1.361 10 30 ADEEMO C=CC[NH2+]C1(CN)CCCCC1 83759126 573624342 /nfs/dbraw/zinc/62/43/42/573624342.db2.gz IGUKXQVRDQGIMO-UHFFFAOYSA-N 1 1 168.284 1.424 10 30 ADEEMO CCc1cc([C@@H]([NH3+])C=O)ccc1OC 259532694 573626394 /nfs/dbraw/zinc/62/63/94/573626394.db2.gz WLWIBEDJCCCAPK-JTQLQIEISA-N 1 1 193.246 1.456 10 30 ADEEMO N#CC[C@H]1CC[N@H+](C2CCOCC2)C1 107463411 573626664 /nfs/dbraw/zinc/62/66/64/573626664.db2.gz IXNAVVJJFLVHIV-JTQLQIEISA-N 1 1 194.278 1.401 10 30 ADEEMO N#CCCC[C@H]1[NH2+]CCc2c[nH]nc21 259533733 573626691 /nfs/dbraw/zinc/62/66/91/573626691.db2.gz BYTFCSHUHVFUOW-SECBINFHSA-N 1 1 190.250 1.290 10 30 ADEEMO CC(C)[N@H+]1CC[C@H]([C@@H](O)CS)C1 258072285 573626951 /nfs/dbraw/zinc/62/69/51/573626951.db2.gz IUROKLAELBWTOB-IUCAKERBSA-N 1 1 189.324 1.007 10 30 ADEEMO N#CCCC[C@@H]1[NH2+]CCc2c[nH]nc21 259533735 573627871 /nfs/dbraw/zinc/62/78/71/573627871.db2.gz BYTFCSHUHVFUOW-VIFPVBQESA-N 1 1 190.250 1.290 10 30 ADEEMO C[N@H+]1CC[C@@H](C#N)C1(C)C 259532632 573629723 /nfs/dbraw/zinc/62/97/23/573629723.db2.gz WAAUPVSTAQILNQ-ZETCQYMHSA-N 1 1 138.214 1.240 10 30 ADEEMO C[NH2+][C@@H](S)c1cccc(OC)c1 259534904 573631072 /nfs/dbraw/zinc/63/10/72/573631072.db2.gz UVMIULYXXCYEAN-VIFPVBQESA-N 1 1 183.276 1.843 10 30 ADEEMO CCc1cc([C@H]([NH3+])C=O)ccc1OC 259532696 573631226 /nfs/dbraw/zinc/63/12/26/573631226.db2.gz WLWIBEDJCCCAPK-SNVBAGLBSA-N 1 1 193.246 1.456 10 30 ADEEMO COC(=O)C#C[C@@H]1CCC[N@H+]1C(C)C 258073729 573633005 /nfs/dbraw/zinc/63/30/05/573633005.db2.gz FNAYQTSTZHNEQW-JTQLQIEISA-N 1 1 195.262 1.036 10 30 ADEEMO CC[N@H+]1CCCC[C@@H](C=O)C1 211971128 573632921 /nfs/dbraw/zinc/63/29/21/573632921.db2.gz ZUIBPDDJJWMARA-SECBINFHSA-N 1 1 155.241 1.307 10 30 ADEEMO C[C@H](S)[C@@H]1CC[N@@H+](C)C1 259143793 573632942 /nfs/dbraw/zinc/63/29/42/573632942.db2.gz HXUAZJJBSUGJMZ-NKWVEPMBSA-N 1 1 145.271 1.256 10 30 ADEEMO C#CC[NH2+]Cc1ncc(C(C)C)s1 393544898 573633125 /nfs/dbraw/zinc/63/31/25/573633125.db2.gz CPBVPHQGLUZLFQ-UHFFFAOYSA-N 1 1 194.303 1.989 10 30 ADEEMO CC[N@H+]1CCCCC[C@H]1C=O 211971278 573633492 /nfs/dbraw/zinc/63/34/92/573633492.db2.gz ACUNZDCXXMLDOY-VIFPVBQESA-N 1 1 155.241 1.450 10 30 ADEEMO Cc1cscc1C(NC(C)C)=[NH+]N 86816918 573633575 /nfs/dbraw/zinc/63/35/75/573633575.db2.gz AQYHDZMPBNLABM-UHFFFAOYSA-N 1 1 197.307 1.675 10 30 ADEEMO C#CC[N@H+](C)C[C@@H]1C[C@@H](C)O[C@H]1C 686345390 573633637 /nfs/dbraw/zinc/63/36/37/573633637.db2.gz DJQARFQBZXJDSD-VWYCJHECSA-N 1 1 181.279 1.365 10 30 ADEEMO C[C@@H](S)[C@@H]1CC[N@@H+](C)C1 259143796 573633724 /nfs/dbraw/zinc/63/37/24/573633724.db2.gz HXUAZJJBSUGJMZ-RNFRBKRXSA-N 1 1 145.271 1.256 10 30 ADEEMO C[NH2+][C@H](C=O)c1ccccc1OC 259143337 573633929 /nfs/dbraw/zinc/63/39/29/573633929.db2.gz CFAFARKZFIDBGO-SECBINFHSA-N 1 1 179.219 1.155 10 30 ADEEMO Cc1cscc1C(NC1CC1)=[NH+]N 86816920 573634293 /nfs/dbraw/zinc/63/42/93/573634293.db2.gz WSMXUOQSNRWURO-UHFFFAOYSA-N 1 1 195.291 1.429 10 30 ADEEMO CC[C@@H]1C[C@@H](N(C)C)[C@@H](C#N)C[N@@H+]1C 259538878 573639854 /nfs/dbraw/zinc/63/98/54/573639854.db2.gz CHRYFCIIAUOUTQ-HBNTYKKESA-N 1 1 195.310 1.170 10 30 ADEEMO Cc1ccc([C@H]([NH3+])C=O)cc1 259147138 573636986 /nfs/dbraw/zinc/63/69/86/573636986.db2.gz CZJGPAHJQBRACU-SECBINFHSA-N 1 1 149.193 1.194 10 30 ADEEMO Cc1cscc1[C@H]([NH3+])CC#N 238460654 573637041 /nfs/dbraw/zinc/63/70/41/573637041.db2.gz FQOOKKMAGZOTRD-MRVPVSSYSA-N 1 1 166.249 1.970 10 30 ADEEMO C[N@H+]1CCC[C@@H]2C[C@@H](C#N)C[C@H]21 259536219 573637044 /nfs/dbraw/zinc/63/70/44/573637044.db2.gz FVHUSKFRVCHCJY-OPRDCNLKSA-N 1 1 164.252 1.630 10 30 ADEEMO C#C[C@@H](CC)[N@H+](C)[C@@H](CN)C1CC1 126706212 573639565 /nfs/dbraw/zinc/63/95/65/573639565.db2.gz YJWFZDDNCHQQDV-QWRGUYRKSA-N 1 1 180.295 1.067 10 30 ADEEMO Cc1[nH]c([C@H](C)N(C)CC#N)c(C)[nH+]1 259539006 573639610 /nfs/dbraw/zinc/63/96/10/573639610.db2.gz CJABEWLPDUBUKS-QMMMGPOBSA-N 1 1 192.266 1.543 10 30 ADEEMO CC(C)CCC[N@H+](C)CC(=O)CC#N 259145411 573639742 /nfs/dbraw/zinc/63/97/42/573639742.db2.gz FBUAZCZKLWHJEB-UHFFFAOYSA-N 1 1 196.294 1.837 10 30 ADEEMO CC(C)CCC[N@@H+](C)CC(=O)CC#N 259145411 573639747 /nfs/dbraw/zinc/63/97/47/573639747.db2.gz FBUAZCZKLWHJEB-UHFFFAOYSA-N 1 1 196.294 1.837 10 30 ADEEMO OCC[N@@H+](CC[C@H]1CO1)C1CCCC1 308651586 573639781 /nfs/dbraw/zinc/63/97/81/573639781.db2.gz KMRHGORZNMINOC-NSHDSACASA-N 1 1 199.294 1.012 10 30 ADEEMO CC[C@@H]1C[C@@H]([NH+](C)C)[C@@H](C#N)CN1C 259538878 573639848 /nfs/dbraw/zinc/63/98/48/573639848.db2.gz CHRYFCIIAUOUTQ-HBNTYKKESA-N 1 1 195.310 1.170 10 30 ADEEMO CC[C@@H]1C[C@@H](N(C)C)[C@@H](C#N)C[N@H+]1C 259538878 573639862 /nfs/dbraw/zinc/63/98/62/573639862.db2.gz CHRYFCIIAUOUTQ-HBNTYKKESA-N 1 1 195.310 1.170 10 30 ADEEMO CCc1c[nH]c(CCS)[nH+]1 259147224 573639915 /nfs/dbraw/zinc/63/99/15/573639915.db2.gz SENWVUYXPPDEHK-UHFFFAOYSA-N 1 1 156.254 1.444 10 30 ADEEMO CC[C@@H]1C[C@H]([NH+](C)C)[C@@H](C#N)CN1C 259538871 573640974 /nfs/dbraw/zinc/64/09/74/573640974.db2.gz CHRYFCIIAUOUTQ-AXFHLTTASA-N 1 1 195.310 1.170 10 30 ADEEMO CC[C@@H]1C[C@H](N(C)C)[C@@H](C#N)C[N@@H+]1C 259538871 573640978 /nfs/dbraw/zinc/64/09/78/573640978.db2.gz CHRYFCIIAUOUTQ-AXFHLTTASA-N 1 1 195.310 1.170 10 30 ADEEMO CC[C@@H]1C[C@H](N(C)C)[C@@H](C#N)C[N@H+]1C 259538871 573640983 /nfs/dbraw/zinc/64/09/83/573640983.db2.gz CHRYFCIIAUOUTQ-AXFHLTTASA-N 1 1 195.310 1.170 10 30 ADEEMO CC[C@@H]1C[C@H]([NH+](C)C)[C@H](C#N)CN1C 259538880 573641088 /nfs/dbraw/zinc/64/10/88/573641088.db2.gz CHRYFCIIAUOUTQ-MXWKQRLJSA-N 1 1 195.310 1.170 10 30 ADEEMO CC[C@@H]1C[C@H](N(C)C)[C@H](C#N)C[N@@H+]1C 259538880 573641096 /nfs/dbraw/zinc/64/10/96/573641096.db2.gz CHRYFCIIAUOUTQ-MXWKQRLJSA-N 1 1 195.310 1.170 10 30 ADEEMO CC[C@@H]1C[C@H](N(C)C)[C@H](C#N)C[N@H+]1C 259538880 573641101 /nfs/dbraw/zinc/64/11/01/573641101.db2.gz CHRYFCIIAUOUTQ-MXWKQRLJSA-N 1 1 195.310 1.170 10 30 ADEEMO CC[C@@H]1C[C@@H]([NH+](C)C)[C@H](C#N)CN1C 259538874 573641410 /nfs/dbraw/zinc/64/14/10/573641410.db2.gz CHRYFCIIAUOUTQ-GMTAPVOTSA-N 1 1 195.310 1.170 10 30 ADEEMO CC[C@@H]1C[C@@H](N(C)C)[C@H](C#N)C[N@@H+]1C 259538874 573641414 /nfs/dbraw/zinc/64/14/14/573641414.db2.gz CHRYFCIIAUOUTQ-GMTAPVOTSA-N 1 1 195.310 1.170 10 30 ADEEMO CC[C@@H]1C[C@@H](N(C)C)[C@H](C#N)C[N@H+]1C 259538874 573641417 /nfs/dbraw/zinc/64/14/17/573641417.db2.gz CHRYFCIIAUOUTQ-GMTAPVOTSA-N 1 1 195.310 1.170 10 30 ADEEMO C[C@@H](CC#N)[C@@H](C)N1CC[NH+](C)CC1 259537236 573641478 /nfs/dbraw/zinc/64/14/78/573641478.db2.gz CGBABICSIUBWHF-WDEREUQCSA-N 1 1 195.310 1.172 10 30 ADEEMO C[C@@H](CC#N)[C@H](C)N1CC[NH+](C)CC1 259537234 573641548 /nfs/dbraw/zinc/64/15/48/573641548.db2.gz CGBABICSIUBWHF-QWRGUYRKSA-N 1 1 195.310 1.172 10 30 ADEEMO CC1(C)CCCC[C@]1([NH3+])C#N 86847237 573641613 /nfs/dbraw/zinc/64/16/13/573641613.db2.gz PMSUOKHYGLPELQ-VIFPVBQESA-N 1 1 152.241 1.808 10 30 ADEEMO Cc1[nH]c([C@@H](C)N(C)CC#N)c(C)[nH+]1 259539003 573641845 /nfs/dbraw/zinc/64/18/45/573641845.db2.gz CJABEWLPDUBUKS-MRVPVSSYSA-N 1 1 192.266 1.543 10 30 ADEEMO COCC[N@H+]1CC[C@H](C#N)CC1(C)C 259536777 573642851 /nfs/dbraw/zinc/64/28/51/573642851.db2.gz WIYPHIRFNMDGIH-JTQLQIEISA-N 1 1 196.294 1.647 10 30 ADEEMO C[NH+]1CCN([C@H](C#N)C(C)(C)C)CC1 83804593 573642187 /nfs/dbraw/zinc/64/21/87/573642187.db2.gz PBLKNTFKJMHBOK-SNVBAGLBSA-N 1 1 195.310 1.172 10 30 ADEEMO C[C@H](CC#N)[C@@H](C)N1CC[NH+](C)CC1 259537230 573642440 /nfs/dbraw/zinc/64/24/40/573642440.db2.gz CGBABICSIUBWHF-GHMZBOCLSA-N 1 1 195.310 1.172 10 30 ADEEMO CC(C)[C@](C)(C#N)N1CC[NH+](C)CC1 83804623 573643713 /nfs/dbraw/zinc/64/37/13/573643713.db2.gz GZZYUSVBEGYYNY-NSHDSACASA-N 1 1 195.310 1.172 10 30 ADEEMO COc1cc(C#N)c(O)c([C@H](C)[NH3+])c1 238463620 573643724 /nfs/dbraw/zinc/64/37/24/573643724.db2.gz RYUFPWYLTCMTPD-LURJTMIESA-N 1 1 192.218 1.292 10 30 ADEEMO CCC[C@](C)(C#N)N1CC[NH+](C)CC1 83804610 573643841 /nfs/dbraw/zinc/64/38/41/573643841.db2.gz JMMHGQBGZJDDNL-LLVKDONJSA-N 1 1 195.310 1.316 10 30 ADEEMO COC[C@H]1CCC[N@@H+](CC[C@H]2CO2)C1 308655257 573643850 /nfs/dbraw/zinc/64/38/50/573643850.db2.gz NEVYTUCNIWYYCY-QWRGUYRKSA-N 1 1 199.294 1.134 10 30 ADEEMO Cc1ccc(CC#N)c(N)[nH+]1 238463499 573644084 /nfs/dbraw/zinc/64/40/84/573644084.db2.gz JXWDVWTZMSCCBQ-UHFFFAOYSA-N 1 1 147.181 1.038 10 30 ADEEMO CC[C@@H](C)[C@@H](C#N)N1CC[NH+](C)CC1 83804613 573644323 /nfs/dbraw/zinc/64/43/23/573644323.db2.gz PJMGEMPVNFMQOT-GHMZBOCLSA-N 1 1 195.310 1.172 10 30 ADEEMO CCO[C@@]1(CC=O)CCC[N@@H+](C)CC1 257839205 573644331 /nfs/dbraw/zinc/64/43/31/573644331.db2.gz JJYINXLWRCWUGT-NSHDSACASA-N 1 1 199.294 1.466 10 30 ADEEMO C[C@@H]1CC[C@@H](C#N)C[N@H+]1C 82410607 573644369 /nfs/dbraw/zinc/64/43/69/573644369.db2.gz NJYIFDLUZZHMBO-SFYZADRCSA-N 1 1 138.214 1.240 10 30 ADEEMO CC1(C)CCCC[C@@]1([NH3+])C#N 86847240 573644722 /nfs/dbraw/zinc/64/47/22/573644722.db2.gz PMSUOKHYGLPELQ-SECBINFHSA-N 1 1 152.241 1.808 10 30 ADEEMO N#Cc1csc(C[NH+]2CCC2)c1 306434021 573644781 /nfs/dbraw/zinc/64/47/81/573644781.db2.gz YQYUOUMHJRNEOP-UHFFFAOYSA-N 1 1 178.260 1.825 10 30 ADEEMO C[NH+]1CCN([C@@H](C#N)C(C)(C)C)CC1 83804594 573644939 /nfs/dbraw/zinc/64/49/39/573644939.db2.gz PBLKNTFKJMHBOK-JTQLQIEISA-N 1 1 195.310 1.172 10 30 ADEEMO C[NH2+][C@H](C=O)c1ccc(Cl)cc1 259539485 573645009 /nfs/dbraw/zinc/64/50/09/573645009.db2.gz VCPAEJCGJWSKEG-SECBINFHSA-N 1 1 183.638 1.799 10 30 ADEEMO C=CCNC1=[NH+][C@H](C)C(=C)S1 238463104 573645450 /nfs/dbraw/zinc/64/54/50/573645450.db2.gz FSTIFLFRCNHPHQ-ZCFIWIBFSA-N 1 1 168.265 1.767 10 30 ADEEMO CCC(C#N)(CC)N1CC[NH+](C)CC1 83804607 573646151 /nfs/dbraw/zinc/64/61/51/573646151.db2.gz CHBIKGYKNLUTKX-UHFFFAOYSA-N 1 1 195.310 1.316 10 30 ADEEMO CC[C@H](C)[C@H](C#N)N1CC[NH+](C)CC1 83804617 573646337 /nfs/dbraw/zinc/64/63/37/573646337.db2.gz PJMGEMPVNFMQOT-QWRGUYRKSA-N 1 1 195.310 1.172 10 30 ADEEMO CC(C)[C@@](C)(C#N)N1CC[NH+](C)CC1 83804622 573646364 /nfs/dbraw/zinc/64/63/64/573646364.db2.gz GZZYUSVBEGYYNY-LLVKDONJSA-N 1 1 195.310 1.172 10 30 ADEEMO COC[C@@H]1CCC[N@@H+](CC[C@H]2CO2)C1 308655256 573646393 /nfs/dbraw/zinc/64/63/93/573646393.db2.gz NEVYTUCNIWYYCY-MNOVXSKESA-N 1 1 199.294 1.134 10 30 ADEEMO C/C=N/C[C@@H]1CCC[C@@H]1[NH3+] 211981044 573646500 /nfs/dbraw/zinc/64/65/00/573646500.db2.gz XNGZCYFBDWLSKS-FKNIKKSESA-N 1 1 140.230 1.205 10 30 ADEEMO COC[C@H]1CCC[N@@H+](CC[C@@H]2CO2)C1 308655258 573646562 /nfs/dbraw/zinc/64/65/62/573646562.db2.gz NEVYTUCNIWYYCY-WDEREUQCSA-N 1 1 199.294 1.134 10 30 ADEEMO CCO[C@]1(CC=O)CCC[N@@H+](C)CC1 257839201 573646778 /nfs/dbraw/zinc/64/67/78/573646778.db2.gz JJYINXLWRCWUGT-LLVKDONJSA-N 1 1 199.294 1.466 10 30 ADEEMO CC[C@@H](C)[C@H](C#N)N1CC[NH+](C)CC1 83804616 573646782 /nfs/dbraw/zinc/64/67/82/573646782.db2.gz PJMGEMPVNFMQOT-MNOVXSKESA-N 1 1 195.310 1.172 10 30 ADEEMO C[NH2+][C@@H](C=O)c1ccc(Cl)cc1 259539486 573646940 /nfs/dbraw/zinc/64/69/40/573646940.db2.gz VCPAEJCGJWSKEG-VIFPVBQESA-N 1 1 183.638 1.799 10 30 ADEEMO C[C@H]1CC[C@@H](C#N)C[N@H+]1C 82410608 573648053 /nfs/dbraw/zinc/64/80/53/573648053.db2.gz NJYIFDLUZZHMBO-YUMQZZPRSA-N 1 1 138.214 1.240 10 30 ADEEMO C[N@H+](CC=O)CCC1CCC1 258842380 573651334 /nfs/dbraw/zinc/65/13/34/573651334.db2.gz IEBSNYNDFGFBGY-UHFFFAOYSA-N 1 1 155.241 1.307 10 30 ADEEMO C#C[C@@H](CCC)[NH2+]Cc1cc(C)no1 308657204 573650291 /nfs/dbraw/zinc/65/02/91/573650291.db2.gz OASRBYNALKAWIW-JTQLQIEISA-N 1 1 192.262 1.875 10 30 ADEEMO C#CC[C@@H](CC)[NH2+][C@H](C)CCN(C)C 393667642 573650757 /nfs/dbraw/zinc/65/07/57/573650757.db2.gz NTAIETVLZRUMIF-VXGBXAGGSA-N 1 1 196.338 1.718 10 30 ADEEMO C#C[C@H](CCC)[NH2+]Cc1cc(C)no1 308657205 573650940 /nfs/dbraw/zinc/65/09/40/573650940.db2.gz OASRBYNALKAWIW-SNVBAGLBSA-N 1 1 192.262 1.875 10 30 ADEEMO N#CC1(C[NH2+]Cc2ccc[nH]2)CC1 258837285 573650992 /nfs/dbraw/zinc/65/09/92/573650992.db2.gz DVCFAIZRENJXAM-UHFFFAOYSA-N 1 1 175.235 1.408 10 30 ADEEMO COc1cc(C#N)cc2[nH]c(N)nc12 238465911 573652266 /nfs/dbraw/zinc/65/22/66/573652266.db2.gz LZBWFKBSLUVBIP-UHFFFAOYSA-N 1 1 188.190 1.025 10 30 ADEEMO COc1cc(C#N)cc2[nH]c(N)[nH+]c12 238465911 573652271 /nfs/dbraw/zinc/65/22/71/573652271.db2.gz LZBWFKBSLUVBIP-UHFFFAOYSA-N 1 1 188.190 1.025 10 30 ADEEMO C=CC[N@@H+]1C[C@H](CCO)CC1(C)C 259543718 573652870 /nfs/dbraw/zinc/65/28/70/573652870.db2.gz WVDQARZSCYFWBW-SNVBAGLBSA-N 1 1 183.295 1.655 10 30 ADEEMO COCC[N@H+]1C[C@H](C#N)CC1(C)C 259541989 573654254 /nfs/dbraw/zinc/65/42/54/573654254.db2.gz WRDLKCPEKIZKDF-VIFPVBQESA-N 1 1 182.267 1.257 10 30 ADEEMO C=C(CC(=O)OC)[C@H]1CCC[N@@H+]1CC 258080825 573654435 /nfs/dbraw/zinc/65/44/35/573654435.db2.gz FUHVTWZLHRCRMR-SNVBAGLBSA-N 1 1 197.278 1.590 10 30 ADEEMO CC[N@H+]1CCC[C@@H](CC#CCO)C1 258080880 573654465 /nfs/dbraw/zinc/65/44/65/573654465.db2.gz FVBDMWXHDLMTLW-LLVKDONJSA-N 1 1 181.279 1.104 10 30 ADEEMO C[C@]1([NH3+])C(=O)C=Cc2ccccc21 238458111 573654504 /nfs/dbraw/zinc/65/45/04/573654504.db2.gz YUPYSOKGHBFIMB-LLVKDONJSA-N 1 1 173.215 1.456 10 30 ADEEMO C=C(CO)[C@H]1CCCC[N@@H+]1C 258081109 573658062 /nfs/dbraw/zinc/65/80/62/573658062.db2.gz FXPGNPWOCJDHQH-SECBINFHSA-N 1 1 155.241 1.019 10 30 ADEEMO CC1(C)CCC[C@]1([NH3+])C#N 86866000 573660560 /nfs/dbraw/zinc/66/05/60/573660560.db2.gz PNEGPOJHYFVBAB-QMMMGPOBSA-N 1 1 138.214 1.418 10 30 ADEEMO Cc1ccccc1C[NH2+]CS 258851103 573660568 /nfs/dbraw/zinc/66/05/68/573660568.db2.gz DJINEHZFVPIMQN-UHFFFAOYSA-N 1 1 167.277 1.972 10 30 ADEEMO CC#CC[NH2+]Cc1ccn(C(F)F)n1 308664737 573660581 /nfs/dbraw/zinc/66/05/81/573660581.db2.gz RXUKHBQDOUTOSX-UHFFFAOYSA-N 1 1 199.204 1.391 10 30 ADEEMO CN(CC=O)c1ccc2nc[nH]c2c1 258846367 573661908 /nfs/dbraw/zinc/66/19/08/573661908.db2.gz IMZMJGFIXQMWKV-UHFFFAOYSA-N 1 1 189.218 1.198 10 30 ADEEMO C=CCNC1=[NH+][C@@H](C)C(=C)S1 238472284 573660640 /nfs/dbraw/zinc/66/06/40/573660640.db2.gz FSTIFLFRCNHPHQ-LURJTMIESA-N 1 1 168.265 1.767 10 30 ADEEMO CN(CC=O)c1ccc2[nH]c[nH+]c2c1 258846367 573661910 /nfs/dbraw/zinc/66/19/10/573661910.db2.gz IMZMJGFIXQMWKV-UHFFFAOYSA-N 1 1 189.218 1.198 10 30 ADEEMO CC1(C)CCC[C@@]1([NH3+])C#N 86866001 573660875 /nfs/dbraw/zinc/66/08/75/573660875.db2.gz PNEGPOJHYFVBAB-MRVPVSSYSA-N 1 1 138.214 1.418 10 30 ADEEMO C[C@H]([NH3+])c1nc2c(C#N)cccc2o1 259544432 573660951 /nfs/dbraw/zinc/66/09/51/573660951.db2.gz CKHOFIQUAXMOST-LURJTMIESA-N 1 1 187.202 1.719 10 30 ADEEMO C=C(C[NH2+]CC)CN(C)CCC1CC1 308666090 573662124 /nfs/dbraw/zinc/66/21/24/573662124.db2.gz SOMBLFRIHSUEOZ-UHFFFAOYSA-N 1 1 196.338 1.884 10 30 ADEEMO CC1(F)CC[NH+](CC=O)CC1 257842472 573662227 /nfs/dbraw/zinc/66/22/27/573662227.db2.gz CBMUQPIOUGHJRW-UHFFFAOYSA-N 1 1 159.204 1.009 10 30 ADEEMO C=CC[C@H](C)[NH2+]CCc1n[nH]c(C)n1 308663958 573662304 /nfs/dbraw/zinc/66/23/04/573662304.db2.gz RJEGLERGTWUDRR-QMMMGPOBSA-N 1 1 194.282 1.210 10 30 ADEEMO C=CC[C@H](C)[NH2+]CCc1nnc(C)[nH]1 308663958 573662313 /nfs/dbraw/zinc/66/23/13/573662313.db2.gz RJEGLERGTWUDRR-QMMMGPOBSA-N 1 1 194.282 1.210 10 30 ADEEMO CC(C)[N@H+]1CC[C@@H](C(F)(F)C=O)C1 257846632 573664895 /nfs/dbraw/zinc/66/48/95/573664895.db2.gz NURDCZGPMQBBGS-MRVPVSSYSA-N 1 1 191.221 1.551 10 30 ADEEMO Cc1ccc(C)c2c1CC[NH2+][C@H]2C=O 75649133 573664539 /nfs/dbraw/zinc/66/45/39/573664539.db2.gz YAQUSEINWLFLSO-NSHDSACASA-N 1 1 189.258 1.689 10 30 ADEEMO Cc1cc(CC[NH2+][C@@H](C)CC#N)on1 308665713 573664747 /nfs/dbraw/zinc/66/47/47/573664747.db2.gz SHXRJCIEHKYOHQ-QMMMGPOBSA-N 1 1 193.250 1.417 10 30 ADEEMO Cc1cc(=O)c([C@H]([NH3+])CC#N)c[nH]1 238475228 573665876 /nfs/dbraw/zinc/66/58/76/573665876.db2.gz LRCSCDORIKMYEK-MRVPVSSYSA-N 1 1 177.207 1.009 10 30 ADEEMO Cc1cc(C)c2c(c1)CC[NH2+][C@@H]2C=O 75659039 573666230 /nfs/dbraw/zinc/66/62/30/573666230.db2.gz YKBKLJYUUHTOKC-LLVKDONJSA-N 1 1 189.258 1.689 10 30 ADEEMO Cc1cc(C)c2c(c1)CC[NH2+][C@H]2C=O 75659041 573666687 /nfs/dbraw/zinc/66/66/87/573666687.db2.gz YKBKLJYUUHTOKC-NSHDSACASA-N 1 1 189.258 1.689 10 30 ADEEMO C[N@H+]1CC[C@H](c2ccc(C#N)cn2)C1 259546024 573669493 /nfs/dbraw/zinc/66/94/93/573669493.db2.gz CDWNPKZZOCNBRV-JTQLQIEISA-N 1 1 187.246 1.372 10 30 ADEEMO CN(CS)C[C@@H]1CCC[N@@H+](C)C1 258862994 573669546 /nfs/dbraw/zinc/66/95/46/573669546.db2.gz FOQVVVDYQFCTNS-SECBINFHSA-N 1 1 188.340 1.147 10 30 ADEEMO CN(CS)C[C@H]1CCC[N@@H+](C)C1 258862995 573669975 /nfs/dbraw/zinc/66/99/75/573669975.db2.gz FOQVVVDYQFCTNS-VIFPVBQESA-N 1 1 188.340 1.147 10 30 ADEEMO C=CC[N@@H+]1CC[C@@H](CCO)C1(C)C 259550451 573670040 /nfs/dbraw/zinc/67/00/40/573670040.db2.gz XFTZCJOOYVLCGQ-JTQLQIEISA-N 1 1 183.295 1.655 10 30 ADEEMO C[N@H+]1CC[C@]2(C1)SCC[C@H]2C#N 259546961 573670853 /nfs/dbraw/zinc/67/08/53/573670853.db2.gz CODOYDLSWMEHBZ-DTWKUNHWSA-N 1 1 182.292 1.337 10 30 ADEEMO SCCNc1ccc2[nH]c[nH+]c2c1 258866412 573671279 /nfs/dbraw/zinc/67/12/79/573671279.db2.gz KOPMXHSJQLVTLI-UHFFFAOYSA-N 1 1 193.275 1.905 10 30 ADEEMO C[N@@H+](CCCC#N)CCc1ccc[nH]1 258869265 573671338 /nfs/dbraw/zinc/67/13/38/573671338.db2.gz GOCHKYAATUMZMX-UHFFFAOYSA-N 1 1 191.278 1.793 10 30 ADEEMO CC[C@@H](C)ON=C1C[C@H](C)[N@@H+](C)C1 308412250 573671360 /nfs/dbraw/zinc/67/13/60/573671360.db2.gz LWVZSHYZLFFABY-DTWKUNHWSA-N 1 1 184.283 1.882 10 30 ADEEMO C=CC[N@@H+]1CC[C@H](CCO)C1(C)C 259550452 573671912 /nfs/dbraw/zinc/67/19/12/573671912.db2.gz XFTZCJOOYVLCGQ-SNVBAGLBSA-N 1 1 183.295 1.655 10 30 ADEEMO CC(C)[N@H+]1CCC[C@@H]1CC#CCO 258078632 573672131 /nfs/dbraw/zinc/67/21/31/573672131.db2.gz FTDUFIRLNLDPEB-NSHDSACASA-N 1 1 181.279 1.245 10 30 ADEEMO CCCCCCCC[NH2+]C1CNC1 126758533 573672179 /nfs/dbraw/zinc/67/21/79/573672179.db2.gz JNJMSRROFDUUNO-UHFFFAOYSA-N 1 1 184.327 1.908 10 30 ADEEMO C[N@H+]1CC[C@]2(C1)SCC[C@@H]2C#N 259546966 573672335 /nfs/dbraw/zinc/67/23/35/573672335.db2.gz CODOYDLSWMEHBZ-RKDXNWHRSA-N 1 1 182.292 1.337 10 30 ADEEMO CC[C@H](C)ON=C1C[C@@H](C)[N@@H+](C)C1 308412249 573672664 /nfs/dbraw/zinc/67/26/64/573672664.db2.gz LWVZSHYZLFFABY-BDAKNGLRSA-N 1 1 184.283 1.882 10 30 ADEEMO CC(C)[N@H+]1CCC[C@H]1CC#CCO 258078630 573672989 /nfs/dbraw/zinc/67/29/89/573672989.db2.gz FTDUFIRLNLDPEB-LLVKDONJSA-N 1 1 181.279 1.245 10 30 ADEEMO C[N@@H+](CCCS)C1CCC1 144673909 573673143 /nfs/dbraw/zinc/67/31/43/573673143.db2.gz VVBWNMBWHYWMFJ-UHFFFAOYSA-N 1 1 159.298 1.791 10 30 ADEEMO CC[C@@H](C)ON=C1C[C@@H](C)[N@@H+](C)C1 308412252 573673144 /nfs/dbraw/zinc/67/31/44/573673144.db2.gz LWVZSHYZLFFABY-RKDXNWHRSA-N 1 1 184.283 1.882 10 30 ADEEMO C[N@H+]1CC[C@@]2(C1)SCC[C@@H]2C#N 259546958 573673258 /nfs/dbraw/zinc/67/32/58/573673258.db2.gz CODOYDLSWMEHBZ-BDAKNGLRSA-N 1 1 182.292 1.337 10 30 ADEEMO CC[C@H](C)ON=C1C[C@H](C)[N@@H+](C)C1 308412251 573673347 /nfs/dbraw/zinc/67/33/47/573673347.db2.gz LWVZSHYZLFFABY-IUCAKERBSA-N 1 1 184.283 1.882 10 30 ADEEMO C=C(CO)C[C@H]1CCC[N@H+](CC)C1 258076215 573673856 /nfs/dbraw/zinc/67/38/56/573673856.db2.gz FPBAHDKUIAKULN-LLVKDONJSA-N 1 1 183.295 1.657 10 30 ADEEMO C#CC[N@@H+](CCO)Cc1ccsc1 308412457 573673971 /nfs/dbraw/zinc/67/39/71/573673971.db2.gz PDKXNINNTLQQBC-UHFFFAOYSA-N 1 1 195.287 1.176 10 30 ADEEMO C#CC[N@H+](CCO)Cc1ccsc1 308412457 573673976 /nfs/dbraw/zinc/67/39/76/573673976.db2.gz PDKXNINNTLQQBC-UHFFFAOYSA-N 1 1 195.287 1.176 10 30 ADEEMO Cn1cc[nH+]c1CCC[C@H]1CO1 126747286 573674558 /nfs/dbraw/zinc/67/45/58/573674558.db2.gz BDKCNLVSZLETSB-QMMMGPOBSA-N 1 1 166.224 1.142 10 30 ADEEMO CO[C@]1(C=O)CCC[N@H+](C(C)(C)C)C1 257846199 573674849 /nfs/dbraw/zinc/67/48/49/573674849.db2.gz LMKZNZBWBJNSBG-LLVKDONJSA-N 1 1 199.294 1.465 10 30 ADEEMO C[N@H+]1CC[C@@]2(C1)SCC[C@H]2C#N 259546964 573675009 /nfs/dbraw/zinc/67/50/09/573675009.db2.gz CODOYDLSWMEHBZ-IUCAKERBSA-N 1 1 182.292 1.337 10 30 ADEEMO Cc1cc2c(cc1F)CC[NH2+][C@H]2C=O 75709268 573675066 /nfs/dbraw/zinc/67/50/66/573675066.db2.gz WYOPXSSZIKEMQA-NSHDSACASA-N 1 1 193.221 1.520 10 30 ADEEMO Cc1ccc(O)c2c1[C@@H](C=O)[NH2+]CC2 75699440 573676549 /nfs/dbraw/zinc/67/65/49/573676549.db2.gz HEVRHOKVRDRKGE-SECBINFHSA-N 1 1 191.230 1.086 10 30 ADEEMO C[N@H+]1CCO[C@@H]2CC[C@H](CC#N)C[C@@H]21 259548566 573676566 /nfs/dbraw/zinc/67/65/66/573676566.db2.gz DDQWIRAETVIWKF-OUAUKWLOSA-N 1 1 194.278 1.399 10 30 ADEEMO C#CCC[N@@H+]1CCCC[C@@H]1CN(C)C 308414515 573676763 /nfs/dbraw/zinc/67/67/63/573676763.db2.gz JLHLBZDPWCNTNL-GFCCVEGCSA-N 1 1 194.322 1.426 10 30 ADEEMO C#CCCN1CCCC[C@@H]1C[NH+](C)C 308414515 573676767 /nfs/dbraw/zinc/67/67/67/573676767.db2.gz JLHLBZDPWCNTNL-GFCCVEGCSA-N 1 1 194.322 1.426 10 30 ADEEMO C[N@H+]1CCO[C@@H]2CC[C@@H](CC#N)C[C@@H]21 259548556 573676964 /nfs/dbraw/zinc/67/69/64/573676964.db2.gz DDQWIRAETVIWKF-GARJFASQSA-N 1 1 194.278 1.399 10 30 ADEEMO Cc1cc2c(cc1F)CC[NH2+][C@@H]2C=O 75709267 573677110 /nfs/dbraw/zinc/67/71/10/573677110.db2.gz WYOPXSSZIKEMQA-LLVKDONJSA-N 1 1 193.221 1.520 10 30 ADEEMO Cc1ccc2c(c1C)CC[NH2+][C@H]2C=O 75703442 573677261 /nfs/dbraw/zinc/67/72/61/573677261.db2.gz GJKVTETWALANHQ-LBPRGKRZSA-N 1 1 189.258 1.689 10 30 ADEEMO Cn1c[nH+]c2cc(NCS)ccc21 258874192 573677567 /nfs/dbraw/zinc/67/75/67/573677567.db2.gz HAQCPAORIQOMDH-UHFFFAOYSA-N 1 1 193.275 1.873 10 30 ADEEMO Cc1ccc2c(c1O)CC[NH2+][C@@H]2C=O 75687196 573677658 /nfs/dbraw/zinc/67/76/58/573677658.db2.gz GJKLDPMKXBWJCN-SNVBAGLBSA-N 1 1 191.230 1.086 10 30 ADEEMO CO[C@@]1(C=O)CCC[N@H+](C(C)(C)C)C1 257846201 573677929 /nfs/dbraw/zinc/67/79/29/573677929.db2.gz LMKZNZBWBJNSBG-NSHDSACASA-N 1 1 199.294 1.465 10 30 ADEEMO COc1ccc([C@H]([NH3+])C=O)cc1C 259549856 573678082 /nfs/dbraw/zinc/67/80/82/573678082.db2.gz XJZVZQOJKGMJFY-SECBINFHSA-N 1 1 179.219 1.202 10 30 ADEEMO N#Cc1c(C2CC2)[nH]c2c1C[NH2+]C2 259550775 573678120 /nfs/dbraw/zinc/67/81/20/573678120.db2.gz BQQRMVQXTFAJFK-UHFFFAOYSA-N 1 1 173.219 1.367 10 30 ADEEMO Cc1c(F)ccc2c1[C@@H](C=O)[NH2+]CC2 75712485 573678359 /nfs/dbraw/zinc/67/83/59/573678359.db2.gz HFUOXKHTFBKTDZ-SNVBAGLBSA-N 1 1 193.221 1.520 10 30 ADEEMO C[C@]1(c2ccccc2)O[C@@]1(C#N)C[NH3+] 238469729 573680300 /nfs/dbraw/zinc/68/03/00/573680300.db2.gz LAAZISIMANRUAP-GHMZBOCLSA-N 1 1 188.230 1.153 10 30 ADEEMO C#CC[N@H+](CC1CC1)[C@H](CC)CN 130816994 573680382 /nfs/dbraw/zinc/68/03/82/573680382.db2.gz FJXBRQOVADLNNK-LLVKDONJSA-N 1 1 180.295 1.069 10 30 ADEEMO C#CC[N@@H+](CC1CC1)[C@H](CC)CN 130816994 573680388 /nfs/dbraw/zinc/68/03/88/573680388.db2.gz FJXBRQOVADLNNK-LLVKDONJSA-N 1 1 180.295 1.069 10 30 ADEEMO C[N@H+]1CCO[C@@H]2CC[C@H](CC#N)C[C@H]21 259548560 573680712 /nfs/dbraw/zinc/68/07/12/573680712.db2.gz DDQWIRAETVIWKF-GMTAPVOTSA-N 1 1 194.278 1.399 10 30 ADEEMO C#CCN(C)[C@H](C)[C@@H](C)C[NH2+]CCC 130836462 573680800 /nfs/dbraw/zinc/68/08/00/573680800.db2.gz ZEIDPJHTCMRFQJ-NWDGAFQWSA-N 1 1 196.338 1.576 10 30 ADEEMO N#C[C@H]1CCC[N@H+]1CC1CCC1 83838976 573680948 /nfs/dbraw/zinc/68/09/48/573680948.db2.gz HLQBGMWZSLOTHW-SNVBAGLBSA-N 1 1 164.252 1.774 10 30 ADEEMO C=C(CC(=O)OC)C[C@@H]1CC[N@@H+](C)C1 258090430 573680920 /nfs/dbraw/zinc/68/09/20/573680920.db2.gz GJWKETCLYNYQLH-JTQLQIEISA-N 1 1 197.278 1.448 10 30 ADEEMO N#C[C@H]1CCC[N@@H+]1CC1CCC1 83838976 573680940 /nfs/dbraw/zinc/68/09/40/573680940.db2.gz HLQBGMWZSLOTHW-SNVBAGLBSA-N 1 1 164.252 1.774 10 30 ADEEMO C[NH2+][C@H](c1cc[nH]c1)C1(C#N)CC1 259157002 573683162 /nfs/dbraw/zinc/68/31/62/573683162.db2.gz CTIXGHDBAXTVSJ-SECBINFHSA-N 1 1 175.235 1.579 10 30 ADEEMO C=CCC[N@@H+]1CCCC[C@H](CO)C1 308415953 573683231 /nfs/dbraw/zinc/68/32/31/573683231.db2.gz QTMZPIRDPYECMA-NSHDSACASA-N 1 1 183.295 1.657 10 30 ADEEMO C#CCCC[N@@H+]1C[C@H](CO)CC[C@H]1C 688730220 573683319 /nfs/dbraw/zinc/68/33/19/573683319.db2.gz KDHDEFJIWQTPHT-VXGBXAGGSA-N 1 1 195.306 1.493 10 30 ADEEMO Cc1cc(C#N)c(C[NH3+])nc1C(F)F 238478040 573683325 /nfs/dbraw/zinc/68/33/25/573683325.db2.gz QPVJADOYONNAJA-UHFFFAOYSA-N 1 1 197.188 1.658 10 30 ADEEMO CC#CCC[N@H+](C)C(C)(C)COC 308415562 573683350 /nfs/dbraw/zinc/68/33/50/573683350.db2.gz QNJPUWWLLLFDFJ-UHFFFAOYSA-N 1 1 183.295 1.757 10 30 ADEEMO C#CCN(C)[C@@H](C)[C@H](C)C[NH2+]CCC 130836653 573683646 /nfs/dbraw/zinc/68/36/46/573683646.db2.gz ZEIDPJHTCMRFQJ-NEPJUHHUSA-N 1 1 196.338 1.576 10 30 ADEEMO C#CCN(CC1CC1)[C@H](C)CC[NH2+]C 130819815 573683738 /nfs/dbraw/zinc/68/37/38/573683738.db2.gz KPFSSVNGBNSCFG-LLVKDONJSA-N 1 1 194.322 1.330 10 30 ADEEMO C=CC[C@@H](C)N1CCC[C@H]1C[NH2+]C 714996146 573683809 /nfs/dbraw/zinc/68/38/09/573683809.db2.gz OBKLMALMNOICRP-MNOVXSKESA-N 1 1 182.311 1.635 10 30 ADEEMO O=C[C@H]1CCCC[N@H+]1CC1CCC1 83841961 573684077 /nfs/dbraw/zinc/68/40/77/573684077.db2.gz ICCVVAUUPCQCRY-LLVKDONJSA-N 1 1 181.279 1.840 10 30 ADEEMO C#C[C@]1(O)CC[N@@H+](CCCC=C)C1 308420109 573684207 /nfs/dbraw/zinc/68/42/07/573684207.db2.gz SMDXBWMPTBRTNF-NSHDSACASA-N 1 1 179.263 1.023 10 30 ADEEMO C=CCC[N@@H+]1CCCC[C@@H](CO)C1 308415949 573684263 /nfs/dbraw/zinc/68/42/63/573684263.db2.gz QTMZPIRDPYECMA-LLVKDONJSA-N 1 1 183.295 1.657 10 30 ADEEMO C#CCCC[N@@H+]1C[C@H](CO)CC[C@@H]1C 688730207 573684325 /nfs/dbraw/zinc/68/43/25/573684325.db2.gz KDHDEFJIWQTPHT-NWDGAFQWSA-N 1 1 195.306 1.493 10 30 ADEEMO CON=C(C)Cn1c[nH+]c(C)c1C 308420368 573684407 /nfs/dbraw/zinc/68/44/07/573684407.db2.gz OQCKVYBGFJTBKH-UHFFFAOYSA-N 1 1 181.239 1.522 10 30 ADEEMO Cc1ccc(C[NH2+]C[C@H](C)C#N)n1C 308672505 573684511 /nfs/dbraw/zinc/68/45/11/573684511.db2.gz VKLOYNSZJWWSCD-SECBINFHSA-N 1 1 191.278 1.583 10 30 ADEEMO O=C[C@@H]1CCC[N@@H+](CC2CCC2)C1 83841959 573684585 /nfs/dbraw/zinc/68/45/85/573684585.db2.gz IWWWIVCZTMASAG-LLVKDONJSA-N 1 1 181.279 1.697 10 30 ADEEMO N#C[C@]1(N)CCC[N@@H+](C2CCCC2)C1 259157673 573684603 /nfs/dbraw/zinc/68/46/03/573684603.db2.gz CCHWRCHSOWJMMH-LLVKDONJSA-N 1 1 193.294 1.246 10 30 ADEEMO N#C[C@]1(N)CCC[N@H+](C2CCCC2)C1 259157673 573684608 /nfs/dbraw/zinc/68/46/08/573684608.db2.gz CCHWRCHSOWJMMH-LLVKDONJSA-N 1 1 193.294 1.246 10 30 ADEEMO C#CCCC[N@@H+]1C[C@@H](CO)CC[C@H]1C 688730205 573684904 /nfs/dbraw/zinc/68/49/04/573684904.db2.gz KDHDEFJIWQTPHT-NEPJUHHUSA-N 1 1 195.306 1.493 10 30 ADEEMO C=CC[N@@H+]1CC[C@H](COC(F)F)C1 308415566 573685017 /nfs/dbraw/zinc/68/50/17/573685017.db2.gz QNMYYRRTAAMCMU-QMMMGPOBSA-N 1 1 191.221 1.734 10 30 ADEEMO C/C(=[NH+]/N)c1cc(Cl)ccc1N 238470363 573685360 /nfs/dbraw/zinc/68/53/60/573685360.db2.gz VPJLQNFZAHRIII-XGICHPGQSA-N 1 1 183.642 1.605 10 30 ADEEMO Cc1cc(O)cc([C@@H]([NH3+])CC#N)c1 238479474 573686906 /nfs/dbraw/zinc/68/69/06/573686906.db2.gz YXYIIQQCPPOWOO-JTQLQIEISA-N 1 1 176.219 1.614 10 30 ADEEMO C#CCCC[N@@H+]1C[C@@H](CO)CC[C@@H]1C 688730213 573687035 /nfs/dbraw/zinc/68/70/35/573687035.db2.gz KDHDEFJIWQTPHT-RYUDHWBXSA-N 1 1 195.306 1.493 10 30 ADEEMO C#CCN(C)Cc1cccc(C[NH3+])c1 130853164 573688353 /nfs/dbraw/zinc/68/83/53/573688353.db2.gz APGQCWQLQOIIHD-UHFFFAOYSA-N 1 1 188.274 1.210 10 30 ADEEMO CCCCC[N@@H+]1CC[C@@](N)(C#N)C1 259170200 573687981 /nfs/dbraw/zinc/68/79/81/573687981.db2.gz AQFJXGKAEBKKBO-SNVBAGLBSA-N 1 1 181.283 1.103 10 30 ADEEMO CCCCC[N@H+]1CC[C@@](N)(C#N)C1 259170200 573687986 /nfs/dbraw/zinc/68/79/86/573687986.db2.gz AQFJXGKAEBKKBO-SNVBAGLBSA-N 1 1 181.283 1.103 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CCN[C@@H](C)[C@H]1C 714996202 573688200 /nfs/dbraw/zinc/68/82/00/573688200.db2.gz OKJBLWMDBAJXQL-GARJFASQSA-N 1 1 182.311 1.633 10 30 ADEEMO C=CC[C@H](C)N1CC[NH2+][C@@H](C)[C@H]1C 714996202 573688208 /nfs/dbraw/zinc/68/82/08/573688208.db2.gz OKJBLWMDBAJXQL-GARJFASQSA-N 1 1 182.311 1.633 10 30 ADEEMO C=C[C@H]([NH3+])c1cc(C)cc(C#N)c1O 238478627 573688255 /nfs/dbraw/zinc/68/82/55/573688255.db2.gz OJTAPFYERDSDJW-JTQLQIEISA-N 1 1 188.230 1.758 10 30 ADEEMO N#C[C@@]1(N)CCC[N@@H+](C2CCCC2)C1 259157676 573688463 /nfs/dbraw/zinc/68/84/63/573688463.db2.gz CCHWRCHSOWJMMH-NSHDSACASA-N 1 1 193.294 1.246 10 30 ADEEMO N#C[C@@]1(N)CCC[N@H+](C2CCCC2)C1 259157676 573688468 /nfs/dbraw/zinc/68/84/68/573688468.db2.gz CCHWRCHSOWJMMH-NSHDSACASA-N 1 1 193.294 1.246 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CCN[C@@H](C)[C@@H]1C 714996201 573688570 /nfs/dbraw/zinc/68/85/70/573688570.db2.gz OKJBLWMDBAJXQL-DCAQKATOSA-N 1 1 182.311 1.633 10 30 ADEEMO C=CC[C@H](C)N1CC[NH2+][C@@H](C)[C@@H]1C 714996201 573688576 /nfs/dbraw/zinc/68/85/76/573688576.db2.gz OKJBLWMDBAJXQL-DCAQKATOSA-N 1 1 182.311 1.633 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1C[C@H](C)N[C@H](C)C1 714996273 573688764 /nfs/dbraw/zinc/68/87/64/573688764.db2.gz OZDFLIGOUBKYCP-OUAUKWLOSA-N 1 1 182.311 1.633 10 30 ADEEMO C=CC[C@@H](C)N1C[C@H](C)[NH2+][C@H](C)C1 714996273 573688768 /nfs/dbraw/zinc/68/87/68/573688768.db2.gz OZDFLIGOUBKYCP-OUAUKWLOSA-N 1 1 182.311 1.633 10 30 ADEEMO C=CC[C@@H](C)[N@H+](C)[C@@H]1CCCNC1 714996276 573688897 /nfs/dbraw/zinc/68/88/97/573688897.db2.gz PCUQVEMZPRFIHV-GHMZBOCLSA-N 1 1 182.311 1.635 10 30 ADEEMO C=CC[C@@H](C)[N@@H+](C)[C@@H]1CCCNC1 714996276 573688903 /nfs/dbraw/zinc/68/89/03/573688903.db2.gz PCUQVEMZPRFIHV-GHMZBOCLSA-N 1 1 182.311 1.635 10 30 ADEEMO CCCCC[N@@H+]1CC[C@](N)(C#N)C1 259170198 573689572 /nfs/dbraw/zinc/68/95/72/573689572.db2.gz AQFJXGKAEBKKBO-JTQLQIEISA-N 1 1 181.283 1.103 10 30 ADEEMO CCCCC[N@H+]1CC[C@](N)(C#N)C1 259170198 573689577 /nfs/dbraw/zinc/68/95/77/573689577.db2.gz AQFJXGKAEBKKBO-JTQLQIEISA-N 1 1 181.283 1.103 10 30 ADEEMO C=CC[C@H](C)N1CCC[C@H]1C[NH2+]C 714996148 573689337 /nfs/dbraw/zinc/68/93/37/573689337.db2.gz OBKLMALMNOICRP-QWRGUYRKSA-N 1 1 182.311 1.635 10 30 ADEEMO C=C[C@@H]([NH3+])c1cc(C)cc(C#N)c1O 238478808 573689478 /nfs/dbraw/zinc/68/94/78/573689478.db2.gz OJTAPFYERDSDJW-SNVBAGLBSA-N 1 1 188.230 1.758 10 30 ADEEMO C=CC[C@H](C)N1CCC[C@@H]1C[NH2+]C 714996150 573689527 /nfs/dbraw/zinc/68/95/27/573689527.db2.gz OBKLMALMNOICRP-WDEREUQCSA-N 1 1 182.311 1.635 10 30 ADEEMO Cc1ccc2c(c1F)CC[NH2+][C@@H]2C=O 75749453 573689673 /nfs/dbraw/zinc/68/96/73/573689673.db2.gz IBTJYCJHFXMMMV-SNVBAGLBSA-N 1 1 193.221 1.520 10 30 ADEEMO C[N@@H+](CCCCS)[C@@H]1CCOC1 162109118 573689721 /nfs/dbraw/zinc/68/97/21/573689721.db2.gz DGKFFQSGXCHXMP-SECBINFHSA-N 1 1 189.324 1.417 10 30 ADEEMO C=CC[C@H](C)N1C[C@@H](C)[NH2+][C@H](C)C1 714996271 573689784 /nfs/dbraw/zinc/68/97/84/573689784.db2.gz OZDFLIGOUBKYCP-MXWKQRLJSA-N 1 1 182.311 1.633 10 30 ADEEMO CSCC[N@H+]1CCCC[C@@H]1C=O 130853542 573689948 /nfs/dbraw/zinc/68/99/48/573689948.db2.gz PZZDAURGZLFHOO-SECBINFHSA-N 1 1 187.308 1.403 10 30 ADEEMO C#CC[N@@H+]1CC[C@@H](COC(F)F)C1 308417015 573690017 /nfs/dbraw/zinc/69/00/17/573690017.db2.gz RBUNOOSGOCKUEW-MRVPVSSYSA-N 1 1 189.205 1.181 10 30 ADEEMO C=CC[C@H](C)[N@H+]1C[C@H](C)C[C@@H](N)C1 714996417 573690140 /nfs/dbraw/zinc/69/01/40/573690140.db2.gz QRFAYNSFDQUGJF-OUAUKWLOSA-N 1 1 182.311 1.620 10 30 ADEEMO C=CC[C@H](C)N1C[C@H](C)C[C@@H]([NH3+])C1 714996417 573690143 /nfs/dbraw/zinc/69/01/43/573690143.db2.gz QRFAYNSFDQUGJF-OUAUKWLOSA-N 1 1 182.311 1.620 10 30 ADEEMO C=CC[C@H](C)[N@H+]1C[C@@H](C)C[C@@H](N)C1 714996412 573690216 /nfs/dbraw/zinc/69/02/16/573690216.db2.gz QRFAYNSFDQUGJF-GARJFASQSA-N 1 1 182.311 1.620 10 30 ADEEMO C=CC[C@H](C)N1C[C@@H](C)C[C@@H]([NH3+])C1 714996412 573690222 /nfs/dbraw/zinc/69/02/22/573690222.db2.gz QRFAYNSFDQUGJF-GARJFASQSA-N 1 1 182.311 1.620 10 30 ADEEMO CSCC[N@H+]1CCC[C@@H](C=O)C1 130851955 573690378 /nfs/dbraw/zinc/69/03/78/573690378.db2.gz HZNTVXHBBKNVDR-SECBINFHSA-N 1 1 187.308 1.260 10 30 ADEEMO Cc1cc(F)cc2c1CC[NH2+][C@@H]2C=O 75737596 573690404 /nfs/dbraw/zinc/69/04/04/573690404.db2.gz DIFCWKUKGQCATC-LLVKDONJSA-N 1 1 193.221 1.520 10 30 ADEEMO CSCC[N@H+]1CCCC[C@H]1C=O 130853754 573690457 /nfs/dbraw/zinc/69/04/57/573690457.db2.gz PZZDAURGZLFHOO-VIFPVBQESA-N 1 1 187.308 1.403 10 30 ADEEMO N#CCCc1[nH+]cn2c1CCCC2 259556782 573691204 /nfs/dbraw/zinc/69/12/04/573691204.db2.gz CCWMWCUXZQXCKK-UHFFFAOYSA-N 1 1 175.235 1.676 10 30 ADEEMO Cc1cc(O)cc([C@H]([NH3+])CC#N)c1 238479856 573691227 /nfs/dbraw/zinc/69/12/27/573691227.db2.gz YXYIIQQCPPOWOO-SNVBAGLBSA-N 1 1 176.219 1.614 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CCNC[C@@H](C)C1 714997045 573691286 /nfs/dbraw/zinc/69/12/86/573691286.db2.gz YAAOUXMDYGTQKZ-MNOVXSKESA-N 1 1 182.311 1.492 10 30 ADEEMO C=CC[C@H](C)N1CC[NH2+]C[C@@H](C)C1 714997045 573691289 /nfs/dbraw/zinc/69/12/89/573691289.db2.gz YAAOUXMDYGTQKZ-MNOVXSKESA-N 1 1 182.311 1.492 10 30 ADEEMO COc1ccc([C@@H]([NH3+])S)c(OC)c1 259164484 573691390 /nfs/dbraw/zinc/69/13/90/573691390.db2.gz CAVNRYYNRQQGAN-VIFPVBQESA-N 1 1 199.275 1.591 10 30 ADEEMO C=C[C@H]([NH3+])c1cc(C#N)cc(C)c1O 238479850 573691421 /nfs/dbraw/zinc/69/14/21/573691421.db2.gz JBPKASFSLUSYOT-JTQLQIEISA-N 1 1 188.230 1.758 10 30 ADEEMO C=CC[C@H](C)[N@H+]1C[C@@H](C)C[C@H](N)C1 714996410 573691514 /nfs/dbraw/zinc/69/15/14/573691514.db2.gz QRFAYNSFDQUGJF-DCAQKATOSA-N 1 1 182.311 1.620 10 30 ADEEMO C=CC[C@H](C)N1C[C@@H](C)C[C@H]([NH3+])C1 714996410 573691522 /nfs/dbraw/zinc/69/15/22/573691522.db2.gz QRFAYNSFDQUGJF-DCAQKATOSA-N 1 1 182.311 1.620 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CCNC[C@H](C)C1 714997046 573692461 /nfs/dbraw/zinc/69/24/61/573692461.db2.gz YAAOUXMDYGTQKZ-QWRGUYRKSA-N 1 1 182.311 1.492 10 30 ADEEMO C=CC[C@H](C)N1CC[NH2+]C[C@H](C)C1 714997046 573692467 /nfs/dbraw/zinc/69/24/67/573692467.db2.gz YAAOUXMDYGTQKZ-QWRGUYRKSA-N 1 1 182.311 1.492 10 30 ADEEMO C=CCO[C@H](C)C[NH2+][C@@H](C)C(F)F 393550698 573692950 /nfs/dbraw/zinc/69/29/50/573692950.db2.gz QMIGCLYOPZSGNF-SFYZADRCSA-N 1 1 193.237 1.821 10 30 ADEEMO CC[N@@H+](C)CC1(CC#N)CC1 83862261 573692621 /nfs/dbraw/zinc/69/26/21/573692621.db2.gz DAQKIKNMSJPNEM-UHFFFAOYSA-N 1 1 152.241 1.632 10 30 ADEEMO C=CC[N@@H+](CCOC)CCC(C)=O 308419170 573694146 /nfs/dbraw/zinc/69/41/46/573694146.db2.gz OFXXFCIZNIMERU-UHFFFAOYSA-N 1 1 185.267 1.100 10 30 ADEEMO Cc1cc(C#N)cc2[nH]c(N)[nH+]c12 238481513 573694421 /nfs/dbraw/zinc/69/44/21/573694421.db2.gz WOJFJZSZMAJTEX-UHFFFAOYSA-N 1 1 172.191 1.325 10 30 ADEEMO C=C(C)C[N@@H+]1CC[C@H](CCOC)C1 308419746 573695847 /nfs/dbraw/zinc/69/58/47/573695847.db2.gz OISUXRQZNGEXLE-LLVKDONJSA-N 1 1 183.295 1.921 10 30 ADEEMO C#CC[N@H+](C[C@@H](C)COC)C1CC1 308424917 573700018 /nfs/dbraw/zinc/70/00/18/573700018.db2.gz QOCLOOFLBVWRGO-SNVBAGLBSA-N 1 1 181.279 1.367 10 30 ADEEMO Cc1cc(C#N)ccc1[C@@H]([NH3+])CC#N 238482520 573700821 /nfs/dbraw/zinc/70/08/21/573700821.db2.gz XWNSCFORGACSOY-NSHDSACASA-N 1 1 185.230 1.780 10 30 ADEEMO C#CC[N@H+](C/C=C\C)C1CC1 393588968 573699325 /nfs/dbraw/zinc/69/93/25/573699325.db2.gz NGOGKTXZZDPAHR-HYXAFXHYSA-N 1 1 149.237 1.660 10 30 ADEEMO Cc1cc(C#N)ccc1[C@H]([NH3+])CC#N 238483025 573699678 /nfs/dbraw/zinc/69/96/78/573699678.db2.gz XWNSCFORGACSOY-LLVKDONJSA-N 1 1 185.230 1.780 10 30 ADEEMO CC[C@@H](C#N)N1CC[N@H+]2CCC[C@@H]2C1 86932475 573699710 /nfs/dbraw/zinc/69/97/10/573699710.db2.gz FHPPCIQAQLFSNZ-WDEREUQCSA-N 1 1 193.294 1.069 10 30 ADEEMO C=CC[N@@H+]1C[C@H](O)CCC1(C)C 259167597 573700059 /nfs/dbraw/zinc/70/00/59/573700059.db2.gz AMDMGYGSJYIDLN-SECBINFHSA-N 1 1 169.268 1.408 10 30 ADEEMO C=CCC[N@@H+]1CC[C@@H](OC(F)F)C1 308424915 573700955 /nfs/dbraw/zinc/70/09/55/573700955.db2.gz VZHWDHODGUDKJE-MRVPVSSYSA-N 1 1 191.221 1.876 10 30 ADEEMO C=CC[N@H+](CC)Cc1cncnc1 393552902 573701932 /nfs/dbraw/zinc/70/19/32/573701932.db2.gz FRVBCTUGHNCNRH-UHFFFAOYSA-N 1 1 177.251 1.485 10 30 ADEEMO C[C@@]1(C=O)CC[N@@H+]1Cc1ccccc1 238484000 573703279 /nfs/dbraw/zinc/70/32/79/573703279.db2.gz NCMTVSSRWZDNQT-LBPRGKRZSA-N 1 1 189.258 1.850 10 30 ADEEMO C[C@@]1(C=O)CC[N@H+]1Cc1ccccc1 238484000 573703284 /nfs/dbraw/zinc/70/32/84/573703284.db2.gz NCMTVSSRWZDNQT-LBPRGKRZSA-N 1 1 189.258 1.850 10 30 ADEEMO C#C[C@@H](CC)NC1(C[NH+](C)C)CCC1 393552850 573704423 /nfs/dbraw/zinc/70/44/23/573704423.db2.gz USPVCVCRRVMRJM-NSHDSACASA-N 1 1 194.322 1.472 10 30 ADEEMO C#C[C@H](CC)NC1(C[NH+](C)C)CCC1 393552849 573704705 /nfs/dbraw/zinc/70/47/05/573704705.db2.gz USPVCVCRRVMRJM-LLVKDONJSA-N 1 1 194.322 1.472 10 30 ADEEMO C#CC[N@H+](CC=C)C[C@@H]1CC[C@@H]([NH3+])C1 308689036 573708763 /nfs/dbraw/zinc/70/87/63/573708763.db2.gz QTOVEAGWACBTSS-VXGBXAGGSA-N 1 1 192.306 1.235 10 30 ADEEMO C=CC[C@H](CO)Nc1ccc(C)c[nH+]1 308689093 573707336 /nfs/dbraw/zinc/70/73/36/573707336.db2.gz FIEMNPPBWQXTSB-SNVBAGLBSA-N 1 1 192.262 1.739 10 30 ADEEMO C#CC[N@H+](CC=C)C[C@H]1CC[C@H]([NH3+])C1 308689032 573707520 /nfs/dbraw/zinc/70/75/20/573707520.db2.gz QTOVEAGWACBTSS-RYUDHWBXSA-N 1 1 192.306 1.235 10 30 ADEEMO C=C[C@@H](C)c1noc(C[NH2+]CC)n1 308688370 573707809 /nfs/dbraw/zinc/70/78/09/573707809.db2.gz CVWOBZOVEGRWDT-SSDOTTSWSA-N 1 1 181.239 1.469 10 30 ADEEMO C[C@@]([NH3+])(C#N)CCCOCC(F)F 130781744 573708189 /nfs/dbraw/zinc/70/81/89/573708189.db2.gz FXIHVSFDYJZXEF-QMMMGPOBSA-N 1 1 192.209 1.289 10 30 ADEEMO C=CC[C@@H](CO)Nc1ccc(C)c[nH+]1 308689089 573708220 /nfs/dbraw/zinc/70/82/20/573708220.db2.gz FIEMNPPBWQXTSB-JTQLQIEISA-N 1 1 192.262 1.739 10 30 ADEEMO C[C@@H](C[C@](C)([NH3+])C#N)OCC(F)F 130799103 573708511 /nfs/dbraw/zinc/70/85/11/573708511.db2.gz CQNSSVXVDDCZGG-XPUUQOCRSA-N 1 1 192.209 1.288 10 30 ADEEMO C#CC[N@H+](CC=C)C[C@H]1CC[C@@H]([NH3+])C1 308689027 573708631 /nfs/dbraw/zinc/70/86/31/573708631.db2.gz QTOVEAGWACBTSS-NWDGAFQWSA-N 1 1 192.306 1.235 10 30 ADEEMO C[NH+](C)CC#Cc1ccc(C=O)cc1 198502820 573708823 /nfs/dbraw/zinc/70/88/23/573708823.db2.gz FLEZLVCHDKKNIF-UHFFFAOYSA-N 1 1 187.242 1.412 10 30 ADEEMO C#CC[N@H+](CC=C)C[C@@H](C)CCC[NH3+] 308688604 573708979 /nfs/dbraw/zinc/70/89/79/573708979.db2.gz QPMGMDDPVQWZIS-LBPRGKRZSA-N 1 1 194.322 1.483 10 30 ADEEMO C[C@]([NH3+])(C#N)CCCOCC(F)F 130781529 573709677 /nfs/dbraw/zinc/70/96/77/573709677.db2.gz FXIHVSFDYJZXEF-MRVPVSSYSA-N 1 1 192.209 1.289 10 30 ADEEMO COCCC[N@H+]1CC[C@H](C#N)C1(C)C 259561092 573710453 /nfs/dbraw/zinc/71/04/53/573710453.db2.gz XVWHJJDRPMRRSA-SNVBAGLBSA-N 1 1 196.294 1.647 10 30 ADEEMO Cc1[nH]ccc1[C@@H]([NH3+])CC#N 238493225 573712181 /nfs/dbraw/zinc/71/21/81/573712181.db2.gz MTCSBPBLCPGLAR-QMMMGPOBSA-N 1 1 149.197 1.237 10 30 ADEEMO CC[N@H+]1CCCC[C@@H]1CC#CC=O 258095045 573713015 /nfs/dbraw/zinc/71/30/15/573713015.db2.gz GSSRBPHNTSERAI-LLVKDONJSA-N 1 1 179.263 1.453 10 30 ADEEMO C=CCCC[C@@H](C)[NH2+][C@H]1CCOC1=O 308679569 573715673 /nfs/dbraw/zinc/71/56/73/573715673.db2.gz XFSIRYMIMQZPOM-ZJUUUORDSA-N 1 1 197.278 1.636 10 30 ADEEMO C#CCN(CCC)[C@@H]1CC[C@@H]1C[NH2+]C 130951859 573715935 /nfs/dbraw/zinc/71/59/35/573715935.db2.gz LQZLHLOOEXPTOX-VXGBXAGGSA-N 1 1 194.322 1.330 10 30 ADEEMO C#CCCN1CC[C@H]([NH2+]CC)C[C@H]1C 69790749 573716217 /nfs/dbraw/zinc/71/62/17/573716217.db2.gz OKCXLYRMEFXUNL-NEPJUHHUSA-N 1 1 194.322 1.472 10 30 ADEEMO CC[C@@H]1c2ccc(C#N)n2CC[N@@H+]1C 259562314 573716253 /nfs/dbraw/zinc/71/62/53/573716253.db2.gz FGRGEYQMBHWGLN-SNVBAGLBSA-N 1 1 189.262 1.756 10 30 ADEEMO CC#C[C@@H]([NH3+])c1ccccn1 238040369 573716512 /nfs/dbraw/zinc/71/65/12/573716512.db2.gz AESPFOKHIWTMKU-MRVPVSSYSA-N 1 1 146.193 1.105 10 30 ADEEMO C#CC[N@H+](CCC)CC(C)(C)C[NH2+]C 130949896 573716588 /nfs/dbraw/zinc/71/65/88/573716588.db2.gz GKBWJCWSSUUPHH-UHFFFAOYSA-N 1 1 196.338 1.577 10 30 ADEEMO C#CCN(CCC)CC(C)(C)C[NH2+]C 130949896 573716594 /nfs/dbraw/zinc/71/65/94/573716594.db2.gz GKBWJCWSSUUPHH-UHFFFAOYSA-N 1 1 196.338 1.577 10 30 ADEEMO C[S+](C)c1cccc(O)c1 238494413 573717222 /nfs/dbraw/zinc/71/72/22/573717222.db2.gz SRNUOKNNVORIGK-UHFFFAOYSA-O 1 1 155.242 1.629 10 30 ADEEMO C#CCN(C)[C@@H](C)[C@@H](C)C[NH2+]C(C)C 130864591 573717296 /nfs/dbraw/zinc/71/72/96/573717296.db2.gz QVPDYLYIYOVATP-RYUDHWBXSA-N 1 1 196.338 1.574 10 30 ADEEMO C#CCN(C)[C@@H](C)[C@H](C)C[NH2+]CC 130872471 573717371 /nfs/dbraw/zinc/71/73/71/573717371.db2.gz UZRSGYGPBSOIPH-MNOVXSKESA-N 1 1 182.311 1.186 10 30 ADEEMO O=CCc1cnc([C@H]2CCCC[NH2+]2)o1 258097067 573717572 /nfs/dbraw/zinc/71/75/72/573717572.db2.gz NFZBPMSSMJAPHR-SECBINFHSA-N 1 1 194.234 1.231 10 30 ADEEMO C#CCN(CCC)[C@@H](C)CC[NH2+]CC 130958041 573717641 /nfs/dbraw/zinc/71/76/41/573717641.db2.gz ABFZUBQOIJZVCN-LBPRGKRZSA-N 1 1 196.338 1.720 10 30 ADEEMO C=CCCC[C@H](C)[NH2+][C@@H]1CCOC1=O 308679568 573717761 /nfs/dbraw/zinc/71/77/61/573717761.db2.gz XFSIRYMIMQZPOM-VHSXEESVSA-N 1 1 197.278 1.636 10 30 ADEEMO C#C[C@H](C)NC1(C[NH+](C)C)CCC1 393555870 573717771 /nfs/dbraw/zinc/71/77/71/573717771.db2.gz XOGWCTDGMXDNAM-JTQLQIEISA-N 1 1 180.295 1.082 10 30 ADEEMO C[C@]([NH3+])(CC#N)c1cccc(F)c1O 238493871 573717885 /nfs/dbraw/zinc/71/78/85/573717885.db2.gz KMAXXOFEGLIZIM-JTQLQIEISA-N 1 1 194.209 1.619 10 30 ADEEMO C#CCN(C)[C@H](C)[C@H](C)C[NH2+]C(C)C 130864009 573717931 /nfs/dbraw/zinc/71/79/31/573717931.db2.gz QVPDYLYIYOVATP-VXGBXAGGSA-N 1 1 196.338 1.574 10 30 ADEEMO C#CC[N@H+](CCC)[C@H](C)CC[NH2+]C 130942396 573718009 /nfs/dbraw/zinc/71/80/09/573718009.db2.gz SHPFQEKKDFDAAM-LLVKDONJSA-N 1 1 182.311 1.330 10 30 ADEEMO C#CCN(CCC)[C@H](C)CC[NH2+]C 130942396 573718013 /nfs/dbraw/zinc/71/80/13/573718013.db2.gz SHPFQEKKDFDAAM-LLVKDONJSA-N 1 1 182.311 1.330 10 30 ADEEMO C[C@H]([NH3+])Cc1cc(F)c(O)c(C#N)c1 258098445 573718109 /nfs/dbraw/zinc/71/81/09/573718109.db2.gz OOHFGHFLHJFGRG-LURJTMIESA-N 1 1 194.209 1.293 10 30 ADEEMO C#CCN(C)[C@H](C)[C@H](C)C[NH2+]CC 130872076 573718353 /nfs/dbraw/zinc/71/83/53/573718353.db2.gz UZRSGYGPBSOIPH-GHMZBOCLSA-N 1 1 182.311 1.186 10 30 ADEEMO CC#CCC[N@H+]1CCC[C@@H]1C=O 238029980 573718356 /nfs/dbraw/zinc/71/83/56/573718356.db2.gz CLCFUTWDPOUGDR-SNVBAGLBSA-N 1 1 165.236 1.063 10 30 ADEEMO C#CCN(CCC)[C@H](C)CC[NH2+]CC 130958253 573718403 /nfs/dbraw/zinc/71/84/03/573718403.db2.gz ABFZUBQOIJZVCN-GFCCVEGCSA-N 1 1 196.338 1.720 10 30 ADEEMO C#CCN(C)[C@H](C)[C@@H](C)C[NH2+]C(C)C 130864187 573718419 /nfs/dbraw/zinc/71/84/19/573718419.db2.gz QVPDYLYIYOVATP-NWDGAFQWSA-N 1 1 196.338 1.574 10 30 ADEEMO C[C@@H]([NH3+])Cc1cc(F)c(O)c(C#N)c1 258098448 573718525 /nfs/dbraw/zinc/71/85/25/573718525.db2.gz OOHFGHFLHJFGRG-ZCFIWIBFSA-N 1 1 194.209 1.293 10 30 ADEEMO C=CCCC[C@@H](C)[NH2+][C@@H]1CCOC1=O 308679566 573718628 /nfs/dbraw/zinc/71/86/28/573718628.db2.gz XFSIRYMIMQZPOM-NXEZZACHSA-N 1 1 197.278 1.636 10 30 ADEEMO Cc1[nH+]ccn1C[C@@H](C)C=O 108282213 573718663 /nfs/dbraw/zinc/71/86/63/573718663.db2.gz GTACNKIQMLPYFB-SSDOTTSWSA-N 1 1 152.197 1.027 10 30 ADEEMO CC[C@H](C#N)C[N@@H+](C)CC 258891427 573719930 /nfs/dbraw/zinc/71/99/30/573719930.db2.gz DCUUZZDRKUIIGL-MRVPVSSYSA-N 1 1 140.230 1.488 10 30 ADEEMO Cc1[nH+]ccn1C[C@H](C)C=O 108282215 573720175 /nfs/dbraw/zinc/72/01/75/573720175.db2.gz GTACNKIQMLPYFB-ZETCQYMHSA-N 1 1 152.197 1.027 10 30 ADEEMO C#CCN(C)[C@H](C)[C@H](C)C[NH2+]C1CC1 130882237 573720636 /nfs/dbraw/zinc/72/06/36/573720636.db2.gz SOPXWXUQYULLJH-GHMZBOCLSA-N 1 1 194.322 1.328 10 30 ADEEMO C#CCN(C)[C@@H](C)[C@H](C)C[NH2+]C1CC1 130882646 573721572 /nfs/dbraw/zinc/72/15/72/573721572.db2.gz SOPXWXUQYULLJH-MNOVXSKESA-N 1 1 194.322 1.328 10 30 ADEEMO C#CCN(CC)C[C@H](C)C[NH2+]C(C)C 130902722 573722026 /nfs/dbraw/zinc/72/20/26/573722026.db2.gz QKJXLTJRIGXVAC-GFCCVEGCSA-N 1 1 196.338 1.576 10 30 ADEEMO CC[C@@H]1CC[N@@H+](CCC=O)C1 108283403 573723240 /nfs/dbraw/zinc/72/32/40/573723240.db2.gz FDLGEWAXWWTEPK-SECBINFHSA-N 1 1 155.241 1.307 10 30 ADEEMO C[C@H]1CCC[N@@H+]1C[C@@H](C)C=O 108283446 573722506 /nfs/dbraw/zinc/72/25/06/573722506.db2.gz UFAZYHMXPAFFAD-BDAKNGLRSA-N 1 1 155.241 1.306 10 30 ADEEMO C=C(CC=O)[C@H]1CC[N@H+](C(C)C)C1 258104735 573722863 /nfs/dbraw/zinc/72/28/63/573722863.db2.gz HGVBJAHJJTXSSG-NSHDSACASA-N 1 1 181.279 1.862 10 30 ADEEMO CC[C@H]1CC[N@@H+](CCC=O)C1 108283407 573722876 /nfs/dbraw/zinc/72/28/76/573722876.db2.gz FDLGEWAXWWTEPK-VIFPVBQESA-N 1 1 155.241 1.307 10 30 ADEEMO C[C@@H](C=O)C[N@H+]1CCC[C@H]1C 108283443 573724704 /nfs/dbraw/zinc/72/47/04/573724704.db2.gz UFAZYHMXPAFFAD-RKDXNWHRSA-N 1 1 155.241 1.306 10 30 ADEEMO C=C(CC=O)C[C@@H]1CCC[N@@H+]1C 258109297 573725717 /nfs/dbraw/zinc/72/57/17/573725717.db2.gz HQSGFEQLMSFNTJ-JTQLQIEISA-N 1 1 167.252 1.616 10 30 ADEEMO C#CCC[N@H+]1[C@H]2CC[C@@H]1CC(=O)C2 69791358 573725760 /nfs/dbraw/zinc/72/57/60/573725760.db2.gz YAKWQGYOSXPAEB-AOOOYVTPSA-N 1 1 177.247 1.206 10 30 ADEEMO C#CCN(CC)[C@H](C)CC[NH2+]C1CC1 130909712 573726337 /nfs/dbraw/zinc/72/63/37/573726337.db2.gz PGRUOLOCAASGKX-LLVKDONJSA-N 1 1 194.322 1.472 10 30 ADEEMO Cc1ccc([C@H]([NH3+])CC#N)c(N)c1C 238487323 573727253 /nfs/dbraw/zinc/72/72/53/573727253.db2.gz IFVYUCWRNJHJII-SNVBAGLBSA-N 1 1 189.262 1.799 10 30 ADEEMO C#CCN(CC)C[C@@H](C)C[NH2+]C1CC1 130908579 573728606 /nfs/dbraw/zinc/72/86/06/573728606.db2.gz WBKNHPVCVOYGCK-NSHDSACASA-N 1 1 194.322 1.330 10 30 ADEEMO C=CCC[C@@H](C)[NH2+]CCc1nc[nH]n1 126881519 573729124 /nfs/dbraw/zinc/72/91/24/573729124.db2.gz QBXLNKHKHDWXII-SECBINFHSA-N 1 1 194.282 1.292 10 30 ADEEMO C=C(CC=O)C[C@H]1CCC[N@@H+]1C 258109299 573729388 /nfs/dbraw/zinc/72/93/88/573729388.db2.gz HQSGFEQLMSFNTJ-SNVBAGLBSA-N 1 1 167.252 1.616 10 30 ADEEMO CO[C@H](C=O)[C@@H]1CCC[N@H+](C(C)C)C1 257852790 573729540 /nfs/dbraw/zinc/72/95/40/573729540.db2.gz NAYNWZXKBOSXPE-GHMZBOCLSA-N 1 1 199.294 1.321 10 30 ADEEMO CO[C@H](C)[C@@H](C)[N@@H+](C)C[C@@H](C)C#N 308426718 573729865 /nfs/dbraw/zinc/72/98/65/573729865.db2.gz ROVFVTYWSPAUMN-IVZWLZJFSA-N 1 1 184.283 1.501 10 30 ADEEMO CO[C@@H](C=O)[C@H]1CCC[N@H+](C(C)C)C1 257852792 573730224 /nfs/dbraw/zinc/73/02/24/573730224.db2.gz NAYNWZXKBOSXPE-QWRGUYRKSA-N 1 1 199.294 1.321 10 30 ADEEMO CS[C@@H]1CC[C@H]([N@@H+](C)CC=O)C1 687965704 573734443 /nfs/dbraw/zinc/73/44/43/573734443.db2.gz PUBXADWIXWVHCU-DTWKUNHWSA-N 1 1 187.308 1.401 10 30 ADEEMO C#CC[N@H+](CC)[C@@H](C)[C@H](C)C[NH2+]CC 130920013 573734137 /nfs/dbraw/zinc/73/41/37/573734137.db2.gz DLNPQECJPGNZGK-NEPJUHHUSA-N 1 1 196.338 1.576 10 30 ADEEMO C#CCN(CC)[C@@H](C)[C@H](C)C[NH2+]CC 130920013 573734141 /nfs/dbraw/zinc/73/41/41/573734141.db2.gz DLNPQECJPGNZGK-NEPJUHHUSA-N 1 1 196.338 1.576 10 30 ADEEMO C[C@H](C=O)C[N@H+]1CCCC1(C)C 108288453 573732663 /nfs/dbraw/zinc/73/26/63/573732663.db2.gz OPQDIOSGIIFBFG-VIFPVBQESA-N 1 1 169.268 1.696 10 30 ADEEMO C#CCN(CC)[C@H]1CC[C@@H]1C[NH2+]CC 130931618 573732802 /nfs/dbraw/zinc/73/28/02/573732802.db2.gz RRVRNVUSTGUSSP-NEPJUHHUSA-N 1 1 194.322 1.330 10 30 ADEEMO CC[C@@H]1CCCCC[N@H+]1CC=O 108288341 573732806 /nfs/dbraw/zinc/73/28/06/573732806.db2.gz ZPMSFAYFGKMKCK-SNVBAGLBSA-N 1 1 169.268 1.840 10 30 ADEEMO CC(C)C[N@@H+](C)CS 258895252 573732914 /nfs/dbraw/zinc/73/29/14/573732914.db2.gz JXXWYEQWRRXNCS-UHFFFAOYSA-N 1 1 133.260 1.462 10 30 ADEEMO CO[C@H](C)[C@@H](C)[N@@H+](C)C[C@H](C)C#N 308426721 573733004 /nfs/dbraw/zinc/73/30/04/573733004.db2.gz ROVFVTYWSPAUMN-OPRDCNLKSA-N 1 1 184.283 1.501 10 30 ADEEMO C#CCN(CC)[C@H](C)CC[NH2+]CC 130924015 573733252 /nfs/dbraw/zinc/73/32/52/573733252.db2.gz WBMWUCZQOHLUAA-LLVKDONJSA-N 1 1 182.311 1.330 10 30 ADEEMO C#CCN(CC)[C@@H](C)CC[NH2+]C(C)C 130923563 573733339 /nfs/dbraw/zinc/73/33/39/573733339.db2.gz ZPOUWYPDNKHPKB-LBPRGKRZSA-N 1 1 196.338 1.718 10 30 ADEEMO C=CC[N@@H+](CC)CC1N=NC(=O)S1 393558021 573733371 /nfs/dbraw/zinc/73/33/71/573733371.db2.gz TVWDWORLWDVOKR-UHFFFAOYSA-N 1 1 199.279 1.252 10 30 ADEEMO C=CC[N@H+](CC)CC1N=NC(=O)S1 393558021 573733375 /nfs/dbraw/zinc/73/33/75/573733375.db2.gz TVWDWORLWDVOKR-UHFFFAOYSA-N 1 1 199.279 1.252 10 30 ADEEMO C=CCc1noc([C@H]([NH3+])CC)n1 393558163 573733503 /nfs/dbraw/zinc/73/35/03/573733503.db2.gz YOVOSIPMBZMBNM-ZCFIWIBFSA-N 1 1 167.212 1.208 10 30 ADEEMO C[C@@H](C=O)C[N@H+]1CCCC1(C)C 108288455 573733544 /nfs/dbraw/zinc/73/35/44/573733544.db2.gz OPQDIOSGIIFBFG-SECBINFHSA-N 1 1 169.268 1.696 10 30 ADEEMO CC[C@H]1CCCCC[N@H+]1CC=O 108288344 573733711 /nfs/dbraw/zinc/73/37/11/573733711.db2.gz ZPMSFAYFGKMKCK-JTQLQIEISA-N 1 1 169.268 1.840 10 30 ADEEMO C#CCN(CC)[C@@H]1CC[C@H]1C[NH2+]CC 130931846 573733725 /nfs/dbraw/zinc/73/37/25/573733725.db2.gz RRVRNVUSTGUSSP-NWDGAFQWSA-N 1 1 194.322 1.330 10 30 ADEEMO C[C@H](C=O)C[N@H+]1CCC(C)(C)C1 108288443 573733797 /nfs/dbraw/zinc/73/37/97/573733797.db2.gz FBFBAYKVXIDFHI-VIFPVBQESA-N 1 1 169.268 1.553 10 30 ADEEMO CS[C@H]1CC[C@@H]([N@@H+](C)CC=O)C1 687965696 573733920 /nfs/dbraw/zinc/73/39/20/573733920.db2.gz PUBXADWIXWVHCU-BDAKNGLRSA-N 1 1 187.308 1.401 10 30 ADEEMO C#CCN(CC)C[C@H](C)C[NH2+]CCC 130922432 573733927 /nfs/dbraw/zinc/73/39/27/573733927.db2.gz BXOILGDLLORMSP-GFCCVEGCSA-N 1 1 196.338 1.577 10 30 ADEEMO C[C@H]1CCCC[N@@H+]1C[C@@H](C)C=O 108288416 573733973 /nfs/dbraw/zinc/73/39/73/573733973.db2.gz VSMZFLIOJONMHR-ZJUUUORDSA-N 1 1 169.268 1.696 10 30 ADEEMO C[C@@H](C=O)C[N@H+]1CCC(C)(C)C1 108288447 573734528 /nfs/dbraw/zinc/73/45/28/573734528.db2.gz FBFBAYKVXIDFHI-SECBINFHSA-N 1 1 169.268 1.553 10 30 ADEEMO C#CCN(CC)[C@H]1CC[C@H]1C[NH2+]CC 130931409 573734323 /nfs/dbraw/zinc/73/43/23/573734323.db2.gz RRVRNVUSTGUSSP-RYUDHWBXSA-N 1 1 194.322 1.330 10 30 ADEEMO CC(C)(C#N)C[NH+]1CCC(F)CC1 689909667 573734594 /nfs/dbraw/zinc/73/45/94/573734594.db2.gz RIUTZUBEOVTXML-UHFFFAOYSA-N 1 1 184.258 1.970 10 30 ADEEMO C#CCN(CC)[C@H](C)[C@H](C)C[NH2+]CC 130919618 573734618 /nfs/dbraw/zinc/73/46/18/573734618.db2.gz DLNPQECJPGNZGK-VXGBXAGGSA-N 1 1 196.338 1.576 10 30 ADEEMO C[C@@H]([NH3+])c1cc(F)c(O)c(C#N)c1 258114787 573735782 /nfs/dbraw/zinc/73/57/82/573735782.db2.gz ZHRAJYFERGEYPT-RXMQYKEDSA-N 1 1 180.182 1.423 10 30 ADEEMO C#CCN(CC)[C@@H]1CC[C@@H]1C[NH2+]CC 130932077 573735933 /nfs/dbraw/zinc/73/59/33/573735933.db2.gz RRVRNVUSTGUSSP-VXGBXAGGSA-N 1 1 194.322 1.330 10 30 ADEEMO CC(C)(C)[C@@H]1CCC[N@H+]1CC=O 108288326 573736864 /nfs/dbraw/zinc/73/68/64/573736864.db2.gz LGXDKSHZUBEIRO-VIFPVBQESA-N 1 1 169.268 1.696 10 30 ADEEMO CCCC[C@@H](C)[N@@H+](C)CC[C@H](N)C#N 308695879 573737838 /nfs/dbraw/zinc/73/78/38/573737838.db2.gz SVYKDYOIPYZUBK-MNOVXSKESA-N 1 1 197.326 1.738 10 30 ADEEMO CCCC[C@H](C)[N@@H+](C)CC[C@@H](N)C#N 308695882 573737972 /nfs/dbraw/zinc/73/79/72/573737972.db2.gz SVYKDYOIPYZUBK-WDEREUQCSA-N 1 1 197.326 1.738 10 30 ADEEMO C[N@@H+](CCC[C@H]1CO1)CCC1CC1 308426944 573738253 /nfs/dbraw/zinc/73/82/53/573738253.db2.gz XNUCMBNQMTVSRE-NSHDSACASA-N 1 1 183.295 1.897 10 30 ADEEMO C[N@@H+]1CC=C(CCS)CC1 258115873 573740947 /nfs/dbraw/zinc/74/09/47/573740947.db2.gz OUDZQIWDEQJVOW-UHFFFAOYSA-N 1 1 157.282 1.568 10 30 ADEEMO C=C(CC=O)[C@H]1CCC[N@H+](C)C1 258102471 573741136 /nfs/dbraw/zinc/74/11/36/573741136.db2.gz HDBHMEIUHMIZLF-JTQLQIEISA-N 1 1 167.252 1.473 10 30 ADEEMO C=C(CC(=O)OC)[C@H]1CCC[N@H+]1C 258102464 573741631 /nfs/dbraw/zinc/74/16/31/573741631.db2.gz HCYOSZHJUHUCDL-SECBINFHSA-N 1 1 183.251 1.200 10 30 ADEEMO C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCCCC#N 126907176 573742092 /nfs/dbraw/zinc/74/20/92/573742092.db2.gz YQNBWHFUVNMAKO-QWRGUYRKSA-N 1 1 195.310 1.349 10 30 ADEEMO CCc1ccsc1C(NC)=[NH+]N 87017566 573743682 /nfs/dbraw/zinc/74/36/82/573743682.db2.gz SCFAIKJNNWLDAN-UHFFFAOYSA-N 1 1 183.280 1.150 10 30 ADEEMO C[N@@H+](CS)CCC1CCOCC1 258901435 573743360 /nfs/dbraw/zinc/74/33/60/573743360.db2.gz KUAWZPRHKQZKRB-UHFFFAOYSA-N 1 1 189.324 1.622 10 30 ADEEMO C[C@@H](CS)C[N@H+]1CCC[C@@H](F)C1 689821377 573743487 /nfs/dbraw/zinc/74/34/87/573743487.db2.gz XOTZXWIBPDGUBT-RKDXNWHRSA-N 1 1 191.315 1.986 10 30 ADEEMO C[C@H](CS)C[N@H+]1CCC[C@@H](F)C1 689821371 573743527 /nfs/dbraw/zinc/74/35/27/573743527.db2.gz XOTZXWIBPDGUBT-DTWKUNHWSA-N 1 1 191.315 1.986 10 30 ADEEMO C[C@H](CS)C[N@H+]1CCC[C@H](F)C1 689821374 573743548 /nfs/dbraw/zinc/74/35/48/573743548.db2.gz XOTZXWIBPDGUBT-IUCAKERBSA-N 1 1 191.315 1.986 10 30 ADEEMO C[C@@H](CS)C[N@H+]1CCC[C@H](F)C1 689821368 573744074 /nfs/dbraw/zinc/74/40/74/573744074.db2.gz XOTZXWIBPDGUBT-BDAKNGLRSA-N 1 1 191.315 1.986 10 30 ADEEMO C[N@@H+](CC=O)CCc1ccc(F)cc1 258903711 573745166 /nfs/dbraw/zinc/74/51/66/573745166.db2.gz OLDXWCJRNKMVAF-UHFFFAOYSA-N 1 1 195.237 1.499 10 30 ADEEMO C[N@H+](CC=O)CCc1ccc(F)cc1 258903711 573745169 /nfs/dbraw/zinc/74/51/69/573745169.db2.gz OLDXWCJRNKMVAF-UHFFFAOYSA-N 1 1 195.237 1.499 10 30 ADEEMO Cc1ccc(C[N@@H+](C)CC=O)cc1C 258903760 573745100 /nfs/dbraw/zinc/74/51/00/573745100.db2.gz OLPULJJABQIMTJ-UHFFFAOYSA-N 1 1 191.274 1.934 10 30 ADEEMO Cc1ccc([C@H](C)[NH2+]CC#CCO)o1 717547772 573745070 /nfs/dbraw/zinc/74/50/70/573745070.db2.gz CEJLQSYYPUIOAX-JTQLQIEISA-N 1 1 193.246 1.234 10 30 ADEEMO Cc1ccc(C[N@H+](C)CC=O)cc1C 258903760 573745096 /nfs/dbraw/zinc/74/50/96/573745096.db2.gz OLPULJJABQIMTJ-UHFFFAOYSA-N 1 1 191.274 1.934 10 30 ADEEMO C[N@H+]1CC[C@@H](CCCS)C1 259176091 573749839 /nfs/dbraw/zinc/74/98/39/573749839.db2.gz QCAGNJIOCVWUPE-MRVPVSSYSA-N 1 1 159.298 1.648 10 30 ADEEMO C=C[C@H](C)[N@H+]1C[C@H](C)C[C@@H]([NH3+])C1 87041951 573746863 /nfs/dbraw/zinc/74/68/63/573746863.db2.gz CCAVRUPTVDYPQM-KXUCPTDWSA-N 1 1 168.284 1.230 10 30 ADEEMO C[C@H]1CC[C@@H](C)C[N@@H+]1CCC=O 84049981 573746957 /nfs/dbraw/zinc/74/69/57/573746957.db2.gz SACNEODZFZFXST-ZJUUUORDSA-N 1 1 169.268 1.696 10 30 ADEEMO CC[N@H+]1CCCN([C@@H](C)CC#N)CC1 108305730 573749877 /nfs/dbraw/zinc/74/98/77/573749877.db2.gz WDBJOYFBINQVOY-NSHDSACASA-N 1 1 195.310 1.316 10 30 ADEEMO CN[C@@H]([C@H]1CC[N@@H+](C)C1)C(C)(C)C#N 259175177 573748834 /nfs/dbraw/zinc/74/88/34/573748834.db2.gz DKRWICFIDPUNTR-UWVGGRQHSA-N 1 1 195.310 1.076 10 30 ADEEMO CC(C)CC[N@@H+]1CCO[C@H](CC#N)C1 259564053 573748844 /nfs/dbraw/zinc/74/88/44/573748844.db2.gz FLFCLEIZRVJLSD-LLVKDONJSA-N 1 1 196.294 1.647 10 30 ADEEMO CC(C)CC[N@H+]1CCO[C@H](CC#N)C1 259564053 573748849 /nfs/dbraw/zinc/74/88/49/573748849.db2.gz FLFCLEIZRVJLSD-LLVKDONJSA-N 1 1 196.294 1.647 10 30 ADEEMO C#CC[C@H](CC)[NH2+]Cc1cn[nH]c1C 126991870 573748934 /nfs/dbraw/zinc/74/89/34/573748934.db2.gz LBKKVJXOXMEDGY-NSHDSACASA-N 1 1 191.278 1.610 10 30 ADEEMO C[C@H]1C[C@@H](C=O)[C@@H](C)[C@@H](C)[N@H+]1C 238497089 573748980 /nfs/dbraw/zinc/74/89/80/573748980.db2.gz COIREINCORXXMU-QEYWKRMJSA-N 1 1 169.268 1.550 10 30 ADEEMO CC(C)CC[N@@H+]1CCO[C@@H](CC#N)C1 259564054 573749620 /nfs/dbraw/zinc/74/96/20/573749620.db2.gz FLFCLEIZRVJLSD-NSHDSACASA-N 1 1 196.294 1.647 10 30 ADEEMO CC(C)CC[N@H+]1CCO[C@@H](CC#N)C1 259564054 573749627 /nfs/dbraw/zinc/74/96/27/573749627.db2.gz FLFCLEIZRVJLSD-NSHDSACASA-N 1 1 196.294 1.647 10 30 ADEEMO CC(C)C[N@H+](CCC#N)C[C@@H]1CO1 43416387 573749652 /nfs/dbraw/zinc/74/96/52/573749652.db2.gz TXGXMZMDVNIZIV-SNVBAGLBSA-N 1 1 182.267 1.257 10 30 ADEEMO CC(C)C[N@@H+](CCC#N)C[C@@H]1CO1 43416387 573749658 /nfs/dbraw/zinc/74/96/58/573749658.db2.gz TXGXMZMDVNIZIV-SNVBAGLBSA-N 1 1 182.267 1.257 10 30 ADEEMO C=C(CCO)[C@H]1CCCC[N@@H+]1C 258116479 573749692 /nfs/dbraw/zinc/74/96/92/573749692.db2.gz HYZDKSXICSTZQI-SNVBAGLBSA-N 1 1 169.268 1.409 10 30 ADEEMO CC(C)[C@@H](C#N)C(=O)[C@H]1CC[N@@H+](C)C1 259181418 573749702 /nfs/dbraw/zinc/74/97/02/573749702.db2.gz QMWRJXAVVDQHFT-VHSXEESVSA-N 1 1 194.278 1.303 10 30 ADEEMO CC(C)C[N@H+](CCC#N)C[C@H]1CO1 43416389 573753157 /nfs/dbraw/zinc/75/31/57/573753157.db2.gz TXGXMZMDVNIZIV-JTQLQIEISA-N 1 1 182.267 1.257 10 30 ADEEMO CC(C)C[N@@H+](CCC#N)C[C@H]1CO1 43416389 573753160 /nfs/dbraw/zinc/75/31/60/573753160.db2.gz TXGXMZMDVNIZIV-JTQLQIEISA-N 1 1 182.267 1.257 10 30 ADEEMO C[C@H]1CC[C@H](C)[N@@H+](CC/C(N)=N/O)C1 84050865 573751754 /nfs/dbraw/zinc/75/17/54/573751754.db2.gz JCTUWGXVKJPLLY-IUCAKERBSA-N 1 1 199.298 1.243 10 30 ADEEMO CN[C@@H]([C@@H]1CC[N@@H+](C)C1)C(C)(C)C#N 259175183 573752181 /nfs/dbraw/zinc/75/21/81/573752181.db2.gz DKRWICFIDPUNTR-ZJUUUORDSA-N 1 1 195.310 1.076 10 30 ADEEMO C[N@@H+](CS)C(C)(C)C 258908953 573752285 /nfs/dbraw/zinc/75/22/85/573752285.db2.gz LXWMCMCHRORMMR-UHFFFAOYSA-N 1 1 133.260 1.604 10 30 ADEEMO CC[C@@H]1CO[C@H](C)C[N@H+]1CC[C@@H]1CO1 308707208 573752401 /nfs/dbraw/zinc/75/24/01/573752401.db2.gz XDDYFNQFCBJXRY-GMTAPVOTSA-N 1 1 199.294 1.275 10 30 ADEEMO CN(CCC#N)CC[C@H]1CC[N@@H+](C)C1 258907332 573752499 /nfs/dbraw/zinc/75/24/99/573752499.db2.gz LSNJYOVVENTCPK-NSHDSACASA-N 1 1 195.310 1.174 10 30 ADEEMO C=C(C[C@@H]1CCCC[N@H+]1C)C(=O)OC 258116531 573752502 /nfs/dbraw/zinc/75/25/02/573752502.db2.gz IACKXZRNNYFFIQ-JTQLQIEISA-N 1 1 197.278 1.590 10 30 ADEEMO C[C@H]1CC[C@@H](C)C[N@@H+]1CC/C(N)=N/O 84050861 573752680 /nfs/dbraw/zinc/75/26/80/573752680.db2.gz JCTUWGXVKJPLLY-BDAKNGLRSA-N 1 1 199.298 1.243 10 30 ADEEMO C/C=C/c1nnc([C@H]([NH3+])CS)o1 238068665 573753065 /nfs/dbraw/zinc/75/30/65/573753065.db2.gz ODNWGUTYQDWGBI-WVSAJJKCSA-N 1 1 185.252 1.032 10 30 ADEEMO C[N@H+]1CC[C@H](CCCS)C1 259176095 573753066 /nfs/dbraw/zinc/75/30/66/573753066.db2.gz QCAGNJIOCVWUPE-QMMMGPOBSA-N 1 1 159.298 1.648 10 30 ADEEMO CC(C)[N@@H+](C)C/C=C/CS 87055184 573757579 /nfs/dbraw/zinc/75/75/79/573757579.db2.gz VGDHIPNFVAOTPI-SNAWJCMRSA-N 1 1 159.298 1.813 10 30 ADEEMO CC[N@@H+](C)C[C@@H](C)CS 87056742 573757611 /nfs/dbraw/zinc/75/76/11/573757611.db2.gz OPACOHVYZZRGEI-SSDOTTSWSA-N 1 1 147.287 1.504 10 30 ADEEMO CC[C@@H]1CCC[N@H+]1CCS 87054029 573757651 /nfs/dbraw/zinc/75/76/51/573757651.db2.gz XEOKMFVGDMHAAO-MRVPVSSYSA-N 1 1 159.298 1.791 10 30 ADEEMO C[C@H]1C[N@@H+](CCS)C[C@@H](C)S1 87053566 573757675 /nfs/dbraw/zinc/75/76/75/573757675.db2.gz QPSXTDBLSPJMSH-OCAPTIKFSA-N 1 1 191.365 1.742 10 30 ADEEMO C[C@@H]1CC[C@@H](C)[N@@H+](CC[C@H](N)C#N)C1 84052601 573757706 /nfs/dbraw/zinc/75/77/06/573757706.db2.gz JSORKEXBETWKIQ-MXWKQRLJSA-N 1 1 195.310 1.348 10 30 ADEEMO C[C@@H](C#N)NCC[C@@H]1CCC[N@@H+](C)C1 258911422 573757729 /nfs/dbraw/zinc/75/77/29/573757729.db2.gz ZALAJXQRHIVEFN-QWRGUYRKSA-N 1 1 195.310 1.220 10 30 ADEEMO CC[N@@H+](C)CCCCS 87056710 573757785 /nfs/dbraw/zinc/75/77/85/573757785.db2.gz UZNRPLCCULHBKC-UHFFFAOYSA-N 1 1 147.287 1.648 10 30 ADEEMO C[N@@H+](CCCCS)C1CC1 87057082 573757841 /nfs/dbraw/zinc/75/78/41/573757841.db2.gz JUEGRRNSEQAEPH-UHFFFAOYSA-N 1 1 159.298 1.791 10 30 ADEEMO CCC[N@@H+](CC)CCS 87057261 573759201 /nfs/dbraw/zinc/75/92/01/573759201.db2.gz OONMLZIDCLTMIJ-UHFFFAOYSA-N 1 1 147.287 1.648 10 30 ADEEMO C[C@@H]1CSCC[N@H+]1CCS 87053111 573757886 /nfs/dbraw/zinc/75/78/86/573757886.db2.gz UOIMMNOAYBVSTH-SSDOTTSWSA-N 1 1 177.338 1.354 10 30 ADEEMO C[C@@H]1CC[C@@H](C)[N@@H+](CC=O)C1 84050097 573758028 /nfs/dbraw/zinc/75/80/28/573758028.db2.gz ZUYFQHJGDFAGIG-RKDXNWHRSA-N 1 1 155.241 1.306 10 30 ADEEMO C[C@@H]1CSCC[N@H+]1CCCS 87053085 573758081 /nfs/dbraw/zinc/75/80/81/573758081.db2.gz XHWDNZVHDHOSHQ-MRVPVSSYSA-N 1 1 191.365 1.744 10 30 ADEEMO CC[C@H](CS)C[N@@H+](C)CC 87056736 573758113 /nfs/dbraw/zinc/75/81/13/573758113.db2.gz ZOEMLZJOYOYWRS-QMMMGPOBSA-N 1 1 161.314 1.894 10 30 ADEEMO C[C@@H]1CCC[N@H+]1CCCS 87054088 573758178 /nfs/dbraw/zinc/75/81/78/573758178.db2.gz FCCHYLAYXWKJKV-MRVPVSSYSA-N 1 1 159.298 1.791 10 30 ADEEMO CCOc1ccc([C@@H]([NH3+])C=O)cc1F 259182703 573759208 /nfs/dbraw/zinc/75/92/08/573759208.db2.gz FIFSCEOWJMQULE-VIFPVBQESA-N 1 1 197.209 1.423 10 30 ADEEMO C[N@@H+](CCC#N)CCCS 87054187 573758269 /nfs/dbraw/zinc/75/82/69/573758269.db2.gz LGKWQMCURBDUCQ-UHFFFAOYSA-N 1 1 158.270 1.152 10 30 ADEEMO C[N@H+](CCC#N)CCCS 87054187 573758274 /nfs/dbraw/zinc/75/82/74/573758274.db2.gz LGKWQMCURBDUCQ-UHFFFAOYSA-N 1 1 158.270 1.152 10 30 ADEEMO C[C@H]1C[C@H]1C[N@@H+](C)CCS 87053362 573758287 /nfs/dbraw/zinc/75/82/87/573758287.db2.gz PTGIDDYPZBXVAU-YUMQZZPRSA-N 1 1 159.298 1.504 10 30 ADEEMO CCC[N@@H+](CCS)C1CC1 87057318 573759897 /nfs/dbraw/zinc/75/98/97/573759897.db2.gz YIMFNKLAPPGDJW-UHFFFAOYSA-N 1 1 159.298 1.791 10 30 ADEEMO CC[N@@H+](C)CC1(CS)CC1 87056761 573758351 /nfs/dbraw/zinc/75/83/51/573758351.db2.gz JTCPJJZLWDDINX-UHFFFAOYSA-N 1 1 159.298 1.648 10 30 ADEEMO C[C@@H]1C[N@H+](C/C=C/CS)CCO1 87054971 573758433 /nfs/dbraw/zinc/75/84/33/573758433.db2.gz BEUIVFMWWGKXEW-GKQMSVHHSA-N 1 1 187.308 1.193 10 30 ADEEMO C[C@@H]1C[N@@H+](C/C=C/CS)CCO1 87054971 573758439 /nfs/dbraw/zinc/75/84/39/573758439.db2.gz BEUIVFMWWGKXEW-GKQMSVHHSA-N 1 1 187.308 1.193 10 30 ADEEMO C[C@H]1C[N@@H+](C[C@@H](C)CS)CCO1 87054953 573758539 /nfs/dbraw/zinc/75/85/39/573758539.db2.gz WVBCCPPPFJKDBO-BDAKNGLRSA-N 1 1 189.324 1.273 10 30 ADEEMO C[C@H]1CCCC[N@H+]1CCS 87054508 573758561 /nfs/dbraw/zinc/75/85/61/573758561.db2.gz LBNWNWDZWHGACD-QMMMGPOBSA-N 1 1 159.298 1.791 10 30 ADEEMO C[C@@H]1CC[C@@H](C)[N@@H+](CC/C(N)=N/O)C1 84050869 573758608 /nfs/dbraw/zinc/75/86/08/573758608.db2.gz JCTUWGXVKJPLLY-RKDXNWHRSA-N 1 1 199.298 1.243 10 30 ADEEMO C[C@H]1CC[C@@H](C)C[N@@H+]1[C@@H](C)/C(N)=N/O 84050837 573758878 /nfs/dbraw/zinc/75/88/78/573758878.db2.gz NJSBGRXGVILWMF-VGMNWLOBSA-N 1 1 199.298 1.242 10 30 ADEEMO C[C@H](C#N)N(C)CC[C@@H]1CC[N@@H+](C)C1 258911241 573758842 /nfs/dbraw/zinc/75/88/42/573758842.db2.gz YWDIUCYGDUNXSN-MNOVXSKESA-N 1 1 195.310 1.172 10 30 ADEEMO C[C@@H]1CCCC[N@H+]1CCS 87054506 573758952 /nfs/dbraw/zinc/75/89/52/573758952.db2.gz LBNWNWDZWHGACD-MRVPVSSYSA-N 1 1 159.298 1.791 10 30 ADEEMO C[NH2+][C@H](CC#N)c1cccc(F)c1 259564918 573758955 /nfs/dbraw/zinc/75/89/55/573758955.db2.gz WKQLEIORBLSNDP-SNVBAGLBSA-N 1 1 178.210 2.000 10 30 ADEEMO CCO[C@]1(C=O)CCC[N@@H+](CC)CC1 257866102 573759014 /nfs/dbraw/zinc/75/90/14/573759014.db2.gz POBMJESCDPOREJ-LLVKDONJSA-N 1 1 199.294 1.466 10 30 ADEEMO CC[N@@H+](CCS)C(C)C 87056843 573759021 /nfs/dbraw/zinc/75/90/21/573759021.db2.gz TZPSSVYGMDFNLR-UHFFFAOYSA-N 1 1 147.287 1.647 10 30 ADEEMO C[C@@H](CS)C[N@@H+](C)C1CC1 87057117 573759232 /nfs/dbraw/zinc/75/92/32/573759232.db2.gz FFHWUFVDNCHODN-SSDOTTSWSA-N 1 1 159.298 1.647 10 30 ADEEMO C[C@@H](CS)C[N@H+]1CCO[C@H](C)C1 87054950 573759241 /nfs/dbraw/zinc/75/92/41/573759241.db2.gz WVBCCPPPFJKDBO-RKDXNWHRSA-N 1 1 189.324 1.273 10 30 ADEEMO CC(C)[N@@H+](C)CCS 87055153 573759254 /nfs/dbraw/zinc/75/92/54/573759254.db2.gz QPQXPCDGUAVXFP-UHFFFAOYSA-N 1 1 133.260 1.256 10 30 ADEEMO C[C@@H]1C[N@@H+](CCCS)CCO1 87054906 573759266 /nfs/dbraw/zinc/75/92/66/573759266.db2.gz DIZOAVOPXLBUAG-MRVPVSSYSA-N 1 1 175.297 1.027 10 30 ADEEMO CCOc1ccc([C@H]([NH3+])C=O)cc1F 259182701 573759286 /nfs/dbraw/zinc/75/92/86/573759286.db2.gz FIFSCEOWJMQULE-SECBINFHSA-N 1 1 197.209 1.423 10 30 ADEEMO OCC[C@@H]1CCCC[N@H+]1CCS 87055564 573759322 /nfs/dbraw/zinc/75/93/22/573759322.db2.gz CQYRQIZRCZQLBB-VIFPVBQESA-N 1 1 189.324 1.153 10 30 ADEEMO CC(C)(CS)C[N@H+]1CC[C@@H](O)C1 87051652 573759382 /nfs/dbraw/zinc/75/93/82/573759382.db2.gz ORTDIGYKZWXRGO-MRVPVSSYSA-N 1 1 189.324 1.009 10 30 ADEEMO CC[N@@H+](C)CCCS 87056713 573759486 /nfs/dbraw/zinc/75/94/86/573759486.db2.gz MSWNAJYSKBOMLC-UHFFFAOYSA-N 1 1 133.260 1.258 10 30 ADEEMO C[C@@H]1C[C@@H]1C[N@@H+](C)CCS 87053352 573759727 /nfs/dbraw/zinc/75/97/27/573759727.db2.gz PTGIDDYPZBXVAU-HTQZYQBOSA-N 1 1 159.298 1.504 10 30 ADEEMO CC(C)[N@H+](C)C[C@@H](C)CS 87055166 573759739 /nfs/dbraw/zinc/75/97/39/573759739.db2.gz YHQDRDROTCSMHK-MRVPVSSYSA-N 1 1 161.314 1.893 10 30 ADEEMO C[C@H]1CSCC[N@H+]1CCS 87053115 573759809 /nfs/dbraw/zinc/75/98/09/573759809.db2.gz UOIMMNOAYBVSTH-ZETCQYMHSA-N 1 1 177.338 1.354 10 30 ADEEMO C[C@H]1CSCC[N@H+]1CCCS 87053087 573759837 /nfs/dbraw/zinc/75/98/37/573759837.db2.gz XHWDNZVHDHOSHQ-QMMMGPOBSA-N 1 1 191.365 1.744 10 30 ADEEMO C[N@@H+](CCS)C[C@@H]1CCCCO1 87072011 573760744 /nfs/dbraw/zinc/76/07/44/573760744.db2.gz WJVWDPKBYJDYMX-VIFPVBQESA-N 1 1 189.324 1.417 10 30 ADEEMO C[N@@H+](CCCS)CC1CC1 87059358 573760768 /nfs/dbraw/zinc/76/07/68/573760768.db2.gz ZOCLJVGBIGOJFP-UHFFFAOYSA-N 1 1 159.298 1.648 10 30 ADEEMO CCC[N@@H+](C)CCCS 87057358 573760796 /nfs/dbraw/zinc/76/07/96/573760796.db2.gz XYSVFGPROCVFHZ-UHFFFAOYSA-N 1 1 147.287 1.648 10 30 ADEEMO SC/C=C/C[N@H+]1CCCOCC1 87060382 573760819 /nfs/dbraw/zinc/76/08/19/573760819.db2.gz JHKPXOUQPCOCNY-OWOJBTEDSA-N 1 1 187.308 1.195 10 30 ADEEMO C[C@H](C#N)C[N@H+](C)CCS 87072484 573760859 /nfs/dbraw/zinc/76/08/59/573760859.db2.gz GJHYXQLCHSIJDO-SSDOTTSWSA-N 1 1 158.270 1.008 10 30 ADEEMO C[C@H](C#N)C[N@@H+](C)CCS 87072484 573760861 /nfs/dbraw/zinc/76/08/61/573760861.db2.gz GJHYXQLCHSIJDO-SSDOTTSWSA-N 1 1 158.270 1.008 10 30 ADEEMO CC[C@H](C#N)N[C@@H](C)C[N@@H+](C)C(C)C 308709204 573765125 /nfs/dbraw/zinc/76/51/25/573765125.db2.gz XSTPTKZASBPCQI-WDEREUQCSA-N 1 1 197.326 1.607 10 30 ADEEMO C[C@H](C#N)N(C)CC[C@H]1CC[N@@H+](C)C1 258911240 573760872 /nfs/dbraw/zinc/76/08/72/573760872.db2.gz YWDIUCYGDUNXSN-GHMZBOCLSA-N 1 1 195.310 1.172 10 30 ADEEMO C[C@@H]1C[N@@H+](CCCS)[C@H](C)CO1 87058052 573760904 /nfs/dbraw/zinc/76/09/04/573760904.db2.gz YPKWJFHPZOJLAP-RKDXNWHRSA-N 1 1 189.324 1.416 10 30 ADEEMO N#C[C@H]1C[NH2+][C@@H](c2ccco2)C1 108332004 573761046 /nfs/dbraw/zinc/76/10/46/573761046.db2.gz RDHJNGLOOTVVHF-JGVFFNPUSA-N 1 1 162.192 1.454 10 30 ADEEMO C[N@@H+](CCS)[C@H]1CCSC1 87057631 573761064 /nfs/dbraw/zinc/76/10/64/573761064.db2.gz KVTSFSJLEJTZQR-ZETCQYMHSA-N 1 1 177.338 1.354 10 30 ADEEMO C[C@@H](CC#N)[N@H+](C)CCS 87060180 573761105 /nfs/dbraw/zinc/76/11/05/573761105.db2.gz HODLUPLBJQPQDZ-ZETCQYMHSA-N 1 1 158.270 1.150 10 30 ADEEMO C[C@@H](CC#N)[N@@H+](C)CCS 87060180 573761110 /nfs/dbraw/zinc/76/11/10/573761110.db2.gz HODLUPLBJQPQDZ-ZETCQYMHSA-N 1 1 158.270 1.150 10 30 ADEEMO CCC[C@@H](CS)C[N@@H+](C)CCO 87059308 573761159 /nfs/dbraw/zinc/76/11/59/573761159.db2.gz ZQIBJAZIKUPSJI-SECBINFHSA-N 1 1 191.340 1.257 10 30 ADEEMO C[C@@H]1COCC[N@H+]1CCCS 87057966 573761189 /nfs/dbraw/zinc/76/11/89/573761189.db2.gz IVEASQLYEAASBT-MRVPVSSYSA-N 1 1 175.297 1.027 10 30 ADEEMO C[C@@H]1C[N@@H+](CCS)CCCO1 87060336 573761281 /nfs/dbraw/zinc/76/12/81/573761281.db2.gz MFCLWUXNWADENW-MRVPVSSYSA-N 1 1 175.297 1.027 10 30 ADEEMO C[N@@H+](CCS)Cc1ccoc1 87073411 573761452 /nfs/dbraw/zinc/76/14/52/573761452.db2.gz OQKOOHGZDLVNMX-UHFFFAOYSA-N 1 1 171.265 1.641 10 30 ADEEMO C[C@@H](C#N)C[N@H+](C)CCS 87072486 573761483 /nfs/dbraw/zinc/76/14/83/573761483.db2.gz GJHYXQLCHSIJDO-ZETCQYMHSA-N 1 1 158.270 1.008 10 30 ADEEMO C[C@@H](C#N)C[N@@H+](C)CCS 87072486 573761488 /nfs/dbraw/zinc/76/14/88/573761488.db2.gz GJHYXQLCHSIJDO-ZETCQYMHSA-N 1 1 158.270 1.008 10 30 ADEEMO C[C@H]1CC[N@@H+](CCS)C1 87059514 573761503 /nfs/dbraw/zinc/76/15/03/573761503.db2.gz MQKXRTCEQOOJKP-ZETCQYMHSA-N 1 1 145.271 1.258 10 30 ADEEMO C[C@@H]1C[N@H+](CCCS)C[C@@H]1C 87076871 573761528 /nfs/dbraw/zinc/76/15/28/573761528.db2.gz JDWUTDRKLOZERH-DTORHVGOSA-N 1 1 173.325 1.894 10 30 ADEEMO CC(C)C[N@@H+](C)CCCS 87057412 573761711 /nfs/dbraw/zinc/76/17/11/573761711.db2.gz GICKEAKJVOOEFC-UHFFFAOYSA-N 1 1 161.314 1.894 10 30 ADEEMO C[C@@H](CS)C[N@H+]1CCOC[C@H]1C 87058011 573761757 /nfs/dbraw/zinc/76/17/57/573761757.db2.gz CYZFLINDQJXXBD-RKDXNWHRSA-N 1 1 189.324 1.273 10 30 ADEEMO C[C@H]1C[N@@H+](CCCS)CCCO1 87060327 573761790 /nfs/dbraw/zinc/76/17/90/573761790.db2.gz CBCZBSSYPHIEBL-VIFPVBQESA-N 1 1 189.324 1.417 10 30 ADEEMO C[C@H](CS)C[N@H+]1CCCOCC1 87060374 573761802 /nfs/dbraw/zinc/76/18/02/573761802.db2.gz REUITZNXSHBVFK-VIFPVBQESA-N 1 1 189.324 1.275 10 30 ADEEMO SCC[N@H+]1CCCSCC1 87075735 573761825 /nfs/dbraw/zinc/76/18/25/573761825.db2.gz ZHNBJQHXEQQJDE-UHFFFAOYSA-N 1 1 177.338 1.355 10 30 ADEEMO C[N@@H+](CS)C1CCCC1 258919602 573761836 /nfs/dbraw/zinc/76/18/36/573761836.db2.gz NLEYEQOCDODLFA-UHFFFAOYSA-N 1 1 145.271 1.748 10 30 ADEEMO CC[C@@H](C)C[N@@H+](C)CCS 87057505 573761943 /nfs/dbraw/zinc/76/19/43/573761943.db2.gz FCKIYNBVOZVRQC-MRVPVSSYSA-N 1 1 161.314 1.894 10 30 ADEEMO C=CC[C@H]1C(=O)CC[C@@H]2CCC[N@@H+]21 238090795 573761948 /nfs/dbraw/zinc/76/19/48/573761948.db2.gz CAVCLXRPBBSQCE-UWVGGRQHSA-N 1 1 179.263 1.758 10 30 ADEEMO CC(C)[N@H+]1CCC[C@H](C#CC[NH3+])C1 258123176 573761952 /nfs/dbraw/zinc/76/19/52/573761952.db2.gz INBGRMNMSUVJJI-NSHDSACASA-N 1 1 180.295 1.069 10 30 ADEEMO CC[C@H]1CO[C@@H](C)C[N@H+]1CCS 87075003 573761985 /nfs/dbraw/zinc/76/19/85/573761985.db2.gz OVLFTZVZWIVQLY-IUCAKERBSA-N 1 1 189.324 1.416 10 30 ADEEMO C[C@H]1C[N@@H+](CCCS)[C@H](C)CO1 87058054 573762095 /nfs/dbraw/zinc/76/20/95/573762095.db2.gz YPKWJFHPZOJLAP-BDAKNGLRSA-N 1 1 189.324 1.416 10 30 ADEEMO C[N@@H+](CC=O)CCc1cccc(F)c1 258930745 573762160 /nfs/dbraw/zinc/76/21/60/573762160.db2.gz RRNZKLSFBXPQBT-UHFFFAOYSA-N 1 1 195.237 1.499 10 30 ADEEMO C[C@@H](C1CC1)[N@@H+](C)CCS 87058293 573763582 /nfs/dbraw/zinc/76/35/82/573763582.db2.gz FPGPWJRURLEIOT-ZETCQYMHSA-N 1 1 159.298 1.647 10 30 ADEEMO C[N@H+](CC=O)CCc1cccc(F)c1 258930745 573762167 /nfs/dbraw/zinc/76/21/67/573762167.db2.gz RRNZKLSFBXPQBT-UHFFFAOYSA-N 1 1 195.237 1.499 10 30 ADEEMO N#CC1(CNc2cc[nH+]cc2)COC1 258930399 573762226 /nfs/dbraw/zinc/76/22/26/573762226.db2.gz HSRQEAFIXRBPEY-UHFFFAOYSA-N 1 1 189.218 1.034 10 30 ADEEMO SCC[N@H+]1CCO[C@@H]2CCC[C@H]21 87073050 573762240 /nfs/dbraw/zinc/76/22/40/573762240.db2.gz MNUMXOFEFOQGEC-RKDXNWHRSA-N 1 1 187.308 1.170 10 30 ADEEMO SCC[N@H+]1CCO[C@H]2CCC[C@H]21 87073053 573762303 /nfs/dbraw/zinc/76/23/03/573762303.db2.gz MNUMXOFEFOQGEC-BDAKNGLRSA-N 1 1 187.308 1.170 10 30 ADEEMO CC[C@H]1CO[C@H](C)C[N@H+]1CCS 87074999 573762355 /nfs/dbraw/zinc/76/23/55/573762355.db2.gz OVLFTZVZWIVQLY-BDAKNGLRSA-N 1 1 189.324 1.416 10 30 ADEEMO SCC[N@H+]1CCO[C@@H]2CCC[C@@H]21 87073051 573762375 /nfs/dbraw/zinc/76/23/75/573762375.db2.gz MNUMXOFEFOQGEC-DTWKUNHWSA-N 1 1 187.308 1.170 10 30 ADEEMO C=CC[C@H]1C(=O)CC[C@H]2CCC[N@H+]12 238090759 573762453 /nfs/dbraw/zinc/76/24/53/573762453.db2.gz CAVCLXRPBBSQCE-ZJUUUORDSA-N 1 1 179.263 1.758 10 30 ADEEMO C[C@H]1C[N@@H+](CCS)CCCO1 87060337 573762495 /nfs/dbraw/zinc/76/24/95/573762495.db2.gz MFCLWUXNWADENW-QMMMGPOBSA-N 1 1 175.297 1.027 10 30 ADEEMO CC(C)[C@H](CS)C[N@@H+](C)CCO 87059343 573762508 /nfs/dbraw/zinc/76/25/08/573762508.db2.gz MMRZUGXROQLRCV-VIFPVBQESA-N 1 1 191.340 1.113 10 30 ADEEMO CC1(C)COCC[N@H+]1CCCS 87074279 573762596 /nfs/dbraw/zinc/76/25/96/573762596.db2.gz NTXAUFSJWPKKSF-UHFFFAOYSA-N 1 1 189.324 1.417 10 30 ADEEMO C[C@H]1C[N@@H+](CCS)CC(C)(C)O1 87073710 573763605 /nfs/dbraw/zinc/76/36/05/573763605.db2.gz RKNUBRLRXONEAC-QMMMGPOBSA-N 1 1 189.324 1.416 10 30 ADEEMO CC[C@H](C)C[N@@H+](C)CCS 87057507 573762951 /nfs/dbraw/zinc/76/29/51/573762951.db2.gz FCKIYNBVOZVRQC-QMMMGPOBSA-N 1 1 161.314 1.894 10 30 ADEEMO C[C@H]1CC[N@@H+](C/C=C/CS)C1 87059559 573763130 /nfs/dbraw/zinc/76/31/30/573763130.db2.gz NYPQTDXYVXKJHE-HPOULIHZSA-N 1 1 171.309 1.814 10 30 ADEEMO CC1(C)C[N@@H+](CCCS)CCO1 87058779 573763149 /nfs/dbraw/zinc/76/31/49/573763149.db2.gz VYRKKHQRBUTHIP-UHFFFAOYSA-N 1 1 189.324 1.417 10 30 ADEEMO C[C@@H](CS)C[N@H+]1CCCOCC1 87060375 573763169 /nfs/dbraw/zinc/76/31/69/573763169.db2.gz REUITZNXSHBVFK-SECBINFHSA-N 1 1 189.324 1.275 10 30 ADEEMO C[N@@H+](CCCS)[C@H]1CCSC1 87057615 573763227 /nfs/dbraw/zinc/76/32/27/573763227.db2.gz LRKARBPDNDEHDS-QMMMGPOBSA-N 1 1 191.365 1.744 10 30 ADEEMO C[C@@H]1C[N@@H+](CCS)[C@H](C)CO1 87058072 573763494 /nfs/dbraw/zinc/76/34/94/573763494.db2.gz MUNZTHYMZXIXQL-HTQZYQBOSA-N 1 1 175.297 1.025 10 30 ADEEMO C[N@@H+](CCS)C[C@@H]1CCCO1 87073264 573763323 /nfs/dbraw/zinc/76/33/23/573763323.db2.gz JOPOWNGZZFDPPE-QMMMGPOBSA-N 1 1 175.297 1.027 10 30 ADEEMO SCCC[N@H+]1CCCOCC1 87060360 573763471 /nfs/dbraw/zinc/76/34/71/573763471.db2.gz ZQROFWXSRKWDIA-UHFFFAOYSA-N 1 1 175.297 1.029 10 30 ADEEMO C#CC[N@H+](C)CC1(COC)CCC1 308434742 573766925 /nfs/dbraw/zinc/76/69/25/573766925.db2.gz VMKJZSDZOIFFPF-UHFFFAOYSA-N 1 1 181.279 1.368 10 30 ADEEMO C[C@@H]1CC[N@@H+](CCCS)C1 87059490 573764405 /nfs/dbraw/zinc/76/44/05/573764405.db2.gz HYMVUNJWUUJEIH-MRVPVSSYSA-N 1 1 159.298 1.648 10 30 ADEEMO C[N@@H+](CCS)C[C@H]1CCCO1 87073266 573764466 /nfs/dbraw/zinc/76/44/66/573764466.db2.gz JOPOWNGZZFDPPE-MRVPVSSYSA-N 1 1 175.297 1.027 10 30 ADEEMO CCC[N@@H+](C)C[C@@H](C)CS 87057383 573764511 /nfs/dbraw/zinc/76/45/11/573764511.db2.gz BCUHUIJDABJXSQ-MRVPVSSYSA-N 1 1 161.314 1.894 10 30 ADEEMO C[C@H]1COCC[N@H+]1CCCS 87057968 573764675 /nfs/dbraw/zinc/76/46/75/573764675.db2.gz IVEASQLYEAASBT-QMMMGPOBSA-N 1 1 175.297 1.027 10 30 ADEEMO N#C[C@@H]1C[NH2+][C@H](c2ccco2)C1 108331997 573764682 /nfs/dbraw/zinc/76/46/82/573764682.db2.gz RDHJNGLOOTVVHF-SFYZADRCSA-N 1 1 162.192 1.454 10 30 ADEEMO C[C@@H](CS)C[N@H+]1CCC[C@H](O)C1 87074667 573764709 /nfs/dbraw/zinc/76/47/09/573764709.db2.gz BWUGSHMCSKEPNQ-BDAKNGLRSA-N 1 1 189.324 1.009 10 30 ADEEMO CC1(C)C[N@@H+](CCS)CCO1 87058792 573764724 /nfs/dbraw/zinc/76/47/24/573764724.db2.gz UHVKROYDSPVCGV-UHFFFAOYSA-N 1 1 175.297 1.027 10 30 ADEEMO CC(C)[N@H+]1CCC[C@@H](C#CC[NH3+])C1 258123174 573764727 /nfs/dbraw/zinc/76/47/27/573764727.db2.gz INBGRMNMSUVJJI-LLVKDONJSA-N 1 1 180.295 1.069 10 30 ADEEMO CC[C@@H](C#N)N[C@H](C)C[N@@H+](C)C(C)C 308709200 573764767 /nfs/dbraw/zinc/76/47/67/573764767.db2.gz XSTPTKZASBPCQI-MNOVXSKESA-N 1 1 197.326 1.607 10 30 ADEEMO N#C[C@@H]1C[NH2+][C@@H](c2ccco2)C1 108331999 573764810 /nfs/dbraw/zinc/76/48/10/573764810.db2.gz RDHJNGLOOTVVHF-HTQZYQBOSA-N 1 1 162.192 1.454 10 30 ADEEMO C[N@@H+](CCS)CC1CC1 87059373 573764897 /nfs/dbraw/zinc/76/48/97/573764897.db2.gz NIFJIDHUQDWASK-UHFFFAOYSA-N 1 1 145.271 1.258 10 30 ADEEMO CC[C@@H](C#N)N[C@@H](C)C[N@@H+](C)C(C)C 308709201 573764898 /nfs/dbraw/zinc/76/48/98/573764898.db2.gz XSTPTKZASBPCQI-QWRGUYRKSA-N 1 1 197.326 1.607 10 30 ADEEMO CC1(C)CCC[N@H+]1CCS 87060412 573764909 /nfs/dbraw/zinc/76/49/09/573764909.db2.gz CUKLJPLCGHASNK-UHFFFAOYSA-N 1 1 159.298 1.791 10 30 ADEEMO C[N@@H+](CCS)Cc1ccco1 87057740 573764971 /nfs/dbraw/zinc/76/49/71/573764971.db2.gz PWWPUIMCMCRBBP-UHFFFAOYSA-N 1 1 171.265 1.641 10 30 ADEEMO C[N@@H+](CCC#N)[C@H]1CCCCC[C@@H]1O 84082479 573765067 /nfs/dbraw/zinc/76/50/67/573765067.db2.gz CCMRBKHPXRUJMC-QWRGUYRKSA-N 1 1 196.294 1.525 10 30 ADEEMO CC[C@@H]1CO[C@@H](C)C[N@H+]1CCS 87075001 573765116 /nfs/dbraw/zinc/76/51/16/573765116.db2.gz OVLFTZVZWIVQLY-DTWKUNHWSA-N 1 1 189.324 1.416 10 30 ADEEMO C[N@@H+](CCS)CC(C)(C)C 87074813 573765141 /nfs/dbraw/zinc/76/51/41/573765141.db2.gz KMPJQETYNKTTBR-UHFFFAOYSA-N 1 1 161.314 1.894 10 30 ADEEMO C[C@@H]1CC[N@@H+](C/C=C/CS)C1 87059557 573765165 /nfs/dbraw/zinc/76/51/65/573765165.db2.gz NYPQTDXYVXKJHE-GKQMSVHHSA-N 1 1 171.309 1.814 10 30 ADEEMO CN(CC1(C#N)CC1)c1cc[nH+]cc1 258920813 573765230 /nfs/dbraw/zinc/76/52/30/573765230.db2.gz NGNHCGKNRXGWFS-UHFFFAOYSA-N 1 1 187.246 1.822 10 30 ADEEMO C[N@@H+](CCS)C1CCOCC1 87058840 573765253 /nfs/dbraw/zinc/76/52/53/573765253.db2.gz QGTTXHSHKXFIOE-UHFFFAOYSA-N 1 1 175.297 1.027 10 30 ADEEMO CC[C@H]1C[N@@H+](CCS)CCO1 87058144 573765277 /nfs/dbraw/zinc/76/52/77/573765277.db2.gz YIWCYVMPFJDIOS-QMMMGPOBSA-N 1 1 175.297 1.027 10 30 ADEEMO SCCC[N@H+]1CCCSCC1 87075723 573765300 /nfs/dbraw/zinc/76/53/00/573765300.db2.gz YSWCGFVHEVMKGJ-UHFFFAOYSA-N 1 1 191.365 1.745 10 30 ADEEMO CC[C@H](C#N)N[C@H](C)C[N@@H+](C)C(C)C 308709197 573765304 /nfs/dbraw/zinc/76/53/04/573765304.db2.gz XSTPTKZASBPCQI-GHMZBOCLSA-N 1 1 197.326 1.607 10 30 ADEEMO C[C@H]1CC[N@H+](C[C@@H](C)CS)C1 87059537 573765354 /nfs/dbraw/zinc/76/53/54/573765354.db2.gz BAJGHDPJNIQOAG-DTWKUNHWSA-N 1 1 173.325 1.894 10 30 ADEEMO C[N@@H+](CCCS)[C@@H]1CCSC1 87057613 573765375 /nfs/dbraw/zinc/76/53/75/573765375.db2.gz LRKARBPDNDEHDS-MRVPVSSYSA-N 1 1 191.365 1.744 10 30 ADEEMO CC(C)[C@H](C)[N@@H+](C)CCS 87058725 573765383 /nfs/dbraw/zinc/76/53/83/573765383.db2.gz UDMBWXBLFVWFDH-QMMMGPOBSA-N 1 1 161.314 1.893 10 30 ADEEMO C[C@@H]1C[N@H+](CCS)C[C@@H]1C 87076898 573765531 /nfs/dbraw/zinc/76/55/31/573765531.db2.gz SJVGTCPAALISIG-OCAPTIKFSA-N 1 1 159.298 1.504 10 30 ADEEMO CC[C@@H]1C[N@@H+](CCS)CCO1 87058142 573765616 /nfs/dbraw/zinc/76/56/16/573765616.db2.gz YIWCYVMPFJDIOS-MRVPVSSYSA-N 1 1 175.297 1.027 10 30 ADEEMO C[C@@H]1C[N@@H+](CCCS)CCCO1 87060326 573766871 /nfs/dbraw/zinc/76/68/71/573766871.db2.gz CBCZBSSYPHIEBL-SECBINFHSA-N 1 1 189.324 1.417 10 30 ADEEMO C[C@H](CC#N)[N@H+](C)CCS 87060182 573765669 /nfs/dbraw/zinc/76/56/69/573765669.db2.gz HODLUPLBJQPQDZ-SSDOTTSWSA-N 1 1 158.270 1.150 10 30 ADEEMO C[C@H](CC#N)[N@@H+](C)CCS 87060182 573765674 /nfs/dbraw/zinc/76/56/74/573765674.db2.gz HODLUPLBJQPQDZ-SSDOTTSWSA-N 1 1 158.270 1.150 10 30 ADEEMO C[C@H](CS)C[N@@H+](C)C[C@@H](C)C#N 87072505 573765684 /nfs/dbraw/zinc/76/56/84/573765684.db2.gz LLNKRMDPKFFOGS-IUCAKERBSA-N 1 1 186.324 1.644 10 30 ADEEMO C[C@@H](CS)C[N@H+]1CC[C@@H](C)C1 87059535 573765698 /nfs/dbraw/zinc/76/56/98/573765698.db2.gz BAJGHDPJNIQOAG-RKDXNWHRSA-N 1 1 173.325 1.894 10 30 ADEEMO COCC[N@@H+](CCS)CC(C)C 87072160 573765734 /nfs/dbraw/zinc/76/57/34/573765734.db2.gz HBVJFFZLQXJEKL-UHFFFAOYSA-N 1 1 191.340 1.521 10 30 ADEEMO C[C@H](CS)C[N@H+]1CCC[C@H](O)C1 87074666 573765756 /nfs/dbraw/zinc/76/57/56/573765756.db2.gz BWUGSHMCSKEPNQ-IUCAKERBSA-N 1 1 189.324 1.009 10 30 ADEEMO CC[N@H+](CCS)CCC#N 87073870 573765819 /nfs/dbraw/zinc/76/58/19/573765819.db2.gz LUAFQQQWVRZVLO-UHFFFAOYSA-N 1 1 158.270 1.152 10 30 ADEEMO CC[N@@H+](CCS)CCC#N 87073870 573765824 /nfs/dbraw/zinc/76/58/24/573765824.db2.gz LUAFQQQWVRZVLO-UHFFFAOYSA-N 1 1 158.270 1.152 10 30 ADEEMO C[N@@H+](CCOCC1CC1)CC[C@H]1CO1 308712523 573766902 /nfs/dbraw/zinc/76/69/02/573766902.db2.gz ZNRBOFRMZHUSJH-NSHDSACASA-N 1 1 199.294 1.134 10 30 ADEEMO SC/C=C/C[N@@H+]1C[C@@H]2CC[C@H](C1)O2 87077016 573766003 /nfs/dbraw/zinc/76/60/03/573766003.db2.gz XPUZCORRLJUEPC-LHPPFPPOSA-N 1 1 199.319 1.336 10 30 ADEEMO SC/C=C/C[N@H+]1C[C@@H]2CC[C@H](C1)O2 87077016 573766009 /nfs/dbraw/zinc/76/60/09/573766009.db2.gz XPUZCORRLJUEPC-LHPPFPPOSA-N 1 1 199.319 1.336 10 30 ADEEMO C[C@H]1CC[N@@H+](CCCS)C1 87059492 573766075 /nfs/dbraw/zinc/76/60/75/573766075.db2.gz HYMVUNJWUUJEIH-QMMMGPOBSA-N 1 1 159.298 1.648 10 30 ADEEMO CC[C@@H]1CO[C@H](C)C[N@H+]1CCS 87074997 573766148 /nfs/dbraw/zinc/76/61/48/573766148.db2.gz OVLFTZVZWIVQLY-RKDXNWHRSA-N 1 1 189.324 1.416 10 30 ADEEMO C[C@H]1COCC[N@@H+]1C/C=C/CS 87058036 573766237 /nfs/dbraw/zinc/76/62/37/573766237.db2.gz XYQJDSPZPADNBI-HPOULIHZSA-N 1 1 187.308 1.193 10 30 ADEEMO C[C@H]1COCC[N@H+]1C/C=C/CS 87058036 573766241 /nfs/dbraw/zinc/76/62/41/573766241.db2.gz XYQJDSPZPADNBI-HPOULIHZSA-N 1 1 187.308 1.193 10 30 ADEEMO C[N@@H+](CCS)[C@@H]1CCSC1 87057630 573766259 /nfs/dbraw/zinc/76/62/59/573766259.db2.gz KVTSFSJLEJTZQR-SSDOTTSWSA-N 1 1 177.338 1.354 10 30 ADEEMO c1[nH+]c2c(n1C[C@@H]1CO1)CCCC2 76093913 573766272 /nfs/dbraw/zinc/76/62/72/573766272.db2.gz RTWUTPDIMZKPCR-MRVPVSSYSA-N 1 1 178.235 1.161 10 30 ADEEMO SCCC[N@H+]1C[C@@H]2CC[C@H](C1)O2 87076979 573766273 /nfs/dbraw/zinc/76/62/73/573766273.db2.gz WPNPHZGTBIUAGC-DTORHVGOSA-N 1 1 187.308 1.170 10 30 ADEEMO C[C@@H]1C[N@@H+](CCS)CC(C)(C)O1 87073701 573766334 /nfs/dbraw/zinc/76/63/34/573766334.db2.gz RKNUBRLRXONEAC-MRVPVSSYSA-N 1 1 189.324 1.416 10 30 ADEEMO C[N@@H+](CC1(C#N)COC1)C1CCCC1 258928926 573766368 /nfs/dbraw/zinc/76/63/68/573766368.db2.gz HNOYVWWFGXDAER-UHFFFAOYSA-N 1 1 194.278 1.401 10 30 ADEEMO N#C[C@@H]1C[NH2+][C@H](c2ccccc2F)C1 108340610 573766436 /nfs/dbraw/zinc/76/64/36/573766436.db2.gz XAUCHEPQGBCKDY-KCJUWKMLSA-N 1 1 190.221 2.000 10 30 ADEEMO N#CCC[N@@H+](CCS)C1CC1 87073320 573766503 /nfs/dbraw/zinc/76/65/03/573766503.db2.gz KRWYAOZJVJQPLV-UHFFFAOYSA-N 1 1 170.281 1.294 10 30 ADEEMO N#CCC[N@H+](CCS)C1CC1 87073320 573766507 /nfs/dbraw/zinc/76/65/07/573766507.db2.gz KRWYAOZJVJQPLV-UHFFFAOYSA-N 1 1 170.281 1.294 10 30 ADEEMO CC(C)C[N@@H+](C)CCS 87057429 573766570 /nfs/dbraw/zinc/76/65/70/573766570.db2.gz GSVKKDCORPGXMT-UHFFFAOYSA-N 1 1 147.287 1.504 10 30 ADEEMO CC(C)CC[N@@H+](C)CCS 87074247 573766629 /nfs/dbraw/zinc/76/66/29/573766629.db2.gz RZFVOWFBKWUFSL-UHFFFAOYSA-N 1 1 161.314 1.894 10 30 ADEEMO C[C@@H]1COCC[N@@H+]1C/C=C/CS 87058034 573766682 /nfs/dbraw/zinc/76/66/82/573766682.db2.gz XYQJDSPZPADNBI-GKQMSVHHSA-N 1 1 187.308 1.193 10 30 ADEEMO C[C@@H]1COCC[N@H+]1C/C=C/CS 87058034 573766689 /nfs/dbraw/zinc/76/66/89/573766689.db2.gz XYQJDSPZPADNBI-GKQMSVHHSA-N 1 1 187.308 1.193 10 30 ADEEMO C[C@H]1C[N@@H+](CCS)[C@H](C)CO1 87058074 573766741 /nfs/dbraw/zinc/76/67/41/573766741.db2.gz MUNZTHYMZXIXQL-SFYZADRCSA-N 1 1 175.297 1.025 10 30 ADEEMO Cc1cc([C@@H]([NH3+])CC#N)c[nH]1 238509213 573766762 /nfs/dbraw/zinc/76/67/62/573766762.db2.gz QZLPYGYWQMIACE-QMMMGPOBSA-N 1 1 149.197 1.237 10 30 ADEEMO CC1(C)COCC[N@H+]1CCS 87074291 573766817 /nfs/dbraw/zinc/76/68/17/573766817.db2.gz VAIYPRSBTYUIPW-UHFFFAOYSA-N 1 1 175.297 1.027 10 30 ADEEMO N#C[C@H]1C[NH2+][C@H](c2ccccc2F)C1 108340615 573766829 /nfs/dbraw/zinc/76/68/29/573766829.db2.gz XAUCHEPQGBCKDY-KWQFWETISA-N 1 1 190.221 2.000 10 30 ADEEMO C[NH2+][C@H](c1cccnc1)C1(C#N)CC1 259177458 573766985 /nfs/dbraw/zinc/76/69/85/573766985.db2.gz DMLWBGGGQIFDKP-SNVBAGLBSA-N 1 1 187.246 1.646 10 30 ADEEMO CC(C)=CC[N@H+]1CCC[C@H]1C=O 100097729 573769232 /nfs/dbraw/zinc/76/92/32/573769232.db2.gz FBZSNECQSUKWLI-JTQLQIEISA-N 1 1 167.252 1.616 10 30 ADEEMO Cc1cc([C@@H]([NH3+])CC#N)c(C)cc1N 238508999 573768942 /nfs/dbraw/zinc/76/89/42/573768942.db2.gz DKLVUQQNNSFZKR-JTQLQIEISA-N 1 1 189.262 1.799 10 30 ADEEMO C[C@H](O)C[C@@H]1CCC[N@H+]1CC[C@H]1CO1 308712178 573768950 /nfs/dbraw/zinc/76/89/50/573768950.db2.gz ZIKSOHFEYOLFBX-DCAQKATOSA-N 1 1 199.294 1.011 10 30 ADEEMO c1[nH+]c2c(n1C[C@H]1CO1)CCCC2 76093914 573769010 /nfs/dbraw/zinc/76/90/10/573769010.db2.gz RTWUTPDIMZKPCR-QMMMGPOBSA-N 1 1 178.235 1.161 10 30 ADEEMO C[C@]12CCCC[C@@H]1C[C@@H](C#N)[NH2+]2 238509475 573770074 /nfs/dbraw/zinc/77/00/74/573770074.db2.gz LICCSIHLYINBBG-UTLUCORTSA-N 1 1 164.252 1.821 10 30 ADEEMO C=CC[C@@H]1C(=O)CC[C@H]2CCC[N@@H+]21 238097471 573770089 /nfs/dbraw/zinc/77/00/89/573770089.db2.gz CAVCLXRPBBSQCE-NXEZZACHSA-N 1 1 179.263 1.758 10 30 ADEEMO C=CC[N@@H+](CC)[C@H](CC)C(=O)OC 308436375 573771479 /nfs/dbraw/zinc/77/14/79/573771479.db2.gz WTGSHZDEIRHTBE-SECBINFHSA-N 1 1 185.267 1.446 10 30 ADEEMO C=CC[N@H+](CC)[C@H](CC)C(=O)OC 308436375 573771485 /nfs/dbraw/zinc/77/14/85/573771485.db2.gz WTGSHZDEIRHTBE-SECBINFHSA-N 1 1 185.267 1.446 10 30 ADEEMO Cc1[nH+]ccn1C[C@@H](C)CS 87091249 573772266 /nfs/dbraw/zinc/77/22/66/573772266.db2.gz FMZIJMFWHUOWCV-SSDOTTSWSA-N 1 1 170.281 1.757 10 30 ADEEMO Cc1[nH+]ccn1C[C@H](C)CS 87091251 573772050 /nfs/dbraw/zinc/77/20/50/573772050.db2.gz FMZIJMFWHUOWCV-ZETCQYMHSA-N 1 1 170.281 1.757 10 30 ADEEMO C=CCCC[NH2+][C@@H](CC)C(=N)NO 393562641 573775980 /nfs/dbraw/zinc/77/59/80/573775980.db2.gz AHZIPXYGCIRZKG-QMMMGPOBSA-N 1 1 185.271 1.277 10 30 ADEEMO CCCc1[nH+]ccn1CCS 87093490 573776082 /nfs/dbraw/zinc/77/60/82/573776082.db2.gz XTDGSLHTRIILCL-UHFFFAOYSA-N 1 1 170.281 1.765 10 30 ADEEMO Cc1ccc(N)cc1[C@@H]([NH3+])CC#N 238513537 573777796 /nfs/dbraw/zinc/77/77/96/573777796.db2.gz NIGIANWTLOMMRO-JTQLQIEISA-N 1 1 175.235 1.491 10 30 ADEEMO Cc1cc([C@@H]([NH3+])CN)c(C)cc1C#N 238512299 573779743 /nfs/dbraw/zinc/77/97/43/573779743.db2.gz XNNXJFMBXZWRCK-NSHDSACASA-N 1 1 189.262 1.134 10 30 ADEEMO C[N@H+]1CC[C@H](C/C=C\CC=O)C1 258118484 573779960 /nfs/dbraw/zinc/77/99/60/573779960.db2.gz IGACAMLZHYHPHJ-ZMWSMAPVSA-N 1 1 167.252 1.473 10 30 ADEEMO C[Si](C)(C)/[NH+]=C/c1ncc[nH]1 238512511 573779972 /nfs/dbraw/zinc/77/99/72/573779972.db2.gz IFCBWNXARHJIOF-UXBLZVDNSA-N 1 1 167.288 1.664 10 30 ADEEMO C[N@H+]1CC[C@@H](C/C=C\CC=O)C1 258118481 573780594 /nfs/dbraw/zinc/78/05/94/573780594.db2.gz IGACAMLZHYHPHJ-MXQLGCADSA-N 1 1 167.252 1.473 10 30 ADEEMO Cc1cc([C@@H]([NH3+])CN)cc(C)c1C#N 238512594 573780682 /nfs/dbraw/zinc/78/06/82/573780682.db2.gz GITNNOIGPJZBBI-NSHDSACASA-N 1 1 189.262 1.134 10 30 ADEEMO C=CCC[C@H](C)[N@H+](C)CC(=O)NC 308431608 573782751 /nfs/dbraw/zinc/78/27/51/573782751.db2.gz UEKPXCYKBINPLT-VIFPVBQESA-N 1 1 184.283 1.019 10 30 ADEEMO Cc1[nH+]c(C(F)F)cc(N)c1CC#N 238503510 573784717 /nfs/dbraw/zinc/78/47/17/573784717.db2.gz JABHIZLQCKHOKR-UHFFFAOYSA-N 1 1 197.188 1.976 10 30 ADEEMO CCCCC(N)=[NH+]O[C@@H]1CCOC1 308431556 573784987 /nfs/dbraw/zinc/78/49/87/573784987.db2.gz UBYCNXHBMSPGLU-MRVPVSSYSA-N 1 1 186.255 1.254 10 30 ADEEMO C[C@@]1(c2ccccc2)O[C@]1(C#N)C[NH3+] 238503270 573785351 /nfs/dbraw/zinc/78/53/51/573785351.db2.gz LAAZISIMANRUAP-QWRGUYRKSA-N 1 1 188.230 1.153 10 30 ADEEMO CC[C@H](C#N)C[NH2+]Cc1cc[nH]c1 258947074 573785624 /nfs/dbraw/zinc/78/56/24/573785624.db2.gz JGLHQFFCRMMRJO-SECBINFHSA-N 1 1 177.251 1.654 10 30 ADEEMO C[N@@H+](CC1(C#N)COC1)C1CCC1 258947092 573786163 /nfs/dbraw/zinc/78/61/63/573786163.db2.gz JGOTXEOSUHNCPE-UHFFFAOYSA-N 1 1 180.251 1.011 10 30 ADEEMO CC[C@@H](C#N)C[NH2+]Cc1cc[nH]c1 258947077 573785903 /nfs/dbraw/zinc/78/59/03/573785903.db2.gz JGLHQFFCRMMRJO-VIFPVBQESA-N 1 1 177.251 1.654 10 30 ADEEMO Cc1ncccc1C(NC(C)C)=[NH+]N 87123586 573785972 /nfs/dbraw/zinc/78/59/72/573785972.db2.gz ZQDMVBKEIRZLSE-UHFFFAOYSA-N 1 1 192.266 1.008 10 30 ADEEMO C#CC(C)(C)[N@@H+]1CC[C@H](O)C[C@@H]1C 238502879 573786029 /nfs/dbraw/zinc/78/60/29/573786029.db2.gz GMVUXZINTVPGQK-UWVGGRQHSA-N 1 1 181.279 1.243 10 30 ADEEMO C[C@@]1(c2ccccc2)O[C@@]1(C#N)C[NH3+] 238503421 573786221 /nfs/dbraw/zinc/78/62/21/573786221.db2.gz LAAZISIMANRUAP-WDEREUQCSA-N 1 1 188.230 1.153 10 30 ADEEMO C=C(C)C[N@@H+](C)Cc1cnc(N)o1 308434353 573788052 /nfs/dbraw/zinc/78/80/52/573788052.db2.gz VHVCYTSYYTZXHG-UHFFFAOYSA-N 1 1 181.239 1.265 10 30 ADEEMO C=C(C)C[N@H+](C)Cc1cnc(N)o1 308434353 573788057 /nfs/dbraw/zinc/78/80/57/573788057.db2.gz VHVCYTSYYTZXHG-UHFFFAOYSA-N 1 1 181.239 1.265 10 30 ADEEMO C=CC[C@@H](CC)[NH2+]CC(=O)OCC 308434023 573788501 /nfs/dbraw/zinc/78/85/01/573788501.db2.gz VCMTUQSJWKDFDF-SECBINFHSA-N 1 1 185.267 1.494 10 30 ADEEMO C=CC[C@@H](C)[C@@H]([NH3+])c1cn[nH]n1 715012002 573789354 /nfs/dbraw/zinc/78/93/54/573789354.db2.gz WVYBLMUBCXWWJG-HTRCEHHLSA-N 1 1 166.228 1.017 10 30 ADEEMO C[NH2+][C@H](c1ccncc1)C1(C#N)CC1 259188513 573789887 /nfs/dbraw/zinc/78/98/87/573789887.db2.gz DWIKRURPYCTQJX-SNVBAGLBSA-N 1 1 187.246 1.646 10 30 ADEEMO C[N@@H+](CCCC#N)Cc1ccc[nH]1 258944062 573789916 /nfs/dbraw/zinc/78/99/16/573789916.db2.gz QQIBWBIHNPMVCZ-UHFFFAOYSA-N 1 1 177.251 1.750 10 30 ADEEMO C=CC[C@H](C)[C@H]([NH3+])c1cn[nH]n1 715012008 573790001 /nfs/dbraw/zinc/79/00/01/573790001.db2.gz WVYBLMUBCXWWJG-XPUUQOCRSA-N 1 1 166.228 1.017 10 30 ADEEMO C[N@H+](CC=O)CCC(C)(C)C 258942302 573790392 /nfs/dbraw/zinc/79/03/92/573790392.db2.gz TVOXHSUQFWKCGH-UHFFFAOYSA-N 1 1 157.257 1.553 10 30 ADEEMO O=C[C@@H]1CCC[N@H+]1CC=C1CC1 100284790 573790860 /nfs/dbraw/zinc/79/08/60/573790860.db2.gz CFNKBVLRKISZMX-JTQLQIEISA-N 1 1 165.236 1.370 10 30 ADEEMO C=CC[C@H](CC)[NH2+]CC(=O)OCC 308434024 573790927 /nfs/dbraw/zinc/79/09/27/573790927.db2.gz VCMTUQSJWKDFDF-VIFPVBQESA-N 1 1 185.267 1.494 10 30 ADEEMO C=CC[C@H](C)[C@@H]([NH3+])c1cn[nH]n1 715012004 573791168 /nfs/dbraw/zinc/79/11/68/573791168.db2.gz WVYBLMUBCXWWJG-POYBYMJQSA-N 1 1 166.228 1.017 10 30 ADEEMO C[NH2+][C@@H](c1ccncc1)C1(C#N)CC1 259188511 573791315 /nfs/dbraw/zinc/79/13/15/573791315.db2.gz DWIKRURPYCTQJX-JTQLQIEISA-N 1 1 187.246 1.646 10 30 ADEEMO Cc1ccc(C[N@H+](C)CC=O)c(C)c1 258949253 573791429 /nfs/dbraw/zinc/79/14/29/573791429.db2.gz UPGIHFPCCXHYKS-UHFFFAOYSA-N 1 1 191.274 1.934 10 30 ADEEMO Cc1ccc(C[N@@H+](C)CC=O)c(C)c1 258949253 573791432 /nfs/dbraw/zinc/79/14/32/573791432.db2.gz UPGIHFPCCXHYKS-UHFFFAOYSA-N 1 1 191.274 1.934 10 30 ADEEMO Cc1c(C(F)F)cnc(C[NH3+])c1C#N 238518467 573792051 /nfs/dbraw/zinc/79/20/51/573792051.db2.gz WBOCYURXFXUJPX-UHFFFAOYSA-N 1 1 197.188 1.658 10 30 ADEEMO C[N@H+]1CC[C@H]([C@]2(C)C[C@@H]2C#N)C1 258945580 573793049 /nfs/dbraw/zinc/79/30/49/573793049.db2.gz DEGGZZSWZXSBTR-AEJSXWLSSA-N 1 1 164.252 1.488 10 30 ADEEMO Cc1cc([C@H]([NH3+])CC#N)cc(=O)[nH]1 238520640 573793191 /nfs/dbraw/zinc/79/31/91/573793191.db2.gz ULYJHJGCLMSBLC-MRVPVSSYSA-N 1 1 177.207 1.009 10 30 ADEEMO C=CCc1noc(C[NH2+]C2CC2)n1 308725778 573793214 /nfs/dbraw/zinc/79/32/14/573793214.db2.gz GKQCLZHTIQHRCE-UHFFFAOYSA-N 1 1 179.223 1.050 10 30 ADEEMO C#C[C@@H](O)C(C)(C)C1=[NH+]CCC1 238105446 573798098 /nfs/dbraw/zinc/79/80/98/573798098.db2.gz VNBXBCXZQGSRSV-SECBINFHSA-N 1 1 165.236 1.242 10 30 ADEEMO C=C(C)[C@@H]1CC[C@](C)([NH3+])[C@@H](N)C1 238125956 573796755 /nfs/dbraw/zinc/79/67/55/573796755.db2.gz YSRYTSMGSHUDCE-UTLUCORTSA-N 1 1 168.284 1.407 10 30 ADEEMO Cc1cc([C@H]([NH3+])CC#N)c(C)cc1O 238520378 573797208 /nfs/dbraw/zinc/79/72/08/573797208.db2.gz HSCAUDNDFHQQJR-SNVBAGLBSA-N 1 1 190.246 1.923 10 30 ADEEMO C=C(C)[C@@H]1CC[C@@](C)([NH3+])[C@@H](N)C1 238124756 573797739 /nfs/dbraw/zinc/79/77/39/573797739.db2.gz YSRYTSMGSHUDCE-KXUCPTDWSA-N 1 1 168.284 1.407 10 30 ADEEMO N#CC1([C@@H]([NH3+])c2ccncc2)CC1 259191040 573797841 /nfs/dbraw/zinc/79/78/41/573797841.db2.gz DCBQRKNYENLSQD-VIFPVBQESA-N 1 1 173.219 1.385 10 30 ADEEMO CC#CCN1CCC[C@@H]2C[NH2+]CC[C@H]21 715012624 573797983 /nfs/dbraw/zinc/79/79/83/573797983.db2.gz XTYMCARYYQNPBU-VXGBXAGGSA-N 1 1 192.306 1.084 10 30 ADEEMO Cc1cnc(C[NH2+]CCCC#N)n1C 308731779 573798362 /nfs/dbraw/zinc/79/83/62/573798362.db2.gz JUKLIJOPKCTPEH-UHFFFAOYSA-N 1 1 192.266 1.122 10 30 ADEEMO [NH3+][C@@H](C=O)c1ccc2ncoc2c1 259190255 573798458 /nfs/dbraw/zinc/79/84/58/573798458.db2.gz FPBINEJITMOMSG-ZETCQYMHSA-N 1 1 176.175 1.027 10 30 ADEEMO C[C@H](CC#N)[NH2+][C@H](C)c1ccn(C)c1 393668889 573798511 /nfs/dbraw/zinc/79/85/11/573798511.db2.gz BQTGGXRFKWLICI-NXEZZACHSA-N 1 1 191.278 1.978 10 30 ADEEMO N#C[C@@H]1CC[N@H+]([C@@H]2CCCSC2)C1 259621503 573798698 /nfs/dbraw/zinc/79/86/98/573798698.db2.gz FGRHBTQOKFCGIX-VHSXEESVSA-N 1 1 196.319 1.727 10 30 ADEEMO CC#CCN1CCC[C@H]2C[NH2+]CC[C@@H]21 715012622 573798728 /nfs/dbraw/zinc/79/87/28/573798728.db2.gz XTYMCARYYQNPBU-RYUDHWBXSA-N 1 1 192.306 1.084 10 30 ADEEMO N#C[C@H]1CC[N@H+]([C@@H]2CCCSC2)C1 259621499 573799601 /nfs/dbraw/zinc/79/96/01/573799601.db2.gz FGRHBTQOKFCGIX-NXEZZACHSA-N 1 1 196.319 1.727 10 30 ADEEMO C[C@@H](CC#N)[NH2+][C@H](C)c1ccn(C)c1 393668893 573802064 /nfs/dbraw/zinc/80/20/64/573802064.db2.gz BQTGGXRFKWLICI-VHSXEESVSA-N 1 1 191.278 1.978 10 30 ADEEMO C=C[C@H]1[NH2+][C@@H](c2ccccc2)CO1 238127957 573805405 /nfs/dbraw/zinc/80/54/05/573805405.db2.gz KTASOJVXZDVYTI-MNOVXSKESA-N 1 1 175.231 1.860 10 30 ADEEMO C[N@H+]1CC[C@H](N2CCC[C@H]2CC#N)C1 259570568 573805783 /nfs/dbraw/zinc/80/57/83/573805783.db2.gz AMJMOCCZXBKCFB-QWRGUYRKSA-N 1 1 193.294 1.069 10 30 ADEEMO CCCC[N@H+](C)[C@H]1CCO[C@H]1C#N 393591174 573809065 /nfs/dbraw/zinc/80/90/65/573809065.db2.gz QGKTYQMLZZFPAT-UWVGGRQHSA-N 1 1 182.267 1.399 10 30 ADEEMO CCCC[N@@H+](C)[C@H]1CCO[C@H]1C#N 393591174 573809072 /nfs/dbraw/zinc/80/90/72/573809072.db2.gz QGKTYQMLZZFPAT-UWVGGRQHSA-N 1 1 182.267 1.399 10 30 ADEEMO Cc1c(CC#N)cc[nH+]c1N 238529744 573808731 /nfs/dbraw/zinc/80/87/31/573808731.db2.gz KJVCIPRULQEQIF-UHFFFAOYSA-N 1 1 147.181 1.038 10 30 ADEEMO C[N@@H+](CCCS)Cc1ccc[nH]1 258956236 573808810 /nfs/dbraw/zinc/80/88/10/573808810.db2.gz VHDILKZXLCTSMJ-UHFFFAOYSA-N 1 1 184.308 1.766 10 30 ADEEMO Fc1cccc(C[NH2+]CS)c1 258959811 573808881 /nfs/dbraw/zinc/80/88/81/573808881.db2.gz SRNLRBSJOZCKMH-UHFFFAOYSA-N 1 1 171.240 1.803 10 30 ADEEMO C=C(CNC)[C@@H]1CCC[N@@H+]1C(C)C 258136343 573811205 /nfs/dbraw/zinc/81/12/05/573811205.db2.gz JHBXRSSORBDMTN-NSHDSACASA-N 1 1 182.311 1.635 10 30 ADEEMO CCCC[N@H+](C)[C@H]1CCO[C@@H]1C#N 393591175 573811209 /nfs/dbraw/zinc/81/12/09/573811209.db2.gz QGKTYQMLZZFPAT-VHSXEESVSA-N 1 1 182.267 1.399 10 30 ADEEMO C=C(CNC)[C@@H]1CCC[N@H+]1C(C)C 258136343 573811215 /nfs/dbraw/zinc/81/12/15/573811215.db2.gz JHBXRSSORBDMTN-NSHDSACASA-N 1 1 182.311 1.635 10 30 ADEEMO CCCC[N@@H+](C)[C@H]1CCO[C@@H]1C#N 393591175 573811216 /nfs/dbraw/zinc/81/12/16/573811216.db2.gz QGKTYQMLZZFPAT-VHSXEESVSA-N 1 1 182.267 1.399 10 30 ADEEMO C[NH2+][C@@H](C=O)c1cccc(F)c1 222080329 573811060 /nfs/dbraw/zinc/81/10/60/573811060.db2.gz HBMUPHINBAMCCI-VIFPVBQESA-N 1 1 167.183 1.285 10 30 ADEEMO C=C[C@H]1CCCC[N@@H+]1CC=O 238121382 573811509 /nfs/dbraw/zinc/81/15/09/573811509.db2.gz GSTANXLPIWVVPN-VIFPVBQESA-N 1 1 153.225 1.226 10 30 ADEEMO C=C[C@H]1CCCC[N@H+]1CC=O 238121382 573811514 /nfs/dbraw/zinc/81/15/14/573811514.db2.gz GSTANXLPIWVVPN-VIFPVBQESA-N 1 1 153.225 1.226 10 30 ADEEMO C=C(CO)C[C@@H]1CCC[N@@H+]1C(C)C 258140792 573812828 /nfs/dbraw/zinc/81/28/28/573812828.db2.gz JRQQYFUPIYIHGE-NSHDSACASA-N 1 1 183.295 1.798 10 30 ADEEMO O=CC[N@@H+]1CCC[C@H](F)CC1 258147015 573818512 /nfs/dbraw/zinc/81/85/12/573818512.db2.gz RPILCALUUJXMOG-QMMMGPOBSA-N 1 1 159.204 1.009 10 30 ADEEMO C=C(CO)C[C@H]1CCC[N@@H+]1C(C)C 258140790 573815209 /nfs/dbraw/zinc/81/52/09/573815209.db2.gz JRQQYFUPIYIHGE-LLVKDONJSA-N 1 1 183.295 1.798 10 30 ADEEMO C[N@H+]1CC[C@@H](C(C)(C)CS)C1 259198566 573815566 /nfs/dbraw/zinc/81/55/66/573815566.db2.gz KQHBNLGJQRHWCU-MRVPVSSYSA-N 1 1 173.325 1.894 10 30 ADEEMO C#CC[C@@H]([NH3+])c1nnc(C(C)(C)C)o1 238133591 573815697 /nfs/dbraw/zinc/81/56/97/573815697.db2.gz GXDRTIXCXIIZQY-SSDOTTSWSA-N 1 1 193.250 1.390 10 30 ADEEMO N#C[C@H](C[NH3+])c1cccs1 258516606 573815838 /nfs/dbraw/zinc/81/58/38/573815838.db2.gz FWGUIDWVQLMHKD-LURJTMIESA-N 1 1 152.222 1.314 10 30 ADEEMO COCCCC[N@H+]1CCCC[C@@H]1C=O 131200801 573816451 /nfs/dbraw/zinc/81/64/51/573816451.db2.gz FWTLHMLQXZYSQD-LLVKDONJSA-N 1 1 199.294 1.466 10 30 ADEEMO Cc1c(C#N)cccc1[C@H]([NH3+])CC#N 238521976 573816628 /nfs/dbraw/zinc/81/66/28/573816628.db2.gz KEMVPTDWRQWZKG-LLVKDONJSA-N 1 1 185.230 1.780 10 30 ADEEMO Cc1c[nH+]c(N)c(CC#N)c1 238530392 573817045 /nfs/dbraw/zinc/81/70/45/573817045.db2.gz HFZGNYRUFYTPRY-UHFFFAOYSA-N 1 1 147.181 1.038 10 30 ADEEMO COCCCC[N@H+]1CCC[C@@H](C=O)C1 131200583 573818828 /nfs/dbraw/zinc/81/88/28/573818828.db2.gz OIOIFMUEBMCTRS-LLVKDONJSA-N 1 1 199.294 1.324 10 30 ADEEMO C=CC[N@H+](CC)CC(=O)NCCC 308447394 573817693 /nfs/dbraw/zinc/81/76/93/573817693.db2.gz BYQZTBNJEDNCNJ-UHFFFAOYSA-N 1 1 184.283 1.021 10 30 ADEEMO COCCCC[N@H+]1CCC[C@H](C=O)C1 131200379 573817819 /nfs/dbraw/zinc/81/78/19/573817819.db2.gz OIOIFMUEBMCTRS-NSHDSACASA-N 1 1 199.294 1.324 10 30 ADEEMO Cc1csc([C@@H](C#N)C[NH3+])n1 259622735 573818057 /nfs/dbraw/zinc/81/80/57/573818057.db2.gz HXTRBBIBJTYKNH-ZCFIWIBFSA-N 1 1 167.237 1.017 10 30 ADEEMO C[C@@H]1[C@@H](CC#N)NC[C@H]2CCCC[N@H+]21 259622599 573818395 /nfs/dbraw/zinc/81/83/95/573818395.db2.gz HIOCCRZYAWEWFC-GMTAPVOTSA-N 1 1 193.294 1.115 10 30 ADEEMO COCCCC[N@H+]1CCCC[C@H]1C=O 131200974 573818876 /nfs/dbraw/zinc/81/88/76/573818876.db2.gz FWTLHMLQXZYSQD-NSHDSACASA-N 1 1 199.294 1.466 10 30 ADEEMO O=CC[N@@H+]1CCCc2ccccc2C1 108991455 573818644 /nfs/dbraw/zinc/81/86/44/573818644.db2.gz GFUJBTUMSMKASQ-UHFFFAOYSA-N 1 1 189.258 1.634 10 30 ADEEMO O=CC[N@H+]1CCCc2ccccc2C1 108991455 573818653 /nfs/dbraw/zinc/81/86/53/573818653.db2.gz GFUJBTUMSMKASQ-UHFFFAOYSA-N 1 1 189.258 1.634 10 30 ADEEMO C[C@@H]1[C@H](CC#N)NC[C@H]2CCCC[N@H+]21 259622601 573820442 /nfs/dbraw/zinc/82/04/42/573820442.db2.gz HIOCCRZYAWEWFC-MXWKQRLJSA-N 1 1 193.294 1.115 10 30 ADEEMO CCO[C@H](C)C[C@](C)([NH3+])C#N 84301016 573819733 /nfs/dbraw/zinc/81/97/33/573819733.db2.gz NOLMYPXBRZJIRZ-SFYZADRCSA-N 1 1 156.229 1.042 10 30 ADEEMO N#CC1(C[NH2+]Cc2ccc[nH]2)CCC1 258963410 573819902 /nfs/dbraw/zinc/81/99/02/573819902.db2.gz SAJZQCPNQJRTLY-UHFFFAOYSA-N 1 1 189.262 1.798 10 30 ADEEMO Cc1cc([C@H]([NH3+])CN)cc(C)c1C#N 238523220 573820206 /nfs/dbraw/zinc/82/02/06/573820206.db2.gz GITNNOIGPJZBBI-LLVKDONJSA-N 1 1 189.262 1.134 10 30 ADEEMO C[N@H+](Cc1cc[nH]c1)CC(C)(C)C#N 258963296 573820212 /nfs/dbraw/zinc/82/02/12/573820212.db2.gz TUTOQWCYNYLXGW-UHFFFAOYSA-N 1 1 191.278 1.996 10 30 ADEEMO C[N@@H+](Cc1cc[nH]c1)CC(C)(C)C#N 258963296 573820216 /nfs/dbraw/zinc/82/02/16/573820216.db2.gz TUTOQWCYNYLXGW-UHFFFAOYSA-N 1 1 191.278 1.996 10 30 ADEEMO CC[N@@H+](C)CC[C@@H]1CCC[C@@]1(N)C#N 224528614 573820240 /nfs/dbraw/zinc/82/02/40/573820240.db2.gz VCCMNWJXRIVFLI-WDEREUQCSA-N 1 1 195.310 1.349 10 30 ADEEMO C[C@@H]1[C@H](CC#N)NC[C@@H]2CCCC[N@H+]21 259622608 573821517 /nfs/dbraw/zinc/82/15/17/573821517.db2.gz HIOCCRZYAWEWFC-VWYCJHECSA-N 1 1 193.294 1.115 10 30 ADEEMO C[NH+]1CCC(C#N)(c2cocn2)CC1 259622690 573821606 /nfs/dbraw/zinc/82/16/06/573821606.db2.gz HJOABJWZXPDDOP-UHFFFAOYSA-N 1 1 191.234 1.162 10 30 ADEEMO C=CC[N@H+](C)[C@@H](CCCC)C(N)=O 308447006 573822073 /nfs/dbraw/zinc/82/20/73/573822073.db2.gz BTHJGYCHRQKAHU-VIFPVBQESA-N 1 1 184.283 1.148 10 30 ADEEMO CC(C)(C)[N@H+]1CC[C@H]([C@H](F)C=O)C1 257886264 573829181 /nfs/dbraw/zinc/82/91/81/573829181.db2.gz MQTLDAXLKQOHKV-DTWKUNHWSA-N 1 1 187.258 1.644 10 30 ADEEMO C=CC[C@@H](C)[N@@H+](C)C(C)(C)CO 715021293 573827968 /nfs/dbraw/zinc/82/79/68/573827968.db2.gz FMWWXPYORPWACM-SECBINFHSA-N 1 1 171.284 1.654 10 30 ADEEMO Cn1cccc1[C@@](C)([NH3+])CC#N 84330135 573828710 /nfs/dbraw/zinc/82/87/10/573828710.db2.gz GURFTKUEJJGWPB-VIFPVBQESA-N 1 1 163.224 1.113 10 30 ADEEMO C[NH2+][C@@H](C=O)c1ccc2nc[nH]c2c1 259204816 573828749 /nfs/dbraw/zinc/82/87/49/573828749.db2.gz FMXMHTZJEDJMSE-JTQLQIEISA-N 1 1 189.218 1.022 10 30 ADEEMO C=CCN1CCC[NH2+][C@@H](C)CC1 259573027 573829130 /nfs/dbraw/zinc/82/91/30/573829130.db2.gz YTPXXXZDFGRHBJ-JTQLQIEISA-N 1 1 168.284 1.246 10 30 ADEEMO C[N@H+]1CCC[C@@H](/C=C\CC=O)C1 258142744 573829245 /nfs/dbraw/zinc/82/92/45/573829245.db2.gz JUBCKINVNZZLME-XJIUSYNZSA-N 1 1 167.252 1.473 10 30 ADEEMO C[NH2+][C@H](C=O)c1ccc2nc[nH]c2c1 259204819 573829250 /nfs/dbraw/zinc/82/92/50/573829250.db2.gz FMXMHTZJEDJMSE-SNVBAGLBSA-N 1 1 189.218 1.022 10 30 ADEEMO C=CCC[N@H+](C)CC(C)(C)CCO 308446063 573829258 /nfs/dbraw/zinc/82/92/58/573829258.db2.gz BFBYUEGVUUZABA-UHFFFAOYSA-N 1 1 185.311 1.903 10 30 ADEEMO CCc1ccc(C[N@H+](C)CC=O)cc1 258965180 573833363 /nfs/dbraw/zinc/83/33/63/573833363.db2.gz WJYOKLKHGFMIJA-UHFFFAOYSA-N 1 1 191.274 1.880 10 30 ADEEMO CCc1ccc(C[N@@H+](C)CC=O)cc1 258965180 573833369 /nfs/dbraw/zinc/83/33/69/573833369.db2.gz WJYOKLKHGFMIJA-UHFFFAOYSA-N 1 1 191.274 1.880 10 30 ADEEMO SC[NH2+]Cc1ccc2ncoc2c1 258965127 573833379 /nfs/dbraw/zinc/83/33/79/573833379.db2.gz UEMWULVNCDOMJV-UHFFFAOYSA-N 1 1 194.259 1.805 10 30 ADEEMO C[C@H]1Cc2cc(C#N)ccc2C[N@H+]1C 306724781 573833292 /nfs/dbraw/zinc/83/32/92/573833292.db2.gz JEXVFSNGGKZTEB-VIFPVBQESA-N 1 1 186.258 1.935 10 30 ADEEMO CC(C)(C)[N@H+]1CC[C@@H]([C@H](F)C=O)C1 257886266 573832629 /nfs/dbraw/zinc/83/26/29/573832629.db2.gz MQTLDAXLKQOHKV-RKDXNWHRSA-N 1 1 187.258 1.644 10 30 ADEEMO C=C(CC=O)C[C@@H]1CCC[N@H+](C)C1 258144636 573832663 /nfs/dbraw/zinc/83/26/63/573832663.db2.gz JYUCSVMXXWFODC-NSHDSACASA-N 1 1 181.279 1.864 10 30 ADEEMO C[N@@H+](CS)CC1CCC1 258961503 573832717 /nfs/dbraw/zinc/83/27/17/573832717.db2.gz SYLSPYMRRLSZGE-UHFFFAOYSA-N 1 1 145.271 1.606 10 30 ADEEMO C[N@H+]1CCC[C@H](/C=C\CC=O)C1 258142743 573832752 /nfs/dbraw/zinc/83/27/52/573832752.db2.gz JUBCKINVNZZLME-ODTOEKCJSA-N 1 1 167.252 1.473 10 30 ADEEMO C#C[C@@H](C)[NH2+][C@](C)(CN)CCC(C)C 166648376 573832786 /nfs/dbraw/zinc/83/27/86/573832786.db2.gz QNLVCWQDWRAFIC-NEPJUHHUSA-N 1 1 196.338 1.751 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CCC[C@H](CO)C1 715023717 573832956 /nfs/dbraw/zinc/83/29/56/573832956.db2.gz LHQAKJWBNMBKRY-QWRGUYRKSA-N 1 1 183.295 1.655 10 30 ADEEMO CN(CC#N)[C@@H]1CCC[N@H+](C2CC2)C1 259205892 573833079 /nfs/dbraw/zinc/83/30/79/573833079.db2.gz FVAOGHZKHFIQRO-LLVKDONJSA-N 1 1 193.294 1.069 10 30 ADEEMO C=CCN1CCC[NH2+][C@H](C)CC1 259573029 573833088 /nfs/dbraw/zinc/83/30/88/573833088.db2.gz YTPXXXZDFGRHBJ-SNVBAGLBSA-N 1 1 168.284 1.246 10 30 ADEEMO C=C1C(=O)C(=O)C(C)C2=C1CC[NH2+]2 238531977 573833997 /nfs/dbraw/zinc/83/39/97/573833997.db2.gz GJZRZSDFLCLXGD-UHFFFAOYSA-N 1 1 177.203 1.562 10 30 ADEEMO C=C[C@H](C)[C@H]([NH2+][C@H](C)CC)C(=O)OC 308763496 573834132 /nfs/dbraw/zinc/83/41/32/573834132.db2.gz ZFDDKNDCIZPKNS-AEJSXWLSSA-N 1 1 199.294 1.738 10 30 ADEEMO C=C[C@H](C)[C@H]([NH2+][C@@H](C)CC)C(=O)OC 308763497 573834222 /nfs/dbraw/zinc/83/42/22/573834222.db2.gz ZFDDKNDCIZPKNS-GUBZILKMSA-N 1 1 199.294 1.738 10 30 ADEEMO C[C@@H]1C[C@]1(C#N)[C@H]1CC[N@@H+](C)C1 258965695 573836291 /nfs/dbraw/zinc/83/62/91/573836291.db2.gz HKANPIBJFGISDM-KXUCPTDWSA-N 1 1 164.252 1.488 10 30 ADEEMO C=C[C@H](C)[C@@H]([NH2+][C@@H](C)CC)C(=O)OC 308763499 573836438 /nfs/dbraw/zinc/83/64/38/573836438.db2.gz ZFDDKNDCIZPKNS-LPEHRKFASA-N 1 1 199.294 1.738 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CCC[C@@H](CO)C1 715023723 573836754 /nfs/dbraw/zinc/83/67/54/573836754.db2.gz LHQAKJWBNMBKRY-WDEREUQCSA-N 1 1 183.295 1.655 10 30 ADEEMO C[C@@H]1C[C@]1(C#N)[C@@H]1CC[N@@H+](C)C1 258965696 573837180 /nfs/dbraw/zinc/83/71/80/573837180.db2.gz HKANPIBJFGISDM-OPRDCNLKSA-N 1 1 164.252 1.488 10 30 ADEEMO CC[C@H](C#N)NC[C@@H]1CC[N@@H+](CC)C1 43540257 573839842 /nfs/dbraw/zinc/83/98/42/573839842.db2.gz QCBGKBUHKYSOCB-WDEREUQCSA-N 1 1 195.310 1.220 10 30 ADEEMO C[N@H+]1CCC[C@H]([C@H]2C[C@]2(C)C#N)C1 258968343 573839863 /nfs/dbraw/zinc/83/98/63/573839863.db2.gz HSWBWIGQCIDBTI-HBNTYKKESA-N 1 1 178.279 1.878 10 30 ADEEMO Cc1[nH]c([C@@H]2CC[N@H+](C)C2)cc1C#N 259209150 573839490 /nfs/dbraw/zinc/83/94/90/573839490.db2.gz NSIHHNFSIDHMNJ-SECBINFHSA-N 1 1 189.262 1.614 10 30 ADEEMO Cc1cc(C#N)c2[nH]c(N)[nH+]c2c1 238534283 573840823 /nfs/dbraw/zinc/84/08/23/573840823.db2.gz ALKPPHDMIBJDIP-UHFFFAOYSA-N 1 1 172.191 1.325 10 30 ADEEMO CC[C@@H](C#N)NC[C@H]1CCC[N@H+]1CC 43539310 573840711 /nfs/dbraw/zinc/84/07/11/573840711.db2.gz FIJPWLSVQKGTNI-WDEREUQCSA-N 1 1 195.310 1.362 10 30 ADEEMO Cc1cc(C#N)c2c[nH+]cn2c1 238534672 573841070 /nfs/dbraw/zinc/84/10/70/573841070.db2.gz AKUYPBLEMQFHMS-UHFFFAOYSA-N 1 1 157.176 1.514 10 30 ADEEMO CC[C@@H](C#N)NC[C@@H]1CCC[N@H+]1CC 43539308 573841185 /nfs/dbraw/zinc/84/11/85/573841185.db2.gz FIJPWLSVQKGTNI-QWRGUYRKSA-N 1 1 195.310 1.362 10 30 ADEEMO CN1C[C@]([NH3+])(CC#N)c2ccccc21 84347670 573842552 /nfs/dbraw/zinc/84/25/52/573842552.db2.gz PHNIONWQKUMGFS-LLVKDONJSA-N 1 1 187.246 1.204 10 30 ADEEMO CC[C@H](C#N)NC[C@@H]1CCC[N@H+]1CC 43539309 573842604 /nfs/dbraw/zinc/84/26/04/573842604.db2.gz FIJPWLSVQKGTNI-MNOVXSKESA-N 1 1 195.310 1.362 10 30 ADEEMO CC[C@H](C#N)NC[C@H]1CCC[N@H+]1CC 43539311 573842898 /nfs/dbraw/zinc/84/28/98/573842898.db2.gz FIJPWLSVQKGTNI-GHMZBOCLSA-N 1 1 195.310 1.362 10 30 ADEEMO C#CC[NH2+]Cc1cccc(O)c1OC 308758499 573843016 /nfs/dbraw/zinc/84/30/16/573843016.db2.gz XBNHJHNKLDPWSA-UHFFFAOYSA-N 1 1 191.230 1.124 10 30 ADEEMO CCO[C@H](CC=O)[C@@H]1CCC[N@@H+](C)C1 257888561 573845526 /nfs/dbraw/zinc/84/55/26/573845526.db2.gz TXIHWEWSUZRMDZ-GHMZBOCLSA-N 1 1 199.294 1.322 10 30 ADEEMO Nc1ccc2[nH+]c(CS)cn2c1 258159951 573844984 /nfs/dbraw/zinc/84/49/84/573844984.db2.gz BNINLXQDZCTDBE-UHFFFAOYSA-N 1 1 179.248 1.346 10 30 ADEEMO CCC1([NH3+])CCN(CCCC#N)CC1 714757505 573845548 /nfs/dbraw/zinc/84/55/48/573845548.db2.gz AAWBXWWKBDYBHF-UHFFFAOYSA-N 1 1 195.310 1.493 10 30 ADEEMO CCO[C@@H](CC=O)[C@@H]1CCC[N@@H+](C)C1 257888564 573847927 /nfs/dbraw/zinc/84/79/27/573847927.db2.gz TXIHWEWSUZRMDZ-MNOVXSKESA-N 1 1 199.294 1.322 10 30 ADEEMO CC(C)[C@H](C#N)[C@H]([NH3+])c1cc[nH]c1 259574903 573848676 /nfs/dbraw/zinc/84/86/76/573848676.db2.gz VUOFVTUKQHWLNU-VHSXEESVSA-N 1 1 177.251 1.810 10 30 ADEEMO C=C(CC=O)[C@H]1CCC[N@@H+]1C 258158632 573848421 /nfs/dbraw/zinc/84/84/21/573848421.db2.gz KTQHSNUGXWLQSZ-SECBINFHSA-N 1 1 153.225 1.226 10 30 ADEEMO C[NH2+][C@H](c1ccc[nH]1)C(C)(C)C#N 259209458 573848733 /nfs/dbraw/zinc/84/87/33/573848733.db2.gz FRJZVBAPPKFKDV-SECBINFHSA-N 1 1 177.251 1.825 10 30 ADEEMO CC(C)[C@@H](C#N)[C@H]([NH3+])c1cc[nH]c1 259574897 573848760 /nfs/dbraw/zinc/84/87/60/573848760.db2.gz VUOFVTUKQHWLNU-NXEZZACHSA-N 1 1 177.251 1.810 10 30 ADEEMO C[C@@H]1CC[N@@H+](C)C[C@@H](CC#N)C1 259574708 573849845 /nfs/dbraw/zinc/84/98/45/573849845.db2.gz JPDWIULSOZRZSN-ZJUUUORDSA-N 1 1 166.268 1.878 10 30 ADEEMO CC[N@H+]1CC[C@@H](/C=C\CC=O)C1 258161319 573849986 /nfs/dbraw/zinc/84/99/86/573849986.db2.gz KYPDXKUGGKTGIP-TZGMSPROSA-N 1 1 167.252 1.473 10 30 ADEEMO CCO[C@@H](CC=O)[C@H]1CCC[N@@H+](C)C1 257888566 573850044 /nfs/dbraw/zinc/85/00/44/573850044.db2.gz TXIHWEWSUZRMDZ-QWRGUYRKSA-N 1 1 199.294 1.322 10 30 ADEEMO C[C@H]1CC[N@@H+](C)C[C@H](CC#N)C1 259574707 573850112 /nfs/dbraw/zinc/85/01/12/573850112.db2.gz JPDWIULSOZRZSN-VHSXEESVSA-N 1 1 166.268 1.878 10 30 ADEEMO N#Cc1cc(C2([NH3+])CC2)cc(F)c1O 258163080 573850377 /nfs/dbraw/zinc/85/03/77/573850377.db2.gz VFBIRLIJVUAARE-UHFFFAOYSA-N 1 1 192.193 1.351 10 30 ADEEMO CC[C@@H](/C(N)=N/O)[N@H+]1CCC(C)(C)C1 87254699 573850450 /nfs/dbraw/zinc/85/04/50/573850450.db2.gz RGECLNOJRHXBOY-QMMMGPOBSA-N 1 1 199.298 1.243 10 30 ADEEMO N#Cc1c(Cl)ccc2c1C[NH2+]C2 238531052 573851460 /nfs/dbraw/zinc/85/14/60/573851460.db2.gz AOSYXCOBXPEDLU-UHFFFAOYSA-N 1 1 178.622 1.815 10 30 ADEEMO C[N@H+]1CC[C@H]([C@@]2(C#N)CC2(C)C)C1 258972726 573851472 /nfs/dbraw/zinc/85/14/72/573851472.db2.gz IJWCZAKAYDIKHD-ONGXEEELSA-N 1 1 178.279 1.878 10 30 ADEEMO C=CC[N@@H+]1CCCC[C@H]1CC#N 259212769 573851644 /nfs/dbraw/zinc/85/16/44/573851644.db2.gz JVYGHVFYGQKWMP-JTQLQIEISA-N 1 1 164.252 1.941 10 30 ADEEMO C=CC[N@H+]1CCCC[C@H]1CC#N 259212769 573851651 /nfs/dbraw/zinc/85/16/51/573851651.db2.gz JVYGHVFYGQKWMP-JTQLQIEISA-N 1 1 164.252 1.941 10 30 ADEEMO CC1(C)CC[N@H+](CC[C@@](C)(N)C#N)C1 87258102 573851659 /nfs/dbraw/zinc/85/16/59/573851659.db2.gz UFGPFPVLTGJIDF-LLVKDONJSA-N 1 1 195.310 1.349 10 30 ADEEMO CC[N@H+]1CC[C@H](/C=C\CC=O)C1 258161318 573852045 /nfs/dbraw/zinc/85/20/45/573852045.db2.gz KYPDXKUGGKTGIP-ATPLWMGHSA-N 1 1 167.252 1.473 10 30 ADEEMO C[C@@H](C#N)C[N@H+]1CCC(C)(C)C1 87254222 573852177 /nfs/dbraw/zinc/85/21/77/573852177.db2.gz XGOBHKVDPGIUEE-VIFPVBQESA-N 1 1 166.268 1.878 10 30 ADEEMO CC(C)(C=O)C[N@H+]1CCC(C)(C)C1 87258545 573852266 /nfs/dbraw/zinc/85/22/66/573852266.db2.gz MZZRIDNYXYWDJR-UHFFFAOYSA-N 1 1 183.295 1.943 10 30 ADEEMO C[N@H+]1CC[C@@H]([C@@]2(C#N)CC2(C)C)C1 258972724 573852282 /nfs/dbraw/zinc/85/22/82/573852282.db2.gz IJWCZAKAYDIKHD-KOLCDFICSA-N 1 1 178.279 1.878 10 30 ADEEMO CC[C@H](/C(N)=N/O)[N@H+]1CCC(C)(C)C1 87254700 573852327 /nfs/dbraw/zinc/85/23/27/573852327.db2.gz RGECLNOJRHXBOY-MRVPVSSYSA-N 1 1 199.298 1.243 10 30 ADEEMO C[N@H+](Cc1cc[nH]c1)CC1(C#N)CC1 258969627 573852397 /nfs/dbraw/zinc/85/23/97/573852397.db2.gz SRPFETWUSDGPKZ-UHFFFAOYSA-N 1 1 189.262 1.750 10 30 ADEEMO C[N@@H+](Cc1cc[nH]c1)CC1(C#N)CC1 258969627 573852403 /nfs/dbraw/zinc/85/24/03/573852403.db2.gz SRPFETWUSDGPKZ-UHFFFAOYSA-N 1 1 189.262 1.750 10 30 ADEEMO C[N@H+]1CC[C@H]([C@]2(C#N)CC2(C)C)C1 258972723 573852614 /nfs/dbraw/zinc/85/26/14/573852614.db2.gz IJWCZAKAYDIKHD-GXSJLCMTSA-N 1 1 178.279 1.878 10 30 ADEEMO C=C(CO)C[C@@H]1CCC[N@H+](C)C1 258153910 573853436 /nfs/dbraw/zinc/85/34/36/573853436.db2.gz KLUAIPPGGRQZDA-JTQLQIEISA-N 1 1 169.268 1.267 10 30 ADEEMO C#C[C@@H](CC)N1CCC([NH3+])(CC)CC1 714757947 573853874 /nfs/dbraw/zinc/85/38/74/573853874.db2.gz CRQQQWLVVSWETJ-NSHDSACASA-N 1 1 194.322 1.602 10 30 ADEEMO C#C[C@H](CC)N1CCC([NH3+])(CC)CC1 714757943 573853922 /nfs/dbraw/zinc/85/39/22/573853922.db2.gz CRQQQWLVVSWETJ-LLVKDONJSA-N 1 1 194.322 1.602 10 30 ADEEMO CO[C@]1(C=O)CCC[N@H+](C2CC2)CC1 257887620 573854185 /nfs/dbraw/zinc/85/41/85/573854185.db2.gz WPJYZBICSVUMIC-LLVKDONJSA-N 1 1 197.278 1.219 10 30 ADEEMO C=CC[C@H](C)[C@H](O)[C@H]1CC[N@@H+](C)C1 715027545 573854187 /nfs/dbraw/zinc/85/41/87/573854187.db2.gz CZMVEBLSLVICRM-DCAQKATOSA-N 1 1 183.295 1.511 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CCC[C@@H](O)CC1 715028744 573855628 /nfs/dbraw/zinc/85/56/28/573855628.db2.gz LYFQMMSKPQRSNS-WDEREUQCSA-N 1 1 183.295 1.798 10 30 ADEEMO C=CC[C@@H](C)[N@H+](C)[C@@H](CC)CO 715028749 573856244 /nfs/dbraw/zinc/85/62/44/573856244.db2.gz LYJIULKJLRKGBN-ZJUUUORDSA-N 1 1 171.284 1.654 10 30 ADEEMO C[C@@H](C/C(N)=N/O)[N@H+]1CCC(C)(C)C1 87254684 573855307 /nfs/dbraw/zinc/85/53/07/573855307.db2.gz HJCKKTRSVYJVNC-QMMMGPOBSA-N 1 1 199.298 1.243 10 30 ADEEMO C[N@H+]1CC[C@@H]([C@]2(C#N)CC2(C)C)C1 258972725 573855344 /nfs/dbraw/zinc/85/53/44/573855344.db2.gz IJWCZAKAYDIKHD-MWLCHTKSSA-N 1 1 178.279 1.878 10 30 ADEEMO CC1(C)CC[N@H+](CC[C@](C)(N)C#N)C1 87258100 573855604 /nfs/dbraw/zinc/85/56/04/573855604.db2.gz UFGPFPVLTGJIDF-NSHDSACASA-N 1 1 195.310 1.349 10 30 ADEEMO C=CCCC[N@@H+]1CC[C@H](C)[C@H](O)C1 299891243 573855612 /nfs/dbraw/zinc/85/56/12/573855612.db2.gz KSQAJWBKNKWKJJ-WDEREUQCSA-N 1 1 183.295 1.655 10 30 ADEEMO C[C@H](C#N)C[N@H+]1CCC(C)(C)C1 87254220 573855744 /nfs/dbraw/zinc/85/57/44/573855744.db2.gz XGOBHKVDPGIUEE-SECBINFHSA-N 1 1 166.268 1.878 10 30 ADEEMO N#Cc1cc(F)cc2c1C[NH2+]C2 238542061 573855748 /nfs/dbraw/zinc/85/57/48/573855748.db2.gz DUXMZMSLUKYQTR-UHFFFAOYSA-N 1 1 162.167 1.301 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@@H](O)[C@H](C)C1 715026117 573855761 /nfs/dbraw/zinc/85/57/61/573855761.db2.gz VJNFRIUOZWIASH-OUAUKWLOSA-N 1 1 183.295 1.654 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@@H]([C@H](C)O)C1 715026287 573855784 /nfs/dbraw/zinc/85/57/84/573855784.db2.gz WRXOCFJAJIPUKY-GARJFASQSA-N 1 1 183.295 1.654 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](O)C1 715025878 573855803 /nfs/dbraw/zinc/85/58/03/573855803.db2.gz UTFRQURRKSBENO-VWYCJHECSA-N 1 1 183.295 1.654 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@H](O)[C@@H](C)C1 715026112 573855873 /nfs/dbraw/zinc/85/58/73/573855873.db2.gz VJNFRIUOZWIASH-DCAQKATOSA-N 1 1 183.295 1.654 10 30 ADEEMO CC1(C)CC[N@@H+](CCS)C1 87260340 573855876 /nfs/dbraw/zinc/85/58/76/573855876.db2.gz ZODQFGIDIFFCRF-UHFFFAOYSA-N 1 1 159.298 1.648 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@H](C)[C@H](O)C1 715025876 573855988 /nfs/dbraw/zinc/85/59/88/573855988.db2.gz UTFRQURRKSBENO-GARJFASQSA-N 1 1 183.295 1.654 10 30 ADEEMO C=CC[C@H](C)[C@H](O)Cn1cc[nH+]c1C 715028606 573857768 /nfs/dbraw/zinc/85/77/68/573857768.db2.gz ITFVHIQVTSLKIR-GXSJLCMTSA-N 1 1 194.278 1.765 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@H](O)[C@H](C)C1 715026118 573857845 /nfs/dbraw/zinc/85/78/45/573857845.db2.gz VJNFRIUOZWIASH-VWYCJHECSA-N 1 1 183.295 1.654 10 30 ADEEMO Cc1ccc(C#N)cc1[C@H]([NH3+])CC#N 238546186 573859507 /nfs/dbraw/zinc/85/95/07/573859507.db2.gz JVEKLXVKUDDFKQ-LLVKDONJSA-N 1 1 185.230 1.780 10 30 ADEEMO C=C(CCO)[C@H]1CC[N@H+](C(C)C)C1 258156322 573859549 /nfs/dbraw/zinc/85/95/49/573859549.db2.gz KPBUIDNUCXHWLS-NSHDSACASA-N 1 1 183.295 1.655 10 30 ADEEMO C=CC[C@H](C)[N@H+](C)[C@@H](CC)CO 715028747 573859595 /nfs/dbraw/zinc/85/95/95/573859595.db2.gz LYJIULKJLRKGBN-UWVGGRQHSA-N 1 1 171.284 1.654 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@@H](O)[C@@H](C)C1 715026114 573859654 /nfs/dbraw/zinc/85/96/54/573859654.db2.gz VJNFRIUOZWIASH-GARJFASQSA-N 1 1 183.295 1.654 10 30 ADEEMO C=CCC[C@@H](C)[NH2+]CC(=O)OC(C)C 308768905 573859700 /nfs/dbraw/zinc/85/97/00/573859700.db2.gz ZNSCFBIZABATJA-SNVBAGLBSA-N 1 1 199.294 1.882 10 30 ADEEMO C=CC[N@@H+]1CCC(C)(C)[C@@H](CCO)C1 259210959 573860125 /nfs/dbraw/zinc/86/01/25/573860125.db2.gz JRLZZBHXQOGDBN-NSHDSACASA-N 1 1 197.322 1.903 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CCC[C@@H](O)CC1 715028738 573860141 /nfs/dbraw/zinc/86/01/41/573860141.db2.gz LYFQMMSKPQRSNS-GHMZBOCLSA-N 1 1 183.295 1.798 10 30 ADEEMO C=CC[C@@H](C)[N@H+](C)[C@H](CC)CO 715028746 573860377 /nfs/dbraw/zinc/86/03/77/573860377.db2.gz LYJIULKJLRKGBN-NXEZZACHSA-N 1 1 171.284 1.654 10 30 ADEEMO C=CC[C@@H](C)[C@@H](O)Cn1cc[nH+]c1C 715028607 573860679 /nfs/dbraw/zinc/86/06/79/573860679.db2.gz ITFVHIQVTSLKIR-KOLCDFICSA-N 1 1 194.278 1.765 10 30 ADEEMO C=C(CCO)[C@@H]1CC[N@H+](C(C)C)C1 258156318 573860692 /nfs/dbraw/zinc/86/06/92/573860692.db2.gz KPBUIDNUCXHWLS-LLVKDONJSA-N 1 1 183.295 1.655 10 30 ADEEMO C#CCCC[N@H+]1CC[C@@H](C)[C@H](OC)C1 299894374 573863406 /nfs/dbraw/zinc/86/34/06/573863406.db2.gz WLAPHBLBBWSIDI-VXGBXAGGSA-N 1 1 195.306 1.757 10 30 ADEEMO C=CCN(CC)CC[C@@H]1CCC[NH2+]1 131494983 573862365 /nfs/dbraw/zinc/86/23/65/573862365.db2.gz MFQYQEWVVUZLMS-NSHDSACASA-N 1 1 182.311 1.636 10 30 ADEEMO C#C[C@H]([NH3+])c1ccc(Cl)cn1 87285953 573862467 /nfs/dbraw/zinc/86/24/67/573862467.db2.gz KJGMCUNAQJBXMV-ZETCQYMHSA-N 1 1 166.611 1.368 10 30 ADEEMO C=CCN(CC)CC[C@H]1CCC[NH2+]1 131495181 573862742 /nfs/dbraw/zinc/86/27/42/573862742.db2.gz MFQYQEWVVUZLMS-LLVKDONJSA-N 1 1 182.311 1.636 10 30 ADEEMO CC(C)C[N@@H+](CC=O)C1CC1 43803525 573862765 /nfs/dbraw/zinc/86/27/65/573862765.db2.gz JASCMZPFRQPLDR-UHFFFAOYSA-N 1 1 155.241 1.306 10 30 ADEEMO CC(C)C[N@@H+](CC=O)C(C)C 43803539 573862777 /nfs/dbraw/zinc/86/27/77/573862777.db2.gz NODRHFJPDULTPR-UHFFFAOYSA-N 1 1 157.257 1.552 10 30 ADEEMO C=CCN(CC)C[C@@]1(C)CC[NH2+]C1 131502680 573863094 /nfs/dbraw/zinc/86/30/94/573863094.db2.gz MFYCDOCVMHAEQA-NSHDSACASA-N 1 1 182.311 1.494 10 30 ADEEMO CC(C)[N@@H+](CC=O)CC1CC1 43803542 573863140 /nfs/dbraw/zinc/86/31/40/573863140.db2.gz SPMPTTLDCSYZDO-UHFFFAOYSA-N 1 1 155.241 1.306 10 30 ADEEMO C#CCCC[N@H+]1CC[C@H](C)[C@H](OC)C1 299894373 573863249 /nfs/dbraw/zinc/86/32/49/573863249.db2.gz WLAPHBLBBWSIDI-NWDGAFQWSA-N 1 1 195.306 1.757 10 30 ADEEMO C[N@@H+](CC=O)CC1CCCCC1 43803465 573863498 /nfs/dbraw/zinc/86/34/98/573863498.db2.gz JLKKUFTYBAZFSB-UHFFFAOYSA-N 1 1 169.268 1.697 10 30 ADEEMO C=CCN(CC)C[C@@H]1C[NH2+]C[C@@H]1C 131502902 573863536 /nfs/dbraw/zinc/86/35/36/573863536.db2.gz CUMWIQYCOVATGD-QWRGUYRKSA-N 1 1 182.311 1.350 10 30 ADEEMO CC(C)C[C@@H](C)[N@@H+](C)CC=O 43803528 573863644 /nfs/dbraw/zinc/86/36/44/573863644.db2.gz JAVKZMMAVWNBEB-SECBINFHSA-N 1 1 157.257 1.552 10 30 ADEEMO Cc1[nH+]cn2c1CCC[C@H]2CC#N 259576401 573864074 /nfs/dbraw/zinc/86/40/74/573864074.db2.gz DSZJMFYAFYRRSI-VIFPVBQESA-N 1 1 175.235 1.983 10 30 ADEEMO CC1(C)COCC[N@H+]1CCC[C@@H]1CO1 308459507 573868994 /nfs/dbraw/zinc/86/89/94/573868994.db2.gz CTZVIWZPSSZKFJ-SNVBAGLBSA-N 1 1 199.294 1.276 10 30 ADEEMO C=CCN(CC)Cc1ccc(C[NH3+])o1 131499259 573867615 /nfs/dbraw/zinc/86/76/15/573867615.db2.gz QYKGZPGUSQQRRC-UHFFFAOYSA-N 1 1 194.278 1.746 10 30 ADEEMO C=CCN(CC)C[C@]1(C)CC[NH2+]C1 131502455 573867716 /nfs/dbraw/zinc/86/77/16/573867716.db2.gz MFYCDOCVMHAEQA-LLVKDONJSA-N 1 1 182.311 1.494 10 30 ADEEMO C[C@H]1CC[C@@H](CC#N)C[N@H+]1C 259624195 573867801 /nfs/dbraw/zinc/86/78/01/573867801.db2.gz NUIQUPUMVNOPSW-IUCAKERBSA-N 1 1 152.241 1.630 10 30 ADEEMO C=CC[N@@H+](CC)CC[C@H](C)[NH3+] 131520950 573868457 /nfs/dbraw/zinc/86/84/57/573868457.db2.gz RLUSWFGXTJQCIN-VIFPVBQESA-N 1 1 156.273 1.232 10 30 ADEEMO O=CC[NH2+]Cc1cccc(F)c1 258974979 573868616 /nfs/dbraw/zinc/86/86/16/573868616.db2.gz XMHUNTLIQCUDAZ-UHFFFAOYSA-N 1 1 167.183 1.114 10 30 ADEEMO C=CCN(C)CC1(C[NH3+])CCC1 131443316 573868623 /nfs/dbraw/zinc/86/86/23/573868623.db2.gz KNQHSFJAUPNFEO-UHFFFAOYSA-N 1 1 168.284 1.233 10 30 ADEEMO C=CCN(C)CCC(C)(C)[NH3+] 131434193 573868890 /nfs/dbraw/zinc/86/88/90/573868890.db2.gz OXLGAOYBMOYMJY-UHFFFAOYSA-N 1 1 156.273 1.232 10 30 ADEEMO C=CC[N@@H+](C)CCc1ccc(N)cc1 131437041 573869170 /nfs/dbraw/zinc/86/91/70/573869170.db2.gz CORSCZMBAQHBIA-UHFFFAOYSA-N 1 1 190.290 1.929 10 30 ADEEMO C[C@@H]1CC[C@H](CC#N)C[N@H+]1C 259624201 573869398 /nfs/dbraw/zinc/86/93/98/573869398.db2.gz NUIQUPUMVNOPSW-RKDXNWHRSA-N 1 1 152.241 1.630 10 30 ADEEMO CC1(C)COCC[N@H+]1CCC[C@H]1CO1 308459505 573869605 /nfs/dbraw/zinc/86/96/05/573869605.db2.gz CTZVIWZPSSZKFJ-JTQLQIEISA-N 1 1 199.294 1.276 10 30 ADEEMO C[N@@H+](CS)CC(C)(C)C 258976054 573869774 /nfs/dbraw/zinc/86/97/74/573869774.db2.gz VXQWLBAQHYAOGX-UHFFFAOYSA-N 1 1 147.287 1.852 10 30 ADEEMO CC(C)C[N@H+]1CCCC[C@H]1/C(N)=N/O 79812467 573869812 /nfs/dbraw/zinc/86/98/12/573869812.db2.gz RGXLSQGNCWHZNY-VIFPVBQESA-N 1 1 199.298 1.243 10 30 ADEEMO CC(C)C[N@@H+]1CCC[C@H]1C#N 79818549 573870037 /nfs/dbraw/zinc/87/00/37/573870037.db2.gz YYMXSYOCRINPDO-VIFPVBQESA-N 1 1 152.241 1.630 10 30 ADEEMO CC(C)C[N@H+]1CCC[C@H]1C#N 79818549 573870043 /nfs/dbraw/zinc/87/00/43/573870043.db2.gz YYMXSYOCRINPDO-VIFPVBQESA-N 1 1 152.241 1.630 10 30 ADEEMO Cc1ccc([C@H]2O[C@]2(C#N)C[NH3+])cc1 238550151 573870082 /nfs/dbraw/zinc/87/00/82/573870082.db2.gz GGCABDYONIPPCT-MNOVXSKESA-N 1 1 188.230 1.287 10 30 ADEEMO CC(C)C[N@H+]1CCCC[C@@H]1/C(N)=N/O 79812463 573870086 /nfs/dbraw/zinc/87/00/86/573870086.db2.gz RGXLSQGNCWHZNY-SECBINFHSA-N 1 1 199.298 1.243 10 30 ADEEMO Cc1[nH+]c(N)ccc1CC#N 238550240 573870307 /nfs/dbraw/zinc/87/03/07/573870307.db2.gz JDCIYBQMYQEIMX-UHFFFAOYSA-N 1 1 147.181 1.038 10 30 ADEEMO Cc1ccc([C@H]2O[C@@]2(C#N)C[NH3+])cc1 238550212 573872043 /nfs/dbraw/zinc/87/20/43/573872043.db2.gz GGCABDYONIPPCT-GHMZBOCLSA-N 1 1 188.230 1.287 10 30 ADEEMO C#CCC[N@H+](C)C[C@@H]1C[C@@H](C)O[C@@H]1C 686347096 573873349 /nfs/dbraw/zinc/87/33/49/573873349.db2.gz TXJKQCQLZFQTMY-UTUOFQBUSA-N 1 1 195.306 1.755 10 30 ADEEMO C#CCC[N@H+](C)C[C@@H]1C[C@@H](C)O[C@H]1C 686347097 573873641 /nfs/dbraw/zinc/87/36/41/573873641.db2.gz TXJKQCQLZFQTMY-WOPDTQHZSA-N 1 1 195.306 1.755 10 30 ADEEMO C#CCC[N@H+](C)C[C@@H]1C[C@H](C)O[C@H]1C 686347094 573876534 /nfs/dbraw/zinc/87/65/34/573876534.db2.gz TXJKQCQLZFQTMY-SRVKXCTJSA-N 1 1 195.306 1.755 10 30 ADEEMO C=CCN(C)C[C@@]1(CC)CCC[NH2+]C1 131466942 573876652 /nfs/dbraw/zinc/87/66/52/573876652.db2.gz MAEWUNSKZZGKOK-LBPRGKRZSA-N 1 1 196.338 1.884 10 30 ADEEMO C=CCN(C)C[C@H]1CC[NH2+][C@@H]1C 131453040 573876695 /nfs/dbraw/zinc/87/66/95/573876695.db2.gz VGZHIIFLJQLXIZ-NXEZZACHSA-N 1 1 168.284 1.102 10 30 ADEEMO C=CCN(C)CCC[NH2+]C(C)(C)C 131465676 573876769 /nfs/dbraw/zinc/87/67/69/573876769.db2.gz JCJADAOQXZRKGF-UHFFFAOYSA-N 1 1 184.327 1.882 10 30 ADEEMO N#Cc1c(Cl)ccn2c[nH+]cc12 238553547 573880345 /nfs/dbraw/zinc/88/03/45/573880345.db2.gz QULMTVLTTGKNLL-UHFFFAOYSA-N 1 1 177.594 1.859 10 30 ADEEMO C[N@H+]1CC[C@@H](C(F)(F)CC#N)C1 258983497 573881662 /nfs/dbraw/zinc/88/16/62/573881662.db2.gz KCLGVDWGXYRKRQ-SSDOTTSWSA-N 1 1 174.194 1.487 10 30 ADEEMO C=CC[N@H+](C)C[C@H](C[NH3+])C(C)C 131475479 573881938 /nfs/dbraw/zinc/88/19/38/573881938.db2.gz GTNCGGMOPGFKPR-JTQLQIEISA-N 1 1 170.300 1.335 10 30 ADEEMO C=CC[N@H+](C)C[C@]1(CCC)CC[NH2+]C1 131474855 573881987 /nfs/dbraw/zinc/88/19/87/573881987.db2.gz HDUWFAACBGBPDK-GFCCVEGCSA-N 1 1 196.338 1.884 10 30 ADEEMO C=CCN(C)C[C@]1(CCC)CC[NH2+]C1 131474855 573881991 /nfs/dbraw/zinc/88/19/91/573881991.db2.gz HDUWFAACBGBPDK-GFCCVEGCSA-N 1 1 196.338 1.884 10 30 ADEEMO CC(C)[N@H+]1CC[C@H](CC#CC=O)C1 258170369 573882178 /nfs/dbraw/zinc/88/21/78/573882178.db2.gz LJZRAMMCADDFQN-NSHDSACASA-N 1 1 179.263 1.309 10 30 ADEEMO C=C[C@H]1OCCC[N@H+]1C(C)C 238177851 573882191 /nfs/dbraw/zinc/88/21/91/573882191.db2.gz KQJWNEPUCXJFNW-SECBINFHSA-N 1 1 155.241 1.629 10 30 ADEEMO C=C[C@H]1OCCC[N@@H+]1C(C)C 238177851 573882196 /nfs/dbraw/zinc/88/21/96/573882196.db2.gz KQJWNEPUCXJFNW-SECBINFHSA-N 1 1 155.241 1.629 10 30 ADEEMO N#CC1([NH3+])C[C@@H]2CC=CC[C@H]2C1 238553576 573882247 /nfs/dbraw/zinc/88/22/47/573882247.db2.gz RNXNYSRUQIQOQL-IUCAKERBSA-N 1 1 162.236 1.584 10 30 ADEEMO C=CC[N@H+](CC)C[C@]1(CC)CC[NH2+]C1 131483825 573882403 /nfs/dbraw/zinc/88/24/03/573882403.db2.gz KRFSIOHPZGCAHW-GFCCVEGCSA-N 1 1 196.338 1.884 10 30 ADEEMO C=CCN(CC)C[C@]1(CC)CC[NH2+]C1 131483825 573882409 /nfs/dbraw/zinc/88/24/09/573882409.db2.gz KRFSIOHPZGCAHW-GFCCVEGCSA-N 1 1 196.338 1.884 10 30 ADEEMO C=C[C@@H]1OCCC[N@H+]1C(C)C 238177876 573882642 /nfs/dbraw/zinc/88/26/42/573882642.db2.gz KQJWNEPUCXJFNW-VIFPVBQESA-N 1 1 155.241 1.629 10 30 ADEEMO C=C[C@@H]1OCCC[N@@H+]1C(C)C 238177876 573882646 /nfs/dbraw/zinc/88/26/46/573882646.db2.gz KQJWNEPUCXJFNW-VIFPVBQESA-N 1 1 155.241 1.629 10 30 ADEEMO CCNC(=[NH+]N)c1ccc(C)cc1F 87332400 573882996 /nfs/dbraw/zinc/88/29/96/573882996.db2.gz BUVSWEFLPNFHBP-UHFFFAOYSA-N 1 1 195.241 1.364 10 30 ADEEMO C[N@H+]1CCC[C@H]([C@H]2C[C@@H]2C#N)C1 258986713 573883074 /nfs/dbraw/zinc/88/30/74/573883074.db2.gz AJGQGBSSSPPKBB-IVZWLZJFSA-N 1 1 164.252 1.488 10 30 ADEEMO C=CC[C@H](C)[N@H+]1C[C@@H](C)[C@@H](CO)C1 715044899 573885068 /nfs/dbraw/zinc/88/50/68/573885068.db2.gz CEBXBOMGIJYPSM-OUAUKWLOSA-N 1 1 183.295 1.511 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CCOC[C@H]1CCO 715044847 573886946 /nfs/dbraw/zinc/88/69/46/573886946.db2.gz BCHVUUXUAIXUIC-WDEREUQCSA-N 1 1 199.294 1.034 10 30 ADEEMO C=CCCC[N@@H+]1CC[C@](C)(CO)C1 393568311 573888190 /nfs/dbraw/zinc/88/81/90/573888190.db2.gz YFYOCUNFNPZFEY-NSHDSACASA-N 1 1 183.295 1.657 10 30 ADEEMO N#Cc1cc(Cl)cc2c1C[NH2+]C2 238554141 573887327 /nfs/dbraw/zinc/88/73/27/573887327.db2.gz OWQWJHDQXKKAAB-UHFFFAOYSA-N 1 1 178.622 1.815 10 30 ADEEMO CC(C)[N@H+]1C[C@H](CC#N)N(C)C[C@@H]1C 251808362 573887358 /nfs/dbraw/zinc/88/73/58/573887358.db2.gz YPANCCTZFHAUDY-QWRGUYRKSA-N 1 1 195.310 1.313 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CCOC[C@@H]1CCO 715044845 573887465 /nfs/dbraw/zinc/88/74/65/573887465.db2.gz BCHVUUXUAIXUIC-MNOVXSKESA-N 1 1 199.294 1.034 10 30 ADEEMO C=CCCC[N@@H+]1CC[C@@](C)(CO)C1 393568309 573887633 /nfs/dbraw/zinc/88/76/33/573887633.db2.gz YFYOCUNFNPZFEY-LLVKDONJSA-N 1 1 183.295 1.657 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@@H](O)C[C@H]1C 715044393 573888113 /nfs/dbraw/zinc/88/81/13/573888113.db2.gz WLIANCHWQUVJLQ-HBNTYKKESA-N 1 1 183.295 1.796 10 30 ADEEMO C=CC[N@H+]1CCC(=O)CC1(C)C 238179649 573888333 /nfs/dbraw/zinc/88/83/33/573888333.db2.gz BFQFYWOSFNBRTQ-UHFFFAOYSA-N 1 1 167.252 1.616 10 30 ADEEMO C=CC[N@@H+]1CCC(=O)CC1(C)C 238179649 573888338 /nfs/dbraw/zinc/88/83/38/573888338.db2.gz BFQFYWOSFNBRTQ-UHFFFAOYSA-N 1 1 167.252 1.616 10 30 ADEEMO C=CC[C@H](C)[N@H+]1C[C@@H](C)[C@H](CO)C1 715044903 573888345 /nfs/dbraw/zinc/88/83/45/573888345.db2.gz CEBXBOMGIJYPSM-VWYCJHECSA-N 1 1 183.295 1.511 10 30 ADEEMO C=CC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](CC)C1 715045465 573888581 /nfs/dbraw/zinc/88/85/81/573888581.db2.gz GPADTCMMBHXGEQ-HBNTYKKESA-N 1 1 183.295 1.654 10 30 ADEEMO C=CC[C@@H](C)[N@@H+](C)C[C@H]1C[C@@H](O)C1 715042541 573888779 /nfs/dbraw/zinc/88/87/79/573888779.db2.gz BCYLKWABMHVDSP-MXWKQRLJSA-N 1 1 183.295 1.654 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CCOC[C@@H]1CCO 715044846 573888920 /nfs/dbraw/zinc/88/89/20/573888920.db2.gz BCHVUUXUAIXUIC-QWRGUYRKSA-N 1 1 199.294 1.034 10 30 ADEEMO CCC[N@H+]1CC[C@@H](CC#N)C1 84426718 573891754 /nfs/dbraw/zinc/89/17/54/573891754.db2.gz HLJHBBKTTPTFMX-SECBINFHSA-N 1 1 152.241 1.632 10 30 ADEEMO C=CC[N@H+](C[C@H](C)[NH3+])C(C)C 131614547 573893135 /nfs/dbraw/zinc/89/31/35/573893135.db2.gz MYJIEWQQUIYRQT-VIFPVBQESA-N 1 1 156.273 1.230 10 30 ADEEMO O=CC[NH2+]Cc1ccc(F)c(F)c1 258986093 573892057 /nfs/dbraw/zinc/89/20/57/573892057.db2.gz YPWNHUDMMODSFC-UHFFFAOYSA-N 1 1 185.173 1.253 10 30 ADEEMO C=CC[N@@H+](C[C@H](C)N)C(C)C 131614547 573893141 /nfs/dbraw/zinc/89/31/41/573893141.db2.gz MYJIEWQQUIYRQT-VIFPVBQESA-N 1 1 156.273 1.230 10 30 ADEEMO C=CC[N@H+](C[C@H](C)N)C(C)C 131614547 573893145 /nfs/dbraw/zinc/89/31/45/573893145.db2.gz MYJIEWQQUIYRQT-VIFPVBQESA-N 1 1 156.273 1.230 10 30 ADEEMO C=CCN(C[C@]1(C)CC[NH2+]C1)C(C)C 131609999 573892583 /nfs/dbraw/zinc/89/25/83/573892583.db2.gz HGLNOUHRLMIJET-GFCCVEGCSA-N 1 1 196.338 1.882 10 30 ADEEMO C=CC[N@H+](CC[C@H](C)[NH3+])C(C)C 131624273 573892410 /nfs/dbraw/zinc/89/24/10/573892410.db2.gz CGMZITZCAUUADY-JTQLQIEISA-N 1 1 170.300 1.620 10 30 ADEEMO C=CC[N@@H+](C[C@]1(C)CC[NH2+]C1)C(C)C 131609999 573892575 /nfs/dbraw/zinc/89/25/75/573892575.db2.gz HGLNOUHRLMIJET-GFCCVEGCSA-N 1 1 196.338 1.882 10 30 ADEEMO C=C[C@@H]([NH3+])[C@H](N)c1ccccc1 238561401 573892599 /nfs/dbraw/zinc/89/25/99/573892599.db2.gz ITCZTYQBLQPBCJ-NXEZZACHSA-N 1 1 162.236 1.200 10 30 ADEEMO Cc1ccc(CC[N@@H+](C)CC=O)cc1 258989945 573892927 /nfs/dbraw/zinc/89/29/27/573892927.db2.gz ZAQQUJBEXBBJDK-UHFFFAOYSA-N 1 1 191.274 1.668 10 30 ADEEMO Cc1ccc(CC[N@H+](C)CC=O)cc1 258989945 573892935 /nfs/dbraw/zinc/89/29/35/573892935.db2.gz ZAQQUJBEXBBJDK-UHFFFAOYSA-N 1 1 191.274 1.668 10 30 ADEEMO C=CC[N@H+](C[C@@H](C)[NH3+])C(C)C 131614348 573893076 /nfs/dbraw/zinc/89/30/76/573893076.db2.gz MYJIEWQQUIYRQT-SECBINFHSA-N 1 1 156.273 1.230 10 30 ADEEMO C=CC[N@@H+](C[C@@H](C)N)C(C)C 131614348 573893079 /nfs/dbraw/zinc/89/30/79/573893079.db2.gz MYJIEWQQUIYRQT-SECBINFHSA-N 1 1 156.273 1.230 10 30 ADEEMO C=CC[N@H+](C[C@@H](C)N)C(C)C 131614348 573893083 /nfs/dbraw/zinc/89/30/83/573893083.db2.gz MYJIEWQQUIYRQT-SECBINFHSA-N 1 1 156.273 1.230 10 30 ADEEMO C=CC[C@H](C)[N@H+]1C[C@H](C)[C@](C)(CN)C1 715051199 573894196 /nfs/dbraw/zinc/89/41/96/573894196.db2.gz BBGYQCQTMGTNDL-SDDRHHMPSA-N 1 1 196.338 1.868 10 30 ADEEMO C=C[C@@H]([NH3+])c1c(O)cc(O)cc1F 238563133 573894202 /nfs/dbraw/zinc/89/42/02/573894202.db2.gz NRBACDKASACRIM-SSDOTTSWSA-N 1 1 183.182 1.423 10 30 ADEEMO C=CC[N@@H+](C[C@@]1(N)CCOC1)C(C)C 131607584 573893924 /nfs/dbraw/zinc/89/39/24/573893924.db2.gz QEJJIGAOFBAEIG-NSHDSACASA-N 1 1 198.310 1.001 10 30 ADEEMO C=CCN(C[C@@]1([NH3+])CCOC1)C(C)C 131607584 573893928 /nfs/dbraw/zinc/89/39/28/573893928.db2.gz QEJJIGAOFBAEIG-NSHDSACASA-N 1 1 198.310 1.001 10 30 ADEEMO C=CC[C@H](C)[N@@H+]1C[C@H](C)[C@](C)(CN)C1 715051199 573894190 /nfs/dbraw/zinc/89/41/90/573894190.db2.gz BBGYQCQTMGTNDL-SDDRHHMPSA-N 1 1 196.338 1.868 10 30 ADEEMO C=CC[C@H](C)[N@@H+]1C[C@@H](C)[C@@](C)(CN)C1 715051201 573894511 /nfs/dbraw/zinc/89/45/11/573894511.db2.gz BBGYQCQTMGTNDL-WOPDTQHZSA-N 1 1 196.338 1.868 10 30 ADEEMO C=CC[C@H](C)[N@H+]1C[C@@H](C)[C@@](C)(CN)C1 715051201 573894517 /nfs/dbraw/zinc/89/45/17/573894517.db2.gz BBGYQCQTMGTNDL-WOPDTQHZSA-N 1 1 196.338 1.868 10 30 ADEEMO C=CC[N@H+](C[C@@H]([NH3+])C(C)C)C(C)C 131614784 573894768 /nfs/dbraw/zinc/89/47/68/573894768.db2.gz ZMZPZSQFDRFFPA-LLVKDONJSA-N 1 1 184.327 1.866 10 30 ADEEMO N#CC1(C[NH2+]Cc2cc[nH]c2)CC1 258993148 573897139 /nfs/dbraw/zinc/89/71/39/573897139.db2.gz VRUWBNXTQDYHCM-UHFFFAOYSA-N 1 1 175.235 1.408 10 30 ADEEMO C=CC[C@H](C)N1CC[C@@H]2C[NH2+]C[C@H]2C1 715051480 573897164 /nfs/dbraw/zinc/89/71/64/573897164.db2.gz CIAAQJBJAXFOKS-TUAOUCFPSA-N 1 1 194.322 1.492 10 30 ADEEMO O=CC[NH2+]Cc1coc2ccccc12 258993546 573897652 /nfs/dbraw/zinc/89/76/52/573897652.db2.gz ZKPNVNDNLFROMV-UHFFFAOYSA-N 1 1 189.214 1.721 10 30 ADEEMO C=CCN(CC)C[C@@H](C)C[NH2+]CC 131536046 573897660 /nfs/dbraw/zinc/89/76/60/573897660.db2.gz JYDHIMSKCKONOX-NSHDSACASA-N 1 1 184.327 1.740 10 30 ADEEMO C=CCN(CC)C[C@]1(C)CCC[NH2+]C1 131537022 573900082 /nfs/dbraw/zinc/90/00/82/573900082.db2.gz AHEXRAIMGOUMPZ-GFCCVEGCSA-N 1 1 196.338 1.884 10 30 ADEEMO CC(C)c1nnc([C@H]([NH3+])CS)o1 238190242 573899582 /nfs/dbraw/zinc/89/95/82/573899582.db2.gz YJIKJYGRFSBDIJ-RXMQYKEDSA-N 1 1 187.268 1.123 10 30 ADEEMO C=CC[C@H](C)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 715051461 573899745 /nfs/dbraw/zinc/89/97/45/573899745.db2.gz CIAAQJBJAXFOKS-QJPTWQEYSA-N 1 1 194.322 1.492 10 30 ADEEMO CC(C)[C@H]([NH3+])c1ccc(C#N)cc1O 238175556 573899961 /nfs/dbraw/zinc/89/99/61/573899961.db2.gz RCRSTWKFBWPAOM-NSHDSACASA-N 1 1 190.246 1.920 10 30 ADEEMO C=CC[N@H+](CCC)C[C@@H]1C[NH2+]C[C@@H]1C 131559942 573904133 /nfs/dbraw/zinc/90/41/33/573904133.db2.gz YZQWBIFXWKBABP-RYUDHWBXSA-N 1 1 196.338 1.740 10 30 ADEEMO C[N@H+]1CCC[C@@H](C(=O)CCS)C1 259226564 573901770 /nfs/dbraw/zinc/90/17/70/573901770.db2.gz RVDGBFIHLRXUDP-MRVPVSSYSA-N 1 1 187.308 1.217 10 30 ADEEMO C=CC[N@H+](CCC)C[C@]1(C)CC[NH2+]C1 131559530 573901772 /nfs/dbraw/zinc/90/17/72/573901772.db2.gz RJKGEWUOOBNLOA-GFCCVEGCSA-N 1 1 196.338 1.884 10 30 ADEEMO C=CCN(CCC)C[C@]1(C)CC[NH2+]C1 131559530 573901777 /nfs/dbraw/zinc/90/17/77/573901777.db2.gz RJKGEWUOOBNLOA-GFCCVEGCSA-N 1 1 196.338 1.884 10 30 ADEEMO C[N@@H+](CCCC/C(N)=N/O)C1CCC1 127464743 573901785 /nfs/dbraw/zinc/90/17/85/573901785.db2.gz FYGMICYIBXCWBP-UHFFFAOYSA-N 1 1 199.298 1.387 10 30 ADEEMO C=CC[N@H+](CCC)C[C@@H](CC)C[NH3+] 131568587 573904059 /nfs/dbraw/zinc/90/40/59/573904059.db2.gz XXDUYRGXKASVLR-NSHDSACASA-N 1 1 184.327 1.869 10 30 ADEEMO [NH3+][C@@H](C=O)c1coc2ccccc12 259230260 573903564 /nfs/dbraw/zinc/90/35/64/573903564.db2.gz HHWJQWZIOBZOKY-VIFPVBQESA-N 1 1 175.187 1.632 10 30 ADEEMO C=CC[N@@H+](CCC)CC1([NH3+])CC1 131575315 573903882 /nfs/dbraw/zinc/90/38/82/573903882.db2.gz JXSMGFYMMCPSDJ-UHFFFAOYSA-N 1 1 168.284 1.376 10 30 ADEEMO C=CC[N@H+](CCC)CC1([NH3+])CC1 131575315 573903889 /nfs/dbraw/zinc/90/38/89/573903889.db2.gz JXSMGFYMMCPSDJ-UHFFFAOYSA-N 1 1 168.284 1.376 10 30 ADEEMO C=CC[N@@H+](CCC)CC1(N)CC1 131575315 573903894 /nfs/dbraw/zinc/90/38/94/573903894.db2.gz JXSMGFYMMCPSDJ-UHFFFAOYSA-N 1 1 168.284 1.376 10 30 ADEEMO C=CC[N@H+](CCC)CC1(N)CC1 131575315 573903899 /nfs/dbraw/zinc/90/38/99/573903899.db2.gz JXSMGFYMMCPSDJ-UHFFFAOYSA-N 1 1 168.284 1.376 10 30 ADEEMO CC[C@@H](C#N)CN[C@@H]1CCC[N@H+](C)C1 258998039 573905039 /nfs/dbraw/zinc/90/50/39/573905039.db2.gz NNONKPJUVXCZHP-WDEREUQCSA-N 1 1 195.310 1.220 10 30 ADEEMO CC[C@@H](C#N)CN[C@@H]1CCC[N@@H+](C)C1 258998039 573905054 /nfs/dbraw/zinc/90/50/54/573905054.db2.gz NNONKPJUVXCZHP-WDEREUQCSA-N 1 1 195.310 1.220 10 30 ADEEMO C=CC[N@H+](CCC)C[C@H]1CC[NH2+]C1 131559018 573905429 /nfs/dbraw/zinc/90/54/29/573905429.db2.gz IXKFEOUXYINPDF-NSHDSACASA-N 1 1 182.311 1.494 10 30 ADEEMO C=CC[C@H](C)N1C[C@H]([NH3+])CC[C@H]1C 715055870 573905651 /nfs/dbraw/zinc/90/56/51/573905651.db2.gz ZHMQXAFKGOTULY-HBNTYKKESA-N 1 1 182.311 1.763 10 30 ADEEMO C=CC[N@H+](CCC)C[C@@]1(C)CC[NH2+]C1 131559715 573905696 /nfs/dbraw/zinc/90/56/96/573905696.db2.gz RJKGEWUOOBNLOA-LBPRGKRZSA-N 1 1 196.338 1.884 10 30 ADEEMO C=CCN(CCC)C[C@@]1(C)CC[NH2+]C1 131559715 573905700 /nfs/dbraw/zinc/90/57/00/573905700.db2.gz RJKGEWUOOBNLOA-LBPRGKRZSA-N 1 1 196.338 1.884 10 30 ADEEMO CC[C@@H](C#N)CN[C@H]1CCC[N@H+](C)C1 258998037 573905934 /nfs/dbraw/zinc/90/59/34/573905934.db2.gz NNONKPJUVXCZHP-QWRGUYRKSA-N 1 1 195.310 1.220 10 30 ADEEMO CC[C@@H](C#N)CN[C@H]1CCC[N@@H+](C)C1 258998037 573905937 /nfs/dbraw/zinc/90/59/37/573905937.db2.gz NNONKPJUVXCZHP-QWRGUYRKSA-N 1 1 195.310 1.220 10 30 ADEEMO C=CC[N@H+](CCC)C[C@@H](C)[NH3+] 131564606 573905961 /nfs/dbraw/zinc/90/59/61/573905961.db2.gz IBYRHVGXFCUKLI-SECBINFHSA-N 1 1 156.273 1.232 10 30 ADEEMO C=C(C[NH2+]C)[C@H]1CCCC[N@@H+]1CC 258178186 573907736 /nfs/dbraw/zinc/90/77/36/573907736.db2.gz LXFZYMLQWKJKBD-LLVKDONJSA-N 1 1 182.311 1.636 10 30 ADEEMO C=C(C[NH2+]C)[C@H]1CCCCN1CC 258178186 573907744 /nfs/dbraw/zinc/90/77/44/573907744.db2.gz LXFZYMLQWKJKBD-LLVKDONJSA-N 1 1 182.311 1.636 10 30 ADEEMO C=C(CNC)[C@H]1CCCC[N@H+]1CC 258178186 573907748 /nfs/dbraw/zinc/90/77/48/573907748.db2.gz LXFZYMLQWKJKBD-LLVKDONJSA-N 1 1 182.311 1.636 10 30 ADEEMO C=C(CNC)[C@H]1CCCC[N@@H+]1CC 258178186 573907755 /nfs/dbraw/zinc/90/77/55/573907755.db2.gz LXFZYMLQWKJKBD-LLVKDONJSA-N 1 1 182.311 1.636 10 30 ADEEMO C=CC[N@@H+]1CCC[C@@H](O)C1(C)C 259234224 573910724 /nfs/dbraw/zinc/91/07/24/573910724.db2.gz DOIDSUGTRWPJCS-SECBINFHSA-N 1 1 169.268 1.408 10 30 ADEEMO C#C[C@]1(O)CCC[N@H+]([C@@H](C)CC=C)C1 715058395 573909571 /nfs/dbraw/zinc/90/95/71/573909571.db2.gz PIFAJUNKKNKBMW-RYUDHWBXSA-N 1 1 193.290 1.411 10 30 ADEEMO C#C[C@@]1(O)CCC[N@H+]([C@H](C)CC=C)C1 715058396 573909607 /nfs/dbraw/zinc/90/96/07/573909607.db2.gz PIFAJUNKKNKBMW-VXGBXAGGSA-N 1 1 193.290 1.411 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CC[C@H](O)C1 715058274 573912779 /nfs/dbraw/zinc/91/27/79/573912779.db2.gz NWXFFODLSNCLAS-BDAKNGLRSA-N 1 1 155.241 1.018 10 30 ADEEMO CC(C)[N@@H+](CCC#N)CCCC#N 44414950 573911585 /nfs/dbraw/zinc/91/15/85/573911585.db2.gz LYQSUTCCLGQFLB-UHFFFAOYSA-N 1 1 179.267 1.914 10 30 ADEEMO CC(C)[N@H+](CCC#N)CCCC#N 44414950 573911591 /nfs/dbraw/zinc/91/15/91/573911591.db2.gz LYQSUTCCLGQFLB-UHFFFAOYSA-N 1 1 179.267 1.914 10 30 ADEEMO CCC[C@@H]1C[N@@H+](C)CCC1=NN 388454587 573911805 /nfs/dbraw/zinc/91/18/05/573911805.db2.gz ZJVASFKVZSBXLL-MRVPVSSYSA-N 1 1 169.272 1.053 10 30 ADEEMO C#C[C@]1(O)CCC[N@H+]([C@H](C)CC=C)C1 715058393 573911826 /nfs/dbraw/zinc/91/18/26/573911826.db2.gz PIFAJUNKKNKBMW-NEPJUHHUSA-N 1 1 193.290 1.411 10 30 ADEEMO N#CC[C@@H]1CC[N@H+]2C[C@H]3C[C@H]3[C@H]2C1 259581254 573911833 /nfs/dbraw/zinc/91/18/33/573911833.db2.gz FFTAXVKOISKKDF-GWOFURMSSA-N 1 1 176.263 1.630 10 30 ADEEMO C[N@@H+](CC/C(N)=N\O)CC1CCCC1 42011312 573911904 /nfs/dbraw/zinc/91/19/04/573911904.db2.gz QWQYEVBKGUUJCD-UHFFFAOYSA-N 1 1 199.298 1.245 10 30 ADEEMO CC[C@@H](C#N)NC[C@H]1CCCC[N@H+]1C 44562844 573916068 /nfs/dbraw/zinc/91/60/68/573916068.db2.gz TZESIWBRIKLHKT-WDEREUQCSA-N 1 1 195.310 1.362 10 30 ADEEMO N#CC[C@H]1CC[N@H+]2C[C@H]3C[C@H]3[C@H]2C1 259581260 573912434 /nfs/dbraw/zinc/91/24/34/573912434.db2.gz FFTAXVKOISKKDF-LNFKQOIKSA-N 1 1 176.263 1.630 10 30 ADEEMO CC[C@H](C#N)N[C@H]1CC[N@H+](C2CC2)C1 44721192 573912558 /nfs/dbraw/zinc/91/25/58/573912558.db2.gz MMZDMCHTLBRGNX-ZJUUUORDSA-N 1 1 193.294 1.115 10 30 ADEEMO N#CC[C@H]1CC[N@H+]2C[C@H]3C[C@H]3[C@@H]2C1 259581265 573912623 /nfs/dbraw/zinc/91/26/23/573912623.db2.gz FFTAXVKOISKKDF-ZDCRXTMVSA-N 1 1 176.263 1.630 10 30 ADEEMO C[C@H](CC#N)N[C@@H]1CC[N@H+](C2CC2)C1 44722356 573916174 /nfs/dbraw/zinc/91/61/74/573916174.db2.gz DZPGOSCVLKMMRZ-NXEZZACHSA-N 1 1 193.294 1.115 10 30 ADEEMO C[C@H](CC#N)[NH2+][C@@H]1CCN(C2CC2)C1 44722356 573916179 /nfs/dbraw/zinc/91/61/79/573916179.db2.gz DZPGOSCVLKMMRZ-NXEZZACHSA-N 1 1 193.294 1.115 10 30 ADEEMO C[N@H+]1CC[C@@H](/C=C\CC=O)C1 258180676 573916208 /nfs/dbraw/zinc/91/62/08/573916208.db2.gz LZQDGWDFMZZVOW-FIFYQCSRSA-N 1 1 153.225 1.083 10 30 ADEEMO C[C@H](CC#N)NC[C@H]1CCC[N@@H+](C)C1 44536682 573915706 /nfs/dbraw/zinc/91/57/06/573915706.db2.gz HZLDUWAGYJPVLP-GHMZBOCLSA-N 1 1 195.310 1.220 10 30 ADEEMO C[C@@H](CC#N)N[C@H]1CC[N@H+](C2CC2)C1 44722358 573915770 /nfs/dbraw/zinc/91/57/70/573915770.db2.gz DZPGOSCVLKMMRZ-UWVGGRQHSA-N 1 1 193.294 1.115 10 30 ADEEMO C[C@@H](CC#N)[NH2+][C@H]1CCN(C2CC2)C1 44722358 573915775 /nfs/dbraw/zinc/91/57/75/573915775.db2.gz DZPGOSCVLKMMRZ-UWVGGRQHSA-N 1 1 193.294 1.115 10 30 ADEEMO C=CCN(C[C@H]1C[NH2+]C[C@H]1C)C1CC1 131658861 573915928 /nfs/dbraw/zinc/91/59/28/573915928.db2.gz JKTYDGWDZUDCKQ-GHMZBOCLSA-N 1 1 194.322 1.492 10 30 ADEEMO C=CCN(CCC[NH2+]C1CC1)C1CC1 131657930 573916015 /nfs/dbraw/zinc/91/60/15/573916015.db2.gz DVJZLSMDLGMPFX-UHFFFAOYSA-N 1 1 194.322 1.779 10 30 ADEEMO C=CCN(C[C@@H]1C[NH2+]C[C@H]1C)C1CC1 131659286 573916140 /nfs/dbraw/zinc/91/61/40/573916140.db2.gz JKTYDGWDZUDCKQ-MNOVXSKESA-N 1 1 194.322 1.492 10 30 ADEEMO CN1CCC[C@@H](C[NH2+]CCCC#N)C1 44537246 573918000 /nfs/dbraw/zinc/91/80/00/573918000.db2.gz RPLBLJBMCGTQKT-NSHDSACASA-N 1 1 195.310 1.222 10 30 ADEEMO C=CC[C@@H](C)[N@@H+](CCO)C1CC1 715059159 573917512 /nfs/dbraw/zinc/91/75/12/573917512.db2.gz YNENMXZBIFBARG-SECBINFHSA-N 1 1 169.268 1.408 10 30 ADEEMO C=CC[C@@H](C)[N@@H+](C)C[C@@H](O)C1CC1 715058288 573917632 /nfs/dbraw/zinc/91/76/32/573917632.db2.gz NXQJFXIEJDNRMP-MWLCHTKSSA-N 1 1 183.295 1.654 10 30 ADEEMO C=CCN(C[C@@H]1CC[NH2+][C@@H]1C)C1CC1 131670080 573917634 /nfs/dbraw/zinc/91/76/34/573917634.db2.gz DMYQSWRNEAHHNF-MNOVXSKESA-N 1 1 194.322 1.635 10 30 ADEEMO C[C@@H](CC#N)N[C@@H]1CC[N@H+](C2CC2)C1 44722353 573917690 /nfs/dbraw/zinc/91/76/90/573917690.db2.gz DZPGOSCVLKMMRZ-VHSXEESVSA-N 1 1 193.294 1.115 10 30 ADEEMO C[C@@H](CC#N)[NH2+][C@@H]1CCN(C2CC2)C1 44722353 573917697 /nfs/dbraw/zinc/91/76/97/573917697.db2.gz DZPGOSCVLKMMRZ-VHSXEESVSA-N 1 1 193.294 1.115 10 30 ADEEMO C=CC[C@@H](C)[N@@H+](C)C[C@H](O)C1CC1 715058287 573917801 /nfs/dbraw/zinc/91/78/01/573917801.db2.gz NXQJFXIEJDNRMP-KOLCDFICSA-N 1 1 183.295 1.654 10 30 ADEEMO C[NH2+][C@H](c1ccncc1)C(C)(C)C#N 259236110 573917918 /nfs/dbraw/zinc/91/79/18/573917918.db2.gz GQWMMDHIFHROSY-SNVBAGLBSA-N 1 1 189.262 1.892 10 30 ADEEMO C[NH2+][C@@H](c1ccncc1)C(C)(C)C#N 259236107 573918022 /nfs/dbraw/zinc/91/80/22/573918022.db2.gz GQWMMDHIFHROSY-JTQLQIEISA-N 1 1 189.262 1.892 10 30 ADEEMO CO[C@@H](C=O)[C@@H]1CCC[N@H+](C2CC2)C1 257899333 573919947 /nfs/dbraw/zinc/91/99/47/573919947.db2.gz YLBFHRXXSUQTQH-KOLCDFICSA-N 1 1 197.278 1.075 10 30 ADEEMO C=CC[C@@H](C)[N@@H+](CC)CCO 715058745 573919287 /nfs/dbraw/zinc/91/92/87/573919287.db2.gz SSISANOSPGBVLO-SECBINFHSA-N 1 1 157.257 1.265 10 30 ADEEMO C[N@H+]1CC[C@@H]2C[C@H](C#N)C[C@H]2C1 259582255 573919299 /nfs/dbraw/zinc/91/92/99/573919299.db2.gz KJTKEDAIQSQOAY-AEJSXWLSSA-N 1 1 164.252 1.488 10 30 ADEEMO CC(C)[C@H]([NH3+])c1occc1C#N 238186205 573919408 /nfs/dbraw/zinc/91/94/08/573919408.db2.gz YHLVLLYAYPTIAU-QMMMGPOBSA-N 1 1 164.208 1.807 10 30 ADEEMO CO[C@H](C=O)[C@H]1CCC[N@H+](C2CC2)C1 257899331 573919582 /nfs/dbraw/zinc/91/95/82/573919582.db2.gz YLBFHRXXSUQTQH-GXSJLCMTSA-N 1 1 197.278 1.075 10 30 ADEEMO C=CC[N@H+](CC[C@H](C)[NH3+])C1CC1 131675269 573919886 /nfs/dbraw/zinc/91/98/86/573919886.db2.gz AEAUVEPYIQGIHJ-VIFPVBQESA-N 1 1 168.284 1.374 10 30 ADEEMO C=CCN(CC[C@H](C)[NH3+])C1CC1 131675269 573919893 /nfs/dbraw/zinc/91/98/93/573919893.db2.gz AEAUVEPYIQGIHJ-VIFPVBQESA-N 1 1 168.284 1.374 10 30 ADEEMO CO[C@@H](C=O)[C@H]1CCC[N@H+](C2CC2)C1 257899338 573920203 /nfs/dbraw/zinc/92/02/03/573920203.db2.gz YLBFHRXXSUQTQH-ONGXEEELSA-N 1 1 197.278 1.075 10 30 ADEEMO C=CCOCCC[N@@H+]1C[C@H](C)[C@H]1C 393495950 573921186 /nfs/dbraw/zinc/92/11/86/573921186.db2.gz XHKPLPQCOZVKBI-WDEREUQCSA-N 1 1 183.295 1.919 10 30 ADEEMO C[N@H+]1CCC[C@@H](C(F)(F)CC#N)C1 259009652 573921245 /nfs/dbraw/zinc/92/12/45/573921245.db2.gz OADYZMKZVWBEJZ-MRVPVSSYSA-N 1 1 188.221 1.877 10 30 ADEEMO CC[C@@H]1C[N@@H+]([C@H](CC)CC#N)C[C@H]1O 400040005 573921414 /nfs/dbraw/zinc/92/14/14/573921414.db2.gz MNKPHCSXCNBFCH-GMTAPVOTSA-N 1 1 196.294 1.381 10 30 ADEEMO C[N@H+]1CC[C@@H]2C[C@@H](C#N)C[C@H]2C1 259582257 573921684 /nfs/dbraw/zinc/92/16/84/573921684.db2.gz KJTKEDAIQSQOAY-BBBLOLIVSA-N 1 1 164.252 1.488 10 30 ADEEMO C[N@H+]1CCC[C@H](C(F)(F)CC#N)C1 259009655 573921900 /nfs/dbraw/zinc/92/19/00/573921900.db2.gz OADYZMKZVWBEJZ-QMMMGPOBSA-N 1 1 188.221 1.877 10 30 ADEEMO C=CC[N@H+](CC[C@@H](C)[NH3+])C1CC1 131675493 573923360 /nfs/dbraw/zinc/92/33/60/573923360.db2.gz AEAUVEPYIQGIHJ-SECBINFHSA-N 1 1 168.284 1.374 10 30 ADEEMO CC[N@@H+](C)CC1(C#N)CCC1 259011850 573922982 /nfs/dbraw/zinc/92/29/82/573922982.db2.gz XMWYTEJTDNWBAN-UHFFFAOYSA-N 1 1 152.241 1.632 10 30 ADEEMO F[C@@H]1CC[N@H+](C/C=C\CS)C1 689897826 573923051 /nfs/dbraw/zinc/92/30/51/573923051.db2.gz ADAOPNZYPJWQEB-SLYZXXNYSA-N 1 1 175.272 1.516 10 30 ADEEMO F[C@@H]1CC[N@@H+](C/C=C\CS)C1 689897826 573923057 /nfs/dbraw/zinc/92/30/57/573923057.db2.gz ADAOPNZYPJWQEB-SLYZXXNYSA-N 1 1 175.272 1.516 10 30 ADEEMO C=CCOCCC[N@@H+]1C[C@@H](C)[C@H]1C 393495942 573923111 /nfs/dbraw/zinc/92/31/11/573923111.db2.gz XHKPLPQCOZVKBI-GHMZBOCLSA-N 1 1 183.295 1.919 10 30 ADEEMO C=CCN(CC[C@@H](C)[NH3+])C1CC1 131675493 573923365 /nfs/dbraw/zinc/92/33/65/573923365.db2.gz AEAUVEPYIQGIHJ-SECBINFHSA-N 1 1 168.284 1.374 10 30 ADEEMO C=CCN(CCC1([NH3+])CCC1)C1CC1 131671336 573924388 /nfs/dbraw/zinc/92/43/88/573924388.db2.gz SQQJWPPKIPJLIY-UHFFFAOYSA-N 1 1 194.322 1.908 10 30 ADEEMO C=CCOCCC[N@@H+]1C[C@@H](C)[C@@H]1C 393495945 573924834 /nfs/dbraw/zinc/92/48/34/573924834.db2.gz XHKPLPQCOZVKBI-MNOVXSKESA-N 1 1 183.295 1.919 10 30 ADEEMO CCC/C(C)=[NH+]/CCO 238187990 573925180 /nfs/dbraw/zinc/92/51/80/573925180.db2.gz VGZDUWLHQPFJSY-BQYQJAHWSA-N 1 1 129.203 1.240 10 30 ADEEMO C[NH2+][C@@H](CCC#N)[C@H]1CCCN(C)C1 259240802 573925389 /nfs/dbraw/zinc/92/53/89/573925389.db2.gz GUUIBHPWFNFKDW-QWRGUYRKSA-N 1 1 195.310 1.220 10 30 ADEEMO CC[N@H+]1CCC[C@@H]([C@@H](F)C=O)C1 257900477 573925419 /nfs/dbraw/zinc/92/54/19/573925419.db2.gz OVUKXKYMTXKGNA-BDAKNGLRSA-N 1 1 173.231 1.255 10 30 ADEEMO CC[N@H+]1CCC[C@H]([C@H](F)C=O)C1 257900480 573925449 /nfs/dbraw/zinc/92/54/49/573925449.db2.gz OVUKXKYMTXKGNA-DTWKUNHWSA-N 1 1 173.231 1.255 10 30 ADEEMO CC[C@H](C#N)C(=O)[C@H]1CCC[N@@H+](C)C1 259239612 573925508 /nfs/dbraw/zinc/92/55/08/573925508.db2.gz VSNMJFIKVPWBNM-ZJUUUORDSA-N 1 1 194.278 1.447 10 30 ADEEMO C[NH2+][C@H](CCC#N)[C@@H]1CCCN(C)C1 259240797 573925853 /nfs/dbraw/zinc/92/58/53/573925853.db2.gz GUUIBHPWFNFKDW-GHMZBOCLSA-N 1 1 195.310 1.220 10 30 ADEEMO CCCC[N@@H+](CCO)C[C@@H](C)C#N 42207040 573927413 /nfs/dbraw/zinc/92/74/13/573927413.db2.gz ZAIOPLBJBFOINK-JTQLQIEISA-N 1 1 184.283 1.240 10 30 ADEEMO CC[C@@H](C#N)C(=O)[C@@H]1CCC[N@@H+](C)C1 259239609 573927616 /nfs/dbraw/zinc/92/76/16/573927616.db2.gz VSNMJFIKVPWBNM-VHSXEESVSA-N 1 1 194.278 1.447 10 30 ADEEMO C[N@@H+](CCc1nccs1)C[C@@H]1CO1 688752343 573927804 /nfs/dbraw/zinc/92/78/04/573927804.db2.gz DECLEOHQDQAXJV-MRVPVSSYSA-N 1 1 198.291 1.016 10 30 ADEEMO CC[N@@H+](CCC[C@@H]1CO1)C[C@@H](C)C#N 308464756 573927917 /nfs/dbraw/zinc/92/79/17/573927917.db2.gz FWAVVCMAOZYDNO-WDEREUQCSA-N 1 1 196.294 1.647 10 30 ADEEMO C[NH2+][C@H](CCC#N)[C@H]1CCCN(C)C1 259240807 573928006 /nfs/dbraw/zinc/92/80/06/573928006.db2.gz GUUIBHPWFNFKDW-WDEREUQCSA-N 1 1 195.310 1.220 10 30 ADEEMO C[N@H+]1CC[C@H](CC2(C#N)CC2)C1 259008514 573928029 /nfs/dbraw/zinc/92/80/29/573928029.db2.gz BYJFTLYJRQYRCO-SECBINFHSA-N 1 1 164.252 1.632 10 30 ADEEMO C=CCN(C[C@H](C)C[NH2+]C)C1CC1 131685530 573928048 /nfs/dbraw/zinc/92/80/48/573928048.db2.gz DJZHETSZNANVES-SNVBAGLBSA-N 1 1 182.311 1.492 10 30 ADEEMO COc1ccc2c[nH+]c(CC=O)n2c1 258459948 573928690 /nfs/dbraw/zinc/92/86/90/573928690.db2.gz XWQMPQLDVHAGKA-UHFFFAOYSA-N 1 1 190.202 1.084 10 30 ADEEMO C[N@@H+](CCc1nccs1)C[C@H]1CO1 688752344 573928712 /nfs/dbraw/zinc/92/87/12/573928712.db2.gz DECLEOHQDQAXJV-QMMMGPOBSA-N 1 1 198.291 1.016 10 30 ADEEMO CC[N@@H+](CCC[C@H]1CO1)C[C@@H](C)C#N 308464752 573928739 /nfs/dbraw/zinc/92/87/39/573928739.db2.gz FWAVVCMAOZYDNO-QWRGUYRKSA-N 1 1 196.294 1.647 10 30 ADEEMO C=CC[C@H](C)[N@H+](CCN)C(C)C 715067474 573929147 /nfs/dbraw/zinc/92/91/47/573929147.db2.gz ASQMNZABQAWVDV-JTQLQIEISA-N 1 1 170.300 1.620 10 30 ADEEMO C=C(CCO)[C@@H]1CCC[N@@H+]1CC 258182822 573929221 /nfs/dbraw/zinc/92/92/21/573929221.db2.gz MDMQGFOEKRPITG-JTQLQIEISA-N 1 1 169.268 1.409 10 30 ADEEMO C=CCN(C[C@@H](C)C[NH2+]C)C1CC1 131685284 573929237 /nfs/dbraw/zinc/92/92/37/573929237.db2.gz DJZHETSZNANVES-JTQLQIEISA-N 1 1 182.311 1.492 10 30 ADEEMO CC[N@@H+](CCC[C@H]1CO1)C[C@H](C)C#N 308464751 573929655 /nfs/dbraw/zinc/92/96/55/573929655.db2.gz FWAVVCMAOZYDNO-MNOVXSKESA-N 1 1 196.294 1.647 10 30 ADEEMO C[N@H+]1CC[C@H]([C@@H]2C[C@@]2(C)C#N)C1 259015204 573929926 /nfs/dbraw/zinc/92/99/26/573929926.db2.gz OUZUADUHAZYXLT-GUBZILKMSA-N 1 1 164.252 1.488 10 30 ADEEMO C=CC[C@@H]([NH3+])c1nc(CCC)no1 127749284 573930947 /nfs/dbraw/zinc/93/09/47/573930947.db2.gz RRSZMFHHLYPTKR-SSDOTTSWSA-N 1 1 181.239 1.598 10 30 ADEEMO C=C(CCO)[C@H]1CCC[N@@H+]1CC 258182824 573931103 /nfs/dbraw/zinc/93/11/03/573931103.db2.gz MDMQGFOEKRPITG-SNVBAGLBSA-N 1 1 169.268 1.409 10 30 ADEEMO C=CC[C@@H]([NH3+])c1nc(C(C)(C)C)no1 127746535 573931128 /nfs/dbraw/zinc/93/11/28/573931128.db2.gz POJODIPTWRHOHQ-SSDOTTSWSA-N 1 1 195.266 1.943 10 30 ADEEMO C=CC[C@H]([NH3+])c1nc(CC)no1 127742505 573931152 /nfs/dbraw/zinc/93/11/52/573931152.db2.gz WTOXDGYGVJGOMH-LURJTMIESA-N 1 1 167.212 1.208 10 30 ADEEMO C[C@@H](C[C@](C)(N)C#N)[N@@H+](C)C1CCC1 127735023 573931444 /nfs/dbraw/zinc/93/14/44/573931444.db2.gz AWLMESDKBDUBGY-ONGXEEELSA-N 1 1 195.310 1.490 10 30 ADEEMO C#CC[N@H+](CCOC)[C@@H](C)CC 42250957 573931602 /nfs/dbraw/zinc/93/16/02/573931602.db2.gz USUFXQHBGFSUOR-JTQLQIEISA-N 1 1 169.268 1.367 10 30 ADEEMO C#CC[C@@H]([NH3+])c1nc(CC(C)C)no1 127739028 573931667 /nfs/dbraw/zinc/93/16/67/573931667.db2.gz DFMKNRCLCGOXTM-MRVPVSSYSA-N 1 1 193.250 1.291 10 30 ADEEMO C[N@H+](C[C@](N)(C#N)C1CC1)C1CCC1 127748722 573931749 /nfs/dbraw/zinc/93/17/49/573931749.db2.gz XRPIRHZCCQMHTH-LLVKDONJSA-N 1 1 193.294 1.102 10 30 ADEEMO C[N@@H+](C[C@](N)(C#N)C1CC1)C1CCC1 127748722 573931755 /nfs/dbraw/zinc/93/17/55/573931755.db2.gz XRPIRHZCCQMHTH-LLVKDONJSA-N 1 1 193.294 1.102 10 30 ADEEMO C[N@@H+](CC[C@](C)(N)C#N)C1CCC1 127737683 573932950 /nfs/dbraw/zinc/93/29/50/573932950.db2.gz PSDOMXXJAPEHOE-JTQLQIEISA-N 1 1 181.283 1.102 10 30 ADEEMO C[N@@H+](CCC[C@@](C)(N)C#N)C1CCC1 127733491 573932730 /nfs/dbraw/zinc/93/27/30/573932730.db2.gz FZZCXVMDEVMVNL-LLVKDONJSA-N 1 1 195.310 1.492 10 30 ADEEMO C[C@H](C[C@@](C)(N)C#N)[N@@H+](C)C1CCC1 127735747 573932846 /nfs/dbraw/zinc/93/28/46/573932846.db2.gz AWLMESDKBDUBGY-MWLCHTKSSA-N 1 1 195.310 1.490 10 30 ADEEMO C[N@H+]1CCC[C@H](C[C@H](F)C=O)C1 257905139 573932878 /nfs/dbraw/zinc/93/28/78/573932878.db2.gz POQHZQDSFFQOQY-BDAKNGLRSA-N 1 1 173.231 1.255 10 30 ADEEMO C=CC[N@@H+]1CCCC[C@@H]1[C@@H](O)C=C 238721718 573934745 /nfs/dbraw/zinc/93/47/45/573934745.db2.gz ADRRLNNXTAEQPS-MNOVXSKESA-N 1 1 181.279 1.574 10 30 ADEEMO C[N@H+]1CCC[C@@H](C[C@@H](F)C=O)C1 257905141 573935197 /nfs/dbraw/zinc/93/51/97/573935197.db2.gz POQHZQDSFFQOQY-DTWKUNHWSA-N 1 1 173.231 1.255 10 30 ADEEMO C=CC[C@H]([NH3+])c1nc(C(C)(C)C)no1 127746733 573935213 /nfs/dbraw/zinc/93/52/13/573935213.db2.gz POJODIPTWRHOHQ-ZETCQYMHSA-N 1 1 195.266 1.943 10 30 ADEEMO C[C@H](C[C@](C)(N)C#N)[N@@H+](C)C1CCC1 127735259 573935235 /nfs/dbraw/zinc/93/52/35/573935235.db2.gz AWLMESDKBDUBGY-KOLCDFICSA-N 1 1 195.310 1.490 10 30 ADEEMO N#CC[C@@H]1CCC[N@H+]1[C@H]1CCCOC1 259586274 573935392 /nfs/dbraw/zinc/93/53/92/573935392.db2.gz BXJJVRQOAIBLSO-QWRGUYRKSA-N 1 1 194.278 1.543 10 30 ADEEMO C#CC[NH2+]Cc1cc(F)ccc1OC 308465553 573935396 /nfs/dbraw/zinc/93/53/96/573935396.db2.gz GFFGIEZZSGOHCG-UHFFFAOYSA-N 1 1 193.221 1.557 10 30 ADEEMO CC[N@H+]1CCC[C@@H]([C@@H](CC=O)OC)C1 257904560 573935552 /nfs/dbraw/zinc/93/55/52/573935552.db2.gz WGNUBUNAZGHTIY-GHMZBOCLSA-N 1 1 199.294 1.322 10 30 ADEEMO CC[N@H+]1CCC[C@@H]([C@H](CC=O)OC)C1 257904561 573935976 /nfs/dbraw/zinc/93/59/76/573935976.db2.gz WGNUBUNAZGHTIY-MNOVXSKESA-N 1 1 199.294 1.322 10 30 ADEEMO CC(C)(C)[N@H+](CCC=O)CCCO 690015183 573936145 /nfs/dbraw/zinc/93/61/45/573936145.db2.gz KUGHSHCBWRAZDP-UHFFFAOYSA-N 1 1 187.283 1.058 10 30 ADEEMO C=CC[C@@H]([NH3+])c1nc(C2CCC2)no1 127768247 573936305 /nfs/dbraw/zinc/93/63/05/573936305.db2.gz YTZCSXOHDXLTHF-MRVPVSSYSA-N 1 1 193.250 1.913 10 30 ADEEMO C#CC[NH2+]Cc1cnoc1C1CC1 585365307 573938176 /nfs/dbraw/zinc/93/81/76/573938176.db2.gz LLCTUQQIKRQIHB-UHFFFAOYSA-N 1 1 176.219 1.275 10 30 ADEEMO Cc1cccc([C@@H]([NH3+])C=O)c1 259244233 573939377 /nfs/dbraw/zinc/93/93/77/573939377.db2.gz HXFHIBBXSUMYLG-VIFPVBQESA-N 1 1 149.193 1.194 10 30 ADEEMO CC[N@@H+](CCC=O)C1CCOCC1 716484212 573943672 /nfs/dbraw/zinc/94/36/72/573943672.db2.gz GAKJLMIPDPXKEU-UHFFFAOYSA-N 1 1 185.267 1.076 10 30 ADEEMO C=C(C[NH3+])CN1CCC(C)(OC)CC1 308470760 573943837 /nfs/dbraw/zinc/94/38/37/573943837.db2.gz HXQJKIDQOPDLLX-UHFFFAOYSA-N 1 1 198.310 1.002 10 30 ADEEMO CCO[C@H]1CCC[N@H+](C[C@@H](C)C#N)C1 42422291 573945298 /nfs/dbraw/zinc/94/52/98/573945298.db2.gz YGXWOOOOGMRBHE-QWRGUYRKSA-N 1 1 196.294 1.647 10 30 ADEEMO CCO[C@H]1CCC[N@@H+](C[C@@H](C)C#N)C1 42422291 573945304 /nfs/dbraw/zinc/94/53/04/573945304.db2.gz YGXWOOOOGMRBHE-QWRGUYRKSA-N 1 1 196.294 1.647 10 30 ADEEMO CCc1[nH+]ccn1[C@H](C)C/C(N)=N\O 42419882 573945356 /nfs/dbraw/zinc/94/53/56/573945356.db2.gz HTCUVVHMMJOUQX-SSDOTTSWSA-N 1 1 196.254 1.143 10 30 ADEEMO C#CC[N@@H+]1CCC[C@H](OCCC)C1 42424578 573948286 /nfs/dbraw/zinc/94/82/86/573948286.db2.gz SZYAPJBWCBVEAQ-NSHDSACASA-N 1 1 181.279 1.511 10 30 ADEEMO CCOc1ccc([C@@H]([NH3+])C=O)cc1 259249297 573948387 /nfs/dbraw/zinc/94/83/87/573948387.db2.gz IBBYIENKBFBUGW-JTQLQIEISA-N 1 1 179.219 1.284 10 30 ADEEMO N#C[C@H]1CCC[C@H]1[N@@H+]1CCC[C@@H]1CO 42432829 573948536 /nfs/dbraw/zinc/94/85/36/573948536.db2.gz NURXUHDQCCWODW-GMTAPVOTSA-N 1 1 194.278 1.135 10 30 ADEEMO COCC[N@H+]1C[C@@H](CC#N)CC1(C)C 259249254 573948628 /nfs/dbraw/zinc/94/86/28/573948628.db2.gz FDFUXPCNYXZGRY-JTQLQIEISA-N 1 1 196.294 1.647 10 30 ADEEMO CC[C@@H](CC#N)[N@H+]1CCCC[C@@H]1CO 42432219 573948671 /nfs/dbraw/zinc/94/86/71/573948671.db2.gz GDWYUJPDUCRAAM-WDEREUQCSA-N 1 1 196.294 1.525 10 30 ADEEMO CC[C@H](CC#N)[N@H+]1CCCC[C@@H]1CO 42432220 573948707 /nfs/dbraw/zinc/94/87/07/573948707.db2.gz GDWYUJPDUCRAAM-GHMZBOCLSA-N 1 1 196.294 1.525 10 30 ADEEMO C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CO1 42437019 573948767 /nfs/dbraw/zinc/94/87/67/573948767.db2.gz ITFQRGGXZHFZAF-LLVKDONJSA-N 1 1 195.237 1.656 10 30 ADEEMO Cc1ccccc1C[N@@H+](C)C[C@@H]1CO1 42436039 573950434 /nfs/dbraw/zinc/95/04/34/573950434.db2.gz HUDOTICFQORFRU-GFCCVEGCSA-N 1 1 191.274 1.826 10 30 ADEEMO C[N@@H+](Cc1ccccc1F)C[C@H]1CO1 42436784 573949165 /nfs/dbraw/zinc/94/91/65/573949165.db2.gz YPRUJATXXLBWCB-JTQLQIEISA-N 1 1 195.237 1.656 10 30 ADEEMO C[N@H+](Cc1ccccc1F)C[C@H]1CO1 42436784 573949170 /nfs/dbraw/zinc/94/91/70/573949170.db2.gz YPRUJATXXLBWCB-JTQLQIEISA-N 1 1 195.237 1.656 10 30 ADEEMO CC(C)[N@H+]1CC[C@H](CN[C@@H](C)C#N)C1 45134738 573949576 /nfs/dbraw/zinc/94/95/76/573949576.db2.gz KAWXHAWZSZKZPO-WDEREUQCSA-N 1 1 195.310 1.218 10 30 ADEEMO CC[C@@H](CC#N)[NH2+]C[C@H](C)N(C)C 45107521 573949668 /nfs/dbraw/zinc/94/96/68/573949668.db2.gz RUJSHXJZYBXJNO-UWVGGRQHSA-N 1 1 183.299 1.218 10 30 ADEEMO C[N@H+](Cc1ccc(F)cc1)C[C@H]1CO1 42437020 573949686 /nfs/dbraw/zinc/94/96/86/573949686.db2.gz ITFQRGGXZHFZAF-NSHDSACASA-N 1 1 195.237 1.656 10 30 ADEEMO CC(C)[N@H+]1CCC=C(CS)C1 257914016 573950138 /nfs/dbraw/zinc/95/01/38/573950138.db2.gz BOJRWFSNVYCUKJ-UHFFFAOYSA-N 1 1 171.309 1.957 10 30 ADEEMO C#CC[N@@H+]1CCC[C@@H](OCCC)C1 42424577 573950509 /nfs/dbraw/zinc/95/05/09/573950509.db2.gz SZYAPJBWCBVEAQ-LLVKDONJSA-N 1 1 181.279 1.511 10 30 ADEEMO CC[C@H](CC#N)[N@H+]1CCC[C@@H]1CO 42432822 573950539 /nfs/dbraw/zinc/95/05/39/573950539.db2.gz RJSXQLDOUGQBEA-NXEZZACHSA-N 1 1 182.267 1.135 10 30 ADEEMO Cc1cccc(C[N@@H+](C)C[C@H]2CO2)c1 42435800 573950893 /nfs/dbraw/zinc/95/08/93/573950893.db2.gz XOGBUHPPSAMMBD-LBPRGKRZSA-N 1 1 191.274 1.826 10 30 ADEEMO CC[C@H](CC#N)[NH2+]C[C@H](C)N(C)C 45107522 573953039 /nfs/dbraw/zinc/95/30/39/573953039.db2.gz RUJSHXJZYBXJNO-VHSXEESVSA-N 1 1 183.299 1.218 10 30 ADEEMO N#C[C@]1([NH3+])CCC[C@@H](C2CC2)C1 81642391 573954131 /nfs/dbraw/zinc/95/41/31/573954131.db2.gz UPAIPYXLIHIZFD-ZJUUUORDSA-N 1 1 164.252 1.808 10 30 ADEEMO CCCCOCC[C@@](C)([NH3+])C#N 45213485 573954134 /nfs/dbraw/zinc/95/41/34/573954134.db2.gz BNMUFARXRJSXIT-SECBINFHSA-N 1 1 170.256 1.434 10 30 ADEEMO C[N@H+]1CCC[C@@H]([C@@H](F)C#N)C1 259249888 573954163 /nfs/dbraw/zinc/95/41/63/573954163.db2.gz LBYXYPYBLWGOQV-SFYZADRCSA-N 1 1 156.204 1.190 10 30 ADEEMO C[C@@]([NH3+])(C#N)CCOC1CCCCC1 45209033 573954355 /nfs/dbraw/zinc/95/43/55/573954355.db2.gz IHNCEWOXDYUTFZ-NSHDSACASA-N 1 1 196.294 1.967 10 30 ADEEMO CC[C@@H](C)OCC[C@@](C)([NH3+])C#N 45214031 573957045 /nfs/dbraw/zinc/95/70/45/573957045.db2.gz HQECARXDBCFJQW-RKDXNWHRSA-N 1 1 170.256 1.433 10 30 ADEEMO C[N@H+]1CCC[C@@H]([C@H](F)C#N)C1 259249883 573956097 /nfs/dbraw/zinc/95/60/97/573956097.db2.gz LBYXYPYBLWGOQV-HTQZYQBOSA-N 1 1 156.204 1.190 10 30 ADEEMO C[C@]([NH3+])(C#N)CCOC1CCCCC1 45209030 573956122 /nfs/dbraw/zinc/95/61/22/573956122.db2.gz IHNCEWOXDYUTFZ-LLVKDONJSA-N 1 1 196.294 1.967 10 30 ADEEMO CCC[N@@H+](CCO)[C@@H](CC)CC#N 42452708 573956153 /nfs/dbraw/zinc/95/61/53/573956153.db2.gz YQRBYGYDZHEUJA-JTQLQIEISA-N 1 1 184.283 1.383 10 30 ADEEMO CC[N@@H+](CCC#N)[C@@H]1CCCC[C@@H]1O 42451044 573956303 /nfs/dbraw/zinc/95/63/03/573956303.db2.gz BIGFPIQCUQPDLN-MNOVXSKESA-N 1 1 196.294 1.525 10 30 ADEEMO CCC[N@@H+](CCO)[C@H](CC)CC#N 42452710 573956555 /nfs/dbraw/zinc/95/65/55/573956555.db2.gz YQRBYGYDZHEUJA-SNVBAGLBSA-N 1 1 184.283 1.383 10 30 ADEEMO N#C[C@]1([NH3+])CCC[C@H](C2CC2)C1 81642386 573956621 /nfs/dbraw/zinc/95/66/21/573956621.db2.gz UPAIPYXLIHIZFD-UWVGGRQHSA-N 1 1 164.252 1.808 10 30 ADEEMO C#CC[C@H]([NH3+])C(=O)OCCC(C)(C)C 127875376 573956623 /nfs/dbraw/zinc/95/66/23/573956623.db2.gz BVGIUDSEXKZJDQ-VIFPVBQESA-N 1 1 197.278 1.316 10 30 ADEEMO CCC[N@@H+](CCO)[C@H]1CCC[C@@H]1C#N 42452724 573956724 /nfs/dbraw/zinc/95/67/24/573956724.db2.gz MQLCQSPBDVNOCH-MNOVXSKESA-N 1 1 196.294 1.383 10 30 ADEEMO N#C[C@H](C1CCC1)[NH+]1CCCC1 87585771 573956839 /nfs/dbraw/zinc/95/68/39/573956839.db2.gz ROYDWBMXENODPR-SNVBAGLBSA-N 1 1 164.252 1.774 10 30 ADEEMO N#C[C@@]1([NH3+])CCC[C@@H](C2CC2)C1 81642398 573956796 /nfs/dbraw/zinc/95/67/96/573956796.db2.gz UPAIPYXLIHIZFD-NXEZZACHSA-N 1 1 164.252 1.808 10 30 ADEEMO C[N@H+]1CC[C@H](C(=O)C(C)(C)C#N)C1 259250862 573956933 /nfs/dbraw/zinc/95/69/33/573956933.db2.gz SBWQJPLMTKWTON-QMMMGPOBSA-N 1 1 180.251 1.057 10 30 ADEEMO CC[C@H](CC#N)[N@@H+](CC)CCOC 42493041 573958025 /nfs/dbraw/zinc/95/80/25/573958025.db2.gz CDJFPUNTWROGEK-SNVBAGLBSA-N 1 1 184.283 1.647 10 30 ADEEMO C[C@@]([NH3+])(C#N)CCOC1CCCC1 45209142 573958061 /nfs/dbraw/zinc/95/80/61/573958061.db2.gz GNSCABHYUHUHEK-JTQLQIEISA-N 1 1 182.267 1.577 10 30 ADEEMO Cc1[nH+]ccn1CCN(C)[C@@H](C)C#N 45144588 573958129 /nfs/dbraw/zinc/95/81/29/573958129.db2.gz AQRRARQSDXLJGF-VIFPVBQESA-N 1 1 192.266 1.035 10 30 ADEEMO CCCCOCC[C@](C)([NH3+])C#N 45213482 573958315 /nfs/dbraw/zinc/95/83/15/573958315.db2.gz BNMUFARXRJSXIT-VIFPVBQESA-N 1 1 170.256 1.434 10 30 ADEEMO CC[C@@H](CC#N)[N@H+](C)CCOC 42459218 573958399 /nfs/dbraw/zinc/95/83/99/573958399.db2.gz UDQPZVXAVUOLOC-VIFPVBQESA-N 1 1 170.256 1.257 10 30 ADEEMO CC[C@@H](CC#N)[N@@H+](C)CCOC 42459218 573958401 /nfs/dbraw/zinc/95/84/01/573958401.db2.gz UDQPZVXAVUOLOC-VIFPVBQESA-N 1 1 170.256 1.257 10 30 ADEEMO C[N@@H+](CC[C@@](C)(N)C#N)C1CCCC1 45180296 573960646 /nfs/dbraw/zinc/96/06/46/573960646.db2.gz QNSOKTPINSBNBU-LLVKDONJSA-N 1 1 195.310 1.492 10 30 ADEEMO CCCC[N@@H+](CCO)[C@@H](CC)CC#N 42492996 573960651 /nfs/dbraw/zinc/96/06/51/573960651.db2.gz INLKRXHCDRUKQL-NSHDSACASA-N 1 1 198.310 1.773 10 30 ADEEMO CCCC[N@@H+](CCO)[C@H](C)CC#N 42493013 573959572 /nfs/dbraw/zinc/95/95/72/573959572.db2.gz MSBSNLASKVZAIB-SNVBAGLBSA-N 1 1 184.283 1.383 10 30 ADEEMO CCCC[N@@H+](C)CC[C@@](C)(C#N)NC 45178230 573959677 /nfs/dbraw/zinc/95/96/77/573959677.db2.gz GERBXKDRPDRVRK-NSHDSACASA-N 1 1 197.326 1.610 10 30 ADEEMO CO[C@@]1(CC=O)CC[N@H+](C(C)(C)C)C1 257920918 573959681 /nfs/dbraw/zinc/95/96/81/573959681.db2.gz YFVGVYATSPMWHI-LLVKDONJSA-N 1 1 199.294 1.465 10 30 ADEEMO C[N@@H+](CC(=O)CC#N)CC1CCCC1 259251216 573959788 /nfs/dbraw/zinc/95/97/88/573959788.db2.gz PBBPYFOEPWKOIN-UHFFFAOYSA-N 1 1 194.278 1.591 10 30 ADEEMO C[N@H+](CC(=O)CC#N)CC1CCCC1 259251216 573959794 /nfs/dbraw/zinc/95/97/94/573959794.db2.gz PBBPYFOEPWKOIN-UHFFFAOYSA-N 1 1 194.278 1.591 10 30 ADEEMO CC[N@@H+](C)CC[C@](C)(C#N)NC1CC1 45180078 573959831 /nfs/dbraw/zinc/95/98/31/573959831.db2.gz NGUZMBFELNGWKL-LLVKDONJSA-N 1 1 195.310 1.362 10 30 ADEEMO CO[C@]1(CC=O)CC[N@H+](C(C)(C)C)C1 257920920 573962097 /nfs/dbraw/zinc/96/20/97/573962097.db2.gz YFVGVYATSPMWHI-NSHDSACASA-N 1 1 199.294 1.465 10 30 ADEEMO CCN[C@](C)(C#N)Cn1cc[nH+]c1C 45183669 573959933 /nfs/dbraw/zinc/95/99/33/573959933.db2.gz ZVGTWJMSWGDICR-SNVBAGLBSA-N 1 1 192.266 1.083 10 30 ADEEMO CCCCC[N@@H+](C)CC[C@](C)(N)C#N 45180668 573960014 /nfs/dbraw/zinc/96/00/14/573960014.db2.gz WSCHPVTVWBGVJX-NSHDSACASA-N 1 1 197.326 1.739 10 30 ADEEMO CC(C)OCCCC[C@@](C)([NH3+])C#N 45325884 573960053 /nfs/dbraw/zinc/96/00/53/573960053.db2.gz ADFREIXBGNFDOH-SNVBAGLBSA-N 1 1 184.283 1.823 10 30 ADEEMO CCC[N@H+](C[C@@](C)(C#N)NC)C(C)C 45175984 573960148 /nfs/dbraw/zinc/96/01/48/573960148.db2.gz SPQJQGPICGLNDX-LLVKDONJSA-N 1 1 197.326 1.608 10 30 ADEEMO CCC[N@@H+](C[C@@](C)(C#N)NC)C(C)C 45175984 573960153 /nfs/dbraw/zinc/96/01/53/573960153.db2.gz SPQJQGPICGLNDX-LLVKDONJSA-N 1 1 197.326 1.608 10 30 ADEEMO CC(C)C[N@@H+](C)CC[C@@](C)(N)C#N 45179821 573960316 /nfs/dbraw/zinc/96/03/16/573960316.db2.gz RMCDBPGFMPLRFV-SNVBAGLBSA-N 1 1 183.299 1.205 10 30 ADEEMO CN[C@@](C)(C#N)CCn1cc[nH+]c1C 45183707 573960373 /nfs/dbraw/zinc/96/03/73/573960373.db2.gz KIYMRRZLZYTZNF-SNVBAGLBSA-N 1 1 192.266 1.083 10 30 ADEEMO CC[N@@H+](CC[C@@](C)(C#N)NC)C(C)C 45180186 573960464 /nfs/dbraw/zinc/96/04/64/573960464.db2.gz NXGQRABOGFNBAP-NSHDSACASA-N 1 1 197.326 1.608 10 30 ADEEMO CCC[NH+](CCC)C[C@](C)(C#N)NC 45175483 573962132 /nfs/dbraw/zinc/96/21/32/573962132.db2.gz OQKKPXVBHVXINI-NSHDSACASA-N 1 1 197.326 1.610 10 30 ADEEMO CCC(CC)[N@@H+](C)C[C@@](C)(N)C#N 45176239 573960583 /nfs/dbraw/zinc/96/05/83/573960583.db2.gz KWWVFBUGXRLQCV-JTQLQIEISA-N 1 1 183.299 1.348 10 30 ADEEMO C#CC[C@H]([NH3+])C(=O)OCCCCC 127851246 573960611 /nfs/dbraw/zinc/96/06/11/573960611.db2.gz WQHSDKUXHRCUHE-VIFPVBQESA-N 1 1 183.251 1.070 10 30 ADEEMO CC[C@@H](CC#N)[N@@H+](CC)CCOC 42493040 573960612 /nfs/dbraw/zinc/96/06/12/573960612.db2.gz CDJFPUNTWROGEK-JTQLQIEISA-N 1 1 184.283 1.647 10 30 ADEEMO CC[C@@H](CC#N)[N@H+](C)C[C@@H]1CCCO1 42464084 573960777 /nfs/dbraw/zinc/96/07/77/573960777.db2.gz UKKCHDUTUBRQQT-QWRGUYRKSA-N 1 1 196.294 1.789 10 30 ADEEMO CC[C@@H](CC#N)[N@@H+](C)C[C@@H]1CCCO1 42464084 573960786 /nfs/dbraw/zinc/96/07/86/573960786.db2.gz UKKCHDUTUBRQQT-QWRGUYRKSA-N 1 1 196.294 1.789 10 30 ADEEMO CC[N@@H+](C)CC[C@@](C)(C#N)NC1CC1 45180075 573960861 /nfs/dbraw/zinc/96/08/61/573960861.db2.gz NGUZMBFELNGWKL-NSHDSACASA-N 1 1 195.310 1.362 10 30 ADEEMO CCc1[nH+]ccn1CC[C@](C)(N)C#N 45207230 573960899 /nfs/dbraw/zinc/96/08/99/573960899.db2.gz HDMHWZKLDXOBIA-JTQLQIEISA-N 1 1 192.266 1.077 10 30 ADEEMO C#CC[C@@H]([NH3+])C(=O)OCCCCC 127850984 573960922 /nfs/dbraw/zinc/96/09/22/573960922.db2.gz WQHSDKUXHRCUHE-SECBINFHSA-N 1 1 183.251 1.070 10 30 ADEEMO CCCC[N@@H+](CC)CC[C@@](C)(N)C#N 45178431 573960925 /nfs/dbraw/zinc/96/09/25/573960925.db2.gz VDQLCFCDTOOKCP-LLVKDONJSA-N 1 1 197.326 1.739 10 30 ADEEMO C[N@H+](CC1CCCCC1)C[C@H]1CO1 42492927 573961018 /nfs/dbraw/zinc/96/10/18/573961018.db2.gz YYBVKFYEKMNFIX-NSHDSACASA-N 1 1 183.295 1.897 10 30 ADEEMO CCC[NH+](CCC)C[C@@](C)(C#N)NC 45175481 573961045 /nfs/dbraw/zinc/96/10/45/573961045.db2.gz OQKKPXVBHVXINI-LLVKDONJSA-N 1 1 197.326 1.610 10 30 ADEEMO CCC[NH+]=CNc1cccnc1 238211941 573961170 /nfs/dbraw/zinc/96/11/70/573961170.db2.gz QGDDTWLTMPYHCS-UHFFFAOYSA-N 1 1 163.224 1.741 10 30 ADEEMO CC(C)CC[N@@H+](C)CC[C@@](C)(N)C#N 45183196 573962157 /nfs/dbraw/zinc/96/21/57/573962157.db2.gz KVVLOPGZQTVPAC-LLVKDONJSA-N 1 1 197.326 1.595 10 30 ADEEMO CCCC[N@@H+](CCO)[C@@H](C)CC#N 42493012 573962161 /nfs/dbraw/zinc/96/21/61/573962161.db2.gz MSBSNLASKVZAIB-JTQLQIEISA-N 1 1 184.283 1.383 10 30 ADEEMO CC[N@@H+](CC[C@](C)(N)C#N)C(C)C 45180181 573961367 /nfs/dbraw/zinc/96/13/67/573961367.db2.gz ARZDQYYLFCYMTG-JTQLQIEISA-N 1 1 183.299 1.348 10 30 ADEEMO CC[C@H](CC#N)[N@H+](C)CCOC 42459220 573961423 /nfs/dbraw/zinc/96/14/23/573961423.db2.gz UDQPZVXAVUOLOC-SECBINFHSA-N 1 1 170.256 1.257 10 30 ADEEMO CC[C@H](CC#N)[N@@H+](C)CCOC 42459220 573961427 /nfs/dbraw/zinc/96/14/27/573961427.db2.gz UDQPZVXAVUOLOC-SECBINFHSA-N 1 1 170.256 1.257 10 30 ADEEMO CC[C@H](CC#N)[N@H+](C)C[C@@H]1CCCO1 42464086 573961478 /nfs/dbraw/zinc/96/14/78/573961478.db2.gz UKKCHDUTUBRQQT-MNOVXSKESA-N 1 1 196.294 1.789 10 30 ADEEMO CC[C@H](CC#N)[N@@H+](C)C[C@@H]1CCCO1 42464086 573961484 /nfs/dbraw/zinc/96/14/84/573961484.db2.gz UKKCHDUTUBRQQT-MNOVXSKESA-N 1 1 196.294 1.789 10 30 ADEEMO CCC[N@@H+](C)CC[C@](C)(C#N)NC 45179992 573961547 /nfs/dbraw/zinc/96/15/47/573961547.db2.gz ASZHZWYZMRWIRT-SNVBAGLBSA-N 1 1 183.299 1.220 10 30 ADEEMO CC(C)C[N@H+](C[C@@](C)(N)C#N)C1CC1 45177244 573962173 /nfs/dbraw/zinc/96/21/73/573962173.db2.gz BBUKAFSSPZPLOQ-NSHDSACASA-N 1 1 195.310 1.348 10 30 ADEEMO CC(C)C[N@@H+](C[C@@](C)(N)C#N)C1CC1 45177244 573962180 /nfs/dbraw/zinc/96/21/80/573962180.db2.gz BBUKAFSSPZPLOQ-NSHDSACASA-N 1 1 195.310 1.348 10 30 ADEEMO C[C@]([NH3+])(C#N)CCCCOCC1CC1 45326345 573961710 /nfs/dbraw/zinc/96/17/10/573961710.db2.gz SYLYSOMLEVGWBW-LLVKDONJSA-N 1 1 196.294 1.824 10 30 ADEEMO CC[N@@H+](CC[C@@](C)(N)C#N)C(C)C 45180184 573962191 /nfs/dbraw/zinc/96/21/91/573962191.db2.gz ARZDQYYLFCYMTG-SNVBAGLBSA-N 1 1 183.299 1.348 10 30 ADEEMO CC(C)OCCC[C@@](C)([NH3+])C#N 45325928 573961806 /nfs/dbraw/zinc/96/18/06/573961806.db2.gz WREIMCNHCKZSEO-SECBINFHSA-N 1 1 170.256 1.433 10 30 ADEEMO CC(C)C[N@@H+](C)CC[C@](C)(N)C#N 45179819 573961919 /nfs/dbraw/zinc/96/19/19/573961919.db2.gz RMCDBPGFMPLRFV-JTQLQIEISA-N 1 1 183.299 1.205 10 30 ADEEMO CCCC[N@H+](C[C@](C)(N)C#N)C1CC1 45177089 573961953 /nfs/dbraw/zinc/96/19/53/573961953.db2.gz BNILUWQQVIDQOW-LLVKDONJSA-N 1 1 195.310 1.492 10 30 ADEEMO CCCC[N@@H+](C[C@](C)(N)C#N)C1CC1 45177089 573961957 /nfs/dbraw/zinc/96/19/57/573961957.db2.gz BNILUWQQVIDQOW-LLVKDONJSA-N 1 1 195.310 1.492 10 30 ADEEMO CCCCC[N@H+](C)C[C@@](C)(N)C#N 45176078 573962007 /nfs/dbraw/zinc/96/20/07/573962007.db2.gz QVZBLFAQSJWNLK-JTQLQIEISA-N 1 1 183.299 1.349 10 30 ADEEMO CCCCC[N@@H+](C)C[C@@](C)(N)C#N 45176078 573962011 /nfs/dbraw/zinc/96/20/11/573962011.db2.gz QVZBLFAQSJWNLK-JTQLQIEISA-N 1 1 183.299 1.349 10 30 ADEEMO CCC[N@@H+](CC[C@](C)(N)C#N)C1CC1 45180624 573962021 /nfs/dbraw/zinc/96/20/21/573962021.db2.gz UZZOFKOJDOMVEZ-NSHDSACASA-N 1 1 195.310 1.492 10 30 ADEEMO CCCC[N@H+](CC)C[C@@](C)(N)C#N 45174865 573964111 /nfs/dbraw/zinc/96/41/11/573964111.db2.gz KVGBZPNJWXIWHJ-JTQLQIEISA-N 1 1 183.299 1.349 10 30 ADEEMO CCN[C@@](C)(C#N)CC[N@@H+](C)C1CC1 45180127 573964255 /nfs/dbraw/zinc/96/42/55/573964255.db2.gz OTYTUJDTCJOQHS-LLVKDONJSA-N 1 1 195.310 1.362 10 30 ADEEMO CN[C@](C)(C#N)CC[N@@H+](C)CC1CC1 45181499 573965190 /nfs/dbraw/zinc/96/51/90/573965190.db2.gz SYYDKVDBVRFHDU-NSHDSACASA-N 1 1 195.310 1.220 10 30 ADEEMO CCC(CC)[N@@H+](C)C[C@](C)(N)C#N 45176237 573965419 /nfs/dbraw/zinc/96/54/19/573965419.db2.gz KWWVFBUGXRLQCV-SNVBAGLBSA-N 1 1 183.299 1.348 10 30 ADEEMO CC(C)OCCCC[C@](C)([NH3+])C#N 45325882 573965438 /nfs/dbraw/zinc/96/54/38/573965438.db2.gz ADFREIXBGNFDOH-JTQLQIEISA-N 1 1 184.283 1.823 10 30 ADEEMO CCCCC[N@@H+](C)CC[C@@](C)(N)C#N 45180670 573965445 /nfs/dbraw/zinc/96/54/45/573965445.db2.gz WSCHPVTVWBGVJX-LLVKDONJSA-N 1 1 197.326 1.739 10 30 ADEEMO CC[C@@H](CC#N)[N@@H+](C)[C@@H](C)COC 42518209 573965453 /nfs/dbraw/zinc/96/54/53/573965453.db2.gz AGOLCACREZIQTC-UWVGGRQHSA-N 1 1 184.283 1.645 10 30 ADEEMO CC[C@H](CC#N)[N@@H+](CCCO)C(C)C 42504142 573964174 /nfs/dbraw/zinc/96/41/74/573964174.db2.gz IMUIWFHFDQPSBG-LLVKDONJSA-N 1 1 198.310 1.771 10 30 ADEEMO CCC(CC)[N@H+](C)C[C@@](C)(C#N)NC 45176241 573964038 /nfs/dbraw/zinc/96/40/38/573964038.db2.gz HDWANPDCVNMGMZ-LLVKDONJSA-N 1 1 197.326 1.608 10 30 ADEEMO CCC(CC)[N@@H+](C)C[C@@](C)(C#N)NC 45176241 573964046 /nfs/dbraw/zinc/96/40/46/573964046.db2.gz HDWANPDCVNMGMZ-LLVKDONJSA-N 1 1 197.326 1.608 10 30 ADEEMO CC[C@@H]1CCC[N@@H+]1C[C@@](C)(C#N)NC 45174567 573964064 /nfs/dbraw/zinc/96/40/64/573964064.db2.gz RYQCCXHZQINPLP-GHMZBOCLSA-N 1 1 195.310 1.362 10 30 ADEEMO CC[C@@H]1CCC[N@H+]1C[C@@](C)(C#N)NC 45174567 573964071 /nfs/dbraw/zinc/96/40/71/573964071.db2.gz RYQCCXHZQINPLP-GHMZBOCLSA-N 1 1 195.310 1.362 10 30 ADEEMO CC[C@H](C)[N@@H+](C)CC[C@@](C)(C#N)NC 45179873 573964101 /nfs/dbraw/zinc/96/41/01/573964101.db2.gz AYUQXFDKGQLNBA-QWRGUYRKSA-N 1 1 197.326 1.608 10 30 ADEEMO CCCC[N@@H+](CC)C[C@@](C)(N)C#N 45174865 573964113 /nfs/dbraw/zinc/96/41/13/573964113.db2.gz KVGBZPNJWXIWHJ-JTQLQIEISA-N 1 1 183.299 1.349 10 30 ADEEMO CC[N@@H+](CC[C@@](C)(N)C#N)C1CC1 45180502 573964159 /nfs/dbraw/zinc/96/41/59/573964159.db2.gz KSXBYTUGDKENNR-SNVBAGLBSA-N 1 1 181.283 1.102 10 30 ADEEMO CC(C)[N@H+](CCC#N)CCCCO 42529946 573964274 /nfs/dbraw/zinc/96/42/74/573964274.db2.gz ZIUNTDZDBMFZCR-UHFFFAOYSA-N 1 1 184.283 1.383 10 30 ADEEMO C=CC[C@H]([NH3+])c1nc(CCCC)no1 127792469 573964275 /nfs/dbraw/zinc/96/42/75/573964275.db2.gz JFJFWPCJWRLDNF-QMMMGPOBSA-N 1 1 195.266 1.988 10 30 ADEEMO C=CC[C@@H]([NH3+])c1nc([C@@H](C)OC)no1 127793892 573964300 /nfs/dbraw/zinc/96/43/00/573964300.db2.gz KBNZFVGFZNHLMQ-RNFRBKRXSA-N 1 1 197.238 1.353 10 30 ADEEMO CCCC[N@@H+](C)CC[C@@](C)(N)C#N 45178228 573964310 /nfs/dbraw/zinc/96/43/10/573964310.db2.gz DBPAEBCRAAWHCQ-SNVBAGLBSA-N 1 1 183.299 1.349 10 30 ADEEMO CCC[N@H+](C[C@](C)(C#N)NC)C(C)C 45175986 573964409 /nfs/dbraw/zinc/96/44/09/573964409.db2.gz SPQJQGPICGLNDX-NSHDSACASA-N 1 1 197.326 1.608 10 30 ADEEMO CCC[N@@H+](C[C@](C)(C#N)NC)C(C)C 45175986 573964411 /nfs/dbraw/zinc/96/44/11/573964411.db2.gz SPQJQGPICGLNDX-NSHDSACASA-N 1 1 197.326 1.608 10 30 ADEEMO CCC[N@@H+](C)CC[C@](C)(C#N)NCC 45179998 573964443 /nfs/dbraw/zinc/96/44/43/573964443.db2.gz WCHHZUJNXMXMDP-LLVKDONJSA-N 1 1 197.326 1.610 10 30 ADEEMO CCC[N@@H+](CC)CC[C@@](C)(N)C#N 45180571 573964451 /nfs/dbraw/zinc/96/44/51/573964451.db2.gz NEMNJGAMADKIEU-SNVBAGLBSA-N 1 1 183.299 1.349 10 30 ADEEMO C=CC[C@H]([NH3+])c1nc([C@H](C)OC)no1 127794114 573964491 /nfs/dbraw/zinc/96/44/91/573964491.db2.gz KBNZFVGFZNHLMQ-BQBZGAKWSA-N 1 1 197.238 1.353 10 30 ADEEMO CC(C)[N@@H+](CC1CC1)C[C@](C)(N)C#N 45177834 573964516 /nfs/dbraw/zinc/96/45/16/573964516.db2.gz TXRGUPKYISETNC-LLVKDONJSA-N 1 1 195.310 1.348 10 30 ADEEMO CCC[N@@H+](CC)CC[C@](C)(C#N)NC 45180577 573964546 /nfs/dbraw/zinc/96/45/46/573964546.db2.gz CROFXAPTRHYOFB-LLVKDONJSA-N 1 1 197.326 1.610 10 30 ADEEMO CCC(CC)[N@@H+](C)CC[C@@](C)(N)C#N 45180924 573964589 /nfs/dbraw/zinc/96/45/89/573964589.db2.gz WBSNBJFWNLMXCH-LLVKDONJSA-N 1 1 197.326 1.738 10 30 ADEEMO CC[C@H](C)[N@H+](CC)C[C@@](C)(C#N)NC 45175963 573964618 /nfs/dbraw/zinc/96/46/18/573964618.db2.gz KFJVULIFOHRWCH-WDEREUQCSA-N 1 1 197.326 1.608 10 30 ADEEMO CC[C@H](C)[N@@H+](CC)C[C@@](C)(C#N)NC 45175963 573964619 /nfs/dbraw/zinc/96/46/19/573964619.db2.gz KFJVULIFOHRWCH-WDEREUQCSA-N 1 1 197.326 1.608 10 30 ADEEMO CN[C@](C)(C#N)CC[N@H+]1CC[C@@H](C)C1 45181602 573964629 /nfs/dbraw/zinc/96/46/29/573964629.db2.gz DXTIQWMJRMORGY-MNOVXSKESA-N 1 1 195.310 1.220 10 30 ADEEMO CCC(C)(C)OCC[C@@](C)([NH3+])C#N 45207813 573964644 /nfs/dbraw/zinc/96/46/44/573964644.db2.gz QYYCSQOIRCHIAR-SNVBAGLBSA-N 1 1 184.283 1.823 10 30 ADEEMO CCC[N@@H+](CC[C@](C)(N)C#N)C(C)C 45180432 573964698 /nfs/dbraw/zinc/96/46/98/573964698.db2.gz TXFYOIUQYTXSBC-NSHDSACASA-N 1 1 197.326 1.738 10 30 ADEEMO CC(C)[N@H+](CCC#N)C[C@@H]1CCCO1 42530723 573964787 /nfs/dbraw/zinc/96/47/87/573964787.db2.gz BSPUFACOORAELN-NSHDSACASA-N 1 1 196.294 1.789 10 30 ADEEMO C[N@H+](CC(C)(C)C)C[C@@](C)(N)C#N 45177567 573964788 /nfs/dbraw/zinc/96/47/88/573964788.db2.gz YAVVIZICENVAKY-JTQLQIEISA-N 1 1 183.299 1.205 10 30 ADEEMO CC(C)[N@@H+](CCC#N)C[C@@H]1CCCO1 42530723 573964791 /nfs/dbraw/zinc/96/47/91/573964791.db2.gz BSPUFACOORAELN-NSHDSACASA-N 1 1 196.294 1.789 10 30 ADEEMO C[N@@H+](CC(C)(C)C)C[C@@](C)(N)C#N 45177567 573964793 /nfs/dbraw/zinc/96/47/93/573964793.db2.gz YAVVIZICENVAKY-JTQLQIEISA-N 1 1 183.299 1.205 10 30 ADEEMO CC[C@@H](CC#N)[N@@H+](CCCO)C(C)C 42504139 573965487 /nfs/dbraw/zinc/96/54/87/573965487.db2.gz IMUIWFHFDQPSBG-NSHDSACASA-N 1 1 198.310 1.771 10 30 ADEEMO CC[N@@H+](CC[C@](C)(C#N)NC)C1CC1 45180508 573964845 /nfs/dbraw/zinc/96/48/45/573964845.db2.gz NAIVIKGNFROAMC-LLVKDONJSA-N 1 1 195.310 1.362 10 30 ADEEMO CCC[N@@H+](CC[C@@](C)(N)C#N)C1CC1 45180626 573964855 /nfs/dbraw/zinc/96/48/55/573964855.db2.gz UZZOFKOJDOMVEZ-LLVKDONJSA-N 1 1 195.310 1.492 10 30 ADEEMO CC[C@@H](C)[N@@H+](C)CC[C@@](C)(C#N)NC 45179871 573964871 /nfs/dbraw/zinc/96/48/71/573964871.db2.gz AYUQXFDKGQLNBA-MNOVXSKESA-N 1 1 197.326 1.608 10 30 ADEEMO CC(C)C[N@@H+](C[C@](C)(N)C#N)C(C)C 45177793 573964948 /nfs/dbraw/zinc/96/49/48/573964948.db2.gz PQVQUZBRNIJLIU-LLVKDONJSA-N 1 1 197.326 1.594 10 30 ADEEMO CC[N@@H+](CC[C@](C)(C#N)NC)C(C)C 45180189 573965025 /nfs/dbraw/zinc/96/50/25/573965025.db2.gz NXGQRABOGFNBAP-LLVKDONJSA-N 1 1 197.326 1.608 10 30 ADEEMO OCC[N@@H+](C[C@@H]1CO1)C1CCCCC1 42502799 573965027 /nfs/dbraw/zinc/96/50/27/573965027.db2.gz WGPPEDIURHPVSG-LLVKDONJSA-N 1 1 199.294 1.012 10 30 ADEEMO C[N@@H+](CC[C@](C)(N)C#N)CC(C)(C)C 45182753 573965068 /nfs/dbraw/zinc/96/50/68/573965068.db2.gz FCVOBGUKAFQBRG-NSHDSACASA-N 1 1 197.326 1.595 10 30 ADEEMO CCC[N@@H+](C[C@](C)(N)C#N)C(C)C 45175981 573965126 /nfs/dbraw/zinc/96/51/26/573965126.db2.gz OFYOYSQEMFBPOR-SNVBAGLBSA-N 1 1 183.299 1.348 10 30 ADEEMO CC(C)[N@H+](CCC#N)C[C@H]1CO1 42528634 573965153 /nfs/dbraw/zinc/96/51/53/573965153.db2.gz DBICHTQIFRZDBZ-VIFPVBQESA-N 1 1 168.240 1.009 10 30 ADEEMO CC(C)[N@@H+](CCC#N)C[C@H]1CO1 42528634 573965157 /nfs/dbraw/zinc/96/51/57/573965157.db2.gz DBICHTQIFRZDBZ-VIFPVBQESA-N 1 1 168.240 1.009 10 30 ADEEMO CC(C)COCCC[C@](C)([NH3+])C#N 45325858 573965216 /nfs/dbraw/zinc/96/52/16/573965216.db2.gz WXZXEMHJBKTHKR-JTQLQIEISA-N 1 1 184.283 1.680 10 30 ADEEMO C#CCC[N@@H+](CCC#N)C(C)C 42530735 573965247 /nfs/dbraw/zinc/96/52/47/573965247.db2.gz ZQOPJJNNAUYXAI-UHFFFAOYSA-N 1 1 164.252 1.634 10 30 ADEEMO CCC[N@@H+](C)CC[C@@](C)(C#N)NC 45179989 573965331 /nfs/dbraw/zinc/96/53/31/573965331.db2.gz ASZHZWYZMRWIRT-JTQLQIEISA-N 1 1 183.299 1.220 10 30 ADEEMO C=CC[C@@H]([NH3+])c1nc([C@H](C)OC)no1 127793633 573965350 /nfs/dbraw/zinc/96/53/50/573965350.db2.gz KBNZFVGFZNHLMQ-NKWVEPMBSA-N 1 1 197.238 1.353 10 30 ADEEMO CCC(CC)[N@@H+](CCO)CCCC#N 42505198 573966399 /nfs/dbraw/zinc/96/63/99/573966399.db2.gz WGQIOURMUBQFKP-UHFFFAOYSA-N 1 1 198.310 1.773 10 30 ADEEMO C#CC[C@H]([NH3+])c1nc(CCCC)no1 127792051 573966403 /nfs/dbraw/zinc/96/64/03/573966403.db2.gz FAKZQCXHMCXDIJ-QMMMGPOBSA-N 1 1 193.250 1.435 10 30 ADEEMO COC[C@H](C)[N@@H+](C)[C@@H]1CCC[C@@H]1C#N 42518217 573966533 /nfs/dbraw/zinc/96/65/33/573966533.db2.gz BPSSPONKHHFBRA-HBNTYKKESA-N 1 1 196.294 1.645 10 30 ADEEMO OCC[N@@H+](C[C@H]1CO1)C1CCCCC1 42502802 573966563 /nfs/dbraw/zinc/96/65/63/573966563.db2.gz WGPPEDIURHPVSG-NSHDSACASA-N 1 1 199.294 1.012 10 30 ADEEMO C[N@H+]1CCC[C@H](C/C=C\CC=O)C1 258191416 573966579 /nfs/dbraw/zinc/96/65/79/573966579.db2.gz MSTWSSCCCGMXHX-QUCGXOGASA-N 1 1 181.279 1.864 10 30 ADEEMO CCCC[NH+](CCCC)C[C@H](N)C#N 45308419 573966658 /nfs/dbraw/zinc/96/66/58/573966658.db2.gz CVAOPNLCWDRLHJ-LLVKDONJSA-N 1 1 197.326 1.739 10 30 ADEEMO CC(C)[N@@H+](CC/C(N)=N/O)CC1CC1 42529166 573966745 /nfs/dbraw/zinc/96/67/45/573966745.db2.gz KYVQJNLTBIFKFY-UHFFFAOYSA-N 1 1 199.298 1.243 10 30 ADEEMO C=CC[C@H]([NH3+])c1nc(COCC)no1 127789790 573966839 /nfs/dbraw/zinc/96/68/39/573966839.db2.gz WZPGICLJKPXFRW-ZETCQYMHSA-N 1 1 197.238 1.182 10 30 ADEEMO CC[N@H+](C[C@@H](C#N)NC)C1CCCC1 45310571 573966840 /nfs/dbraw/zinc/96/68/40/573966840.db2.gz LMUGGQMXYMDLKB-SNVBAGLBSA-N 1 1 195.310 1.362 10 30 ADEEMO CC[N@@H+](C[C@@H](C#N)NC)C1CCCC1 45310571 573966845 /nfs/dbraw/zinc/96/68/45/573966845.db2.gz LMUGGQMXYMDLKB-SNVBAGLBSA-N 1 1 195.310 1.362 10 30 ADEEMO C[C@H](C#N)C[N@@H+](CCO)C1CCCC1 42505836 573966911 /nfs/dbraw/zinc/96/69/11/573966911.db2.gz XSYAUKMVTQBSHI-SNVBAGLBSA-N 1 1 196.294 1.383 10 30 ADEEMO CC(C)[N@@H+](CCC#N)CC(C)(C)O 42529960 573967038 /nfs/dbraw/zinc/96/70/38/573967038.db2.gz LOXBCZMTHODCPG-UHFFFAOYSA-N 1 1 184.283 1.381 10 30 ADEEMO COCC[N@@H+](C1CC1)[C@@H](C)CC#N 42518266 573968257 /nfs/dbraw/zinc/96/82/57/573968257.db2.gz WONSTPJJHBDKBQ-VIFPVBQESA-N 1 1 182.267 1.399 10 30 ADEEMO COCC[N@H+](C1CC1)[C@@H](C)CC#N 42518266 573968260 /nfs/dbraw/zinc/96/82/60/573968260.db2.gz WONSTPJJHBDKBQ-VIFPVBQESA-N 1 1 182.267 1.399 10 30 ADEEMO CC(C)[N@@H+](CCC#N)C[C@H]1CCOC1 42530807 573968297 /nfs/dbraw/zinc/96/82/97/573968297.db2.gz VXRUAEWDAZXBRX-LLVKDONJSA-N 1 1 196.294 1.647 10 30 ADEEMO C[C@H](CC#N)[N@@H+](CCO)C1CCCC1 42505944 573968196 /nfs/dbraw/zinc/96/81/96/573968196.db2.gz QIIVRUPANIOBGK-SNVBAGLBSA-N 1 1 196.294 1.525 10 30 ADEEMO CCC[N@@H+](CC1CC1)C[C@@H](C#N)NC 45315576 573968207 /nfs/dbraw/zinc/96/82/07/573968207.db2.gz ZTCCJQGXNAMIKP-LLVKDONJSA-N 1 1 195.310 1.220 10 30 ADEEMO CCC[N@H+](CC1CC1)C[C@@H](C#N)NC 45315576 573968208 /nfs/dbraw/zinc/96/82/08/573968208.db2.gz ZTCCJQGXNAMIKP-LLVKDONJSA-N 1 1 195.310 1.220 10 30 ADEEMO CC(C)[N@@H+](CCCO)CCCCC#N 42504437 573968221 /nfs/dbraw/zinc/96/82/21/573968221.db2.gz JLAVTXIWFKZEQR-UHFFFAOYSA-N 1 1 198.310 1.773 10 30 ADEEMO C=CC[C@H]([NH3+])c1nc(C2(C)CC2)no1 127803407 573968321 /nfs/dbraw/zinc/96/83/21/573968321.db2.gz QGVRXPZASQWWLN-ZETCQYMHSA-N 1 1 193.250 1.697 10 30 ADEEMO CC[C@H](CC#N)[N@@H+](C)[C@@H](C)COC 42518210 573968375 /nfs/dbraw/zinc/96/83/75/573968375.db2.gz AGOLCACREZIQTC-VHSXEESVSA-N 1 1 184.283 1.645 10 30 ADEEMO CC(C)C[N@@H+](C[C@@H]1CO1)C1CC1 42556876 573969096 /nfs/dbraw/zinc/96/90/96/573969096.db2.gz MCAJZKAEEDZZHV-SNVBAGLBSA-N 1 1 169.268 1.506 10 30 ADEEMO CC[N@H+](C[C@H](N)C#N)C1CCCC1 45310564 573968518 /nfs/dbraw/zinc/96/85/18/573968518.db2.gz XKAUHOAVJQPITP-SECBINFHSA-N 1 1 181.283 1.102 10 30 ADEEMO CC[N@@H+](C[C@H](N)C#N)C1CCCC1 45310564 573968520 /nfs/dbraw/zinc/96/85/20/573968520.db2.gz XKAUHOAVJQPITP-SECBINFHSA-N 1 1 181.283 1.102 10 30 ADEEMO CC[C@H](C)OCCC[C@@](C)([NH3+])C#N 45330864 573968525 /nfs/dbraw/zinc/96/85/25/573968525.db2.gz GOFRXTXMWOATSQ-VHSXEESVSA-N 1 1 184.283 1.823 10 30 ADEEMO C#CC[C@@H]([NH3+])c1nc(CC2CC2)no1 127804842 573968534 /nfs/dbraw/zinc/96/85/34/573968534.db2.gz GWSWGEKOIXSNSK-MRVPVSSYSA-N 1 1 191.234 1.045 10 30 ADEEMO C=CC[C@@H]([NH3+])c1nc(CC2CC2)no1 127805278 573968647 /nfs/dbraw/zinc/96/86/47/573968647.db2.gz VNVAACMTISYZHZ-MRVPVSSYSA-N 1 1 193.250 1.598 10 30 ADEEMO C#CC[C@H]([NH3+])c1nc(CC2CC2)no1 127804602 573968834 /nfs/dbraw/zinc/96/88/34/573968834.db2.gz GWSWGEKOIXSNSK-QMMMGPOBSA-N 1 1 191.234 1.045 10 30 ADEEMO C#C[C@H](O)C(C)(C)C1=[NH+]CC(C)(C)C1 238229013 573973597 /nfs/dbraw/zinc/97/35/97/573973597.db2.gz DIRQQYIFWODSDP-JTQLQIEISA-N 1 1 193.290 1.878 10 30 ADEEMO CC(C)C[N@@H+](C[C@H]1CO1)C1CC1 42556879 573970572 /nfs/dbraw/zinc/97/05/72/573970572.db2.gz MCAJZKAEEDZZHV-JTQLQIEISA-N 1 1 169.268 1.506 10 30 ADEEMO CC[N@H+]1CCCC[C@@H]1C#CC=O 258192872 573970608 /nfs/dbraw/zinc/97/06/08/573970608.db2.gz MTUAZPOATPOWMJ-SNVBAGLBSA-N 1 1 165.236 1.063 10 30 ADEEMO CC[N@H+](C[C@@H](N)C#N)C1CCCC1 45310568 573970745 /nfs/dbraw/zinc/97/07/45/573970745.db2.gz XKAUHOAVJQPITP-VIFPVBQESA-N 1 1 181.283 1.102 10 30 ADEEMO CC[N@@H+](C[C@@H](N)C#N)C1CCCC1 45310568 573970747 /nfs/dbraw/zinc/97/07/47/573970747.db2.gz XKAUHOAVJQPITP-VIFPVBQESA-N 1 1 181.283 1.102 10 30 ADEEMO CCSCCC[C@@](C)([NH3+])C#N 45333452 573970795 /nfs/dbraw/zinc/97/07/95/573970795.db2.gz VQBZNWJVOMGTHI-MRVPVSSYSA-N 1 1 172.297 1.761 10 30 ADEEMO C=CC[C@@H]([NH3+])c1nc(C2(C)CC2)no1 127803186 573970916 /nfs/dbraw/zinc/97/09/16/573970916.db2.gz QGVRXPZASQWWLN-SSDOTTSWSA-N 1 1 193.250 1.697 10 30 ADEEMO CC[N@H+](C[C@H](C#N)NC)C1CCCC1 45310574 573970957 /nfs/dbraw/zinc/97/09/57/573970957.db2.gz LMUGGQMXYMDLKB-JTQLQIEISA-N 1 1 195.310 1.362 10 30 ADEEMO CC[N@@H+](C[C@H](C#N)NC)C1CCCC1 45310574 573970959 /nfs/dbraw/zinc/97/09/59/573970959.db2.gz LMUGGQMXYMDLKB-JTQLQIEISA-N 1 1 195.310 1.362 10 30 ADEEMO C[C@]([NH3+])(C#N)CCCOC1CCCC1 45326519 573971087 /nfs/dbraw/zinc/97/10/87/573971087.db2.gz YPSIQEDWIZTEQI-LLVKDONJSA-N 1 1 196.294 1.967 10 30 ADEEMO CCCCOCCC[C@@](C)([NH3+])C#N 45330328 573971152 /nfs/dbraw/zinc/97/11/52/573971152.db2.gz MEPVAXGWXBSKBZ-SNVBAGLBSA-N 1 1 184.283 1.824 10 30 ADEEMO C=C(CC=O)[C@@H]1CCC[N@H+](CC)C1 258193318 573971166 /nfs/dbraw/zinc/97/11/66/573971166.db2.gz MWLZBQJQEAQTJP-LLVKDONJSA-N 1 1 181.279 1.864 10 30 ADEEMO C=C(CC=O)[C@H]1CCC[N@H+](CC)C1 258193321 573971213 /nfs/dbraw/zinc/97/12/13/573971213.db2.gz MWLZBQJQEAQTJP-NSHDSACASA-N 1 1 181.279 1.864 10 30 ADEEMO Cc1[nH]c2c([nH+]1)CCC[C@H]2C#N 259590057 573971344 /nfs/dbraw/zinc/97/13/44/573971344.db2.gz BVQLPBCEABXVCH-ZETCQYMHSA-N 1 1 161.208 1.662 10 30 ADEEMO CCSCCC[C@](C)([NH3+])C#N 45333450 573971481 /nfs/dbraw/zinc/97/14/81/573971481.db2.gz VQBZNWJVOMGTHI-QMMMGPOBSA-N 1 1 172.297 1.761 10 30 ADEEMO CCCCOCCC[C@](C)([NH3+])C#N 45330325 573971622 /nfs/dbraw/zinc/97/16/22/573971622.db2.gz MEPVAXGWXBSKBZ-JTQLQIEISA-N 1 1 184.283 1.824 10 30 ADEEMO CC[C@H](C)OCCC[C@](C)([NH3+])C#N 45330858 573971745 /nfs/dbraw/zinc/97/17/45/573971745.db2.gz GOFRXTXMWOATSQ-UWVGGRQHSA-N 1 1 184.283 1.823 10 30 ADEEMO C[C@@]([NH3+])(C#N)CCCOCC1CC1 45326370 573971760 /nfs/dbraw/zinc/97/17/60/573971760.db2.gz YRFASZBCWLFDOT-JTQLQIEISA-N 1 1 182.267 1.434 10 30 ADEEMO C[N@@H+](C[C@@]1(C=O)CCOC1)C1CCC1 127823496 573972026 /nfs/dbraw/zinc/97/20/26/573972026.db2.gz BINKROWQOFSOFI-LLVKDONJSA-N 1 1 197.278 1.076 10 30 ADEEMO Cc1cnn(CCC[C@@](C)([NH3+])C#N)c1 45322184 573973195 /nfs/dbraw/zinc/97/31/95/573973195.db2.gz CSLPPSRINDVMRA-SNVBAGLBSA-N 1 1 192.266 1.213 10 30 ADEEMO C1CCC2(C1)CC[N@H+](C[C@@H]1CO1)C2 104391935 573973478 /nfs/dbraw/zinc/97/34/78/573973478.db2.gz CBKIIVMUEXROIL-SNVBAGLBSA-N 1 1 181.279 1.651 10 30 ADEEMO C#CC[C@@H]([NH3+])C(=O)O[C@@H](C)CC(C)C 127823932 573973509 /nfs/dbraw/zinc/97/35/09/573973509.db2.gz ORNNITMXWIHAJJ-VHSXEESVSA-N 1 1 197.278 1.315 10 30 ADEEMO C=CC[C@@H]([NH3+])C(=O)OC1CCCC1 127821205 573973579 /nfs/dbraw/zinc/97/35/79/573973579.db2.gz LPSPIVVKSZEZGN-SECBINFHSA-N 1 1 183.251 1.376 10 30 ADEEMO C#CC[C@H]([NH3+])C(=O)OC1CCCCC1 127820535 573973589 /nfs/dbraw/zinc/97/35/89/573973589.db2.gz CEHWMKYFLOOWLH-JTQLQIEISA-N 1 1 195.262 1.213 10 30 ADEEMO C#CC[C@H]([NH3+])C(=O)O[C@@H](C)CC(C)C 127824326 573973621 /nfs/dbraw/zinc/97/36/21/573973621.db2.gz ORNNITMXWIHAJJ-UWVGGRQHSA-N 1 1 197.278 1.315 10 30 ADEEMO Cc1[nH+]ccn1C[C@H](C#N)NC(C)C 45321612 573973738 /nfs/dbraw/zinc/97/37/38/573973738.db2.gz WDCNXPLCHLZFEE-JTQLQIEISA-N 1 1 192.266 1.082 10 30 ADEEMO C[N@@H+](C[C@]1(C=O)CCOC1)C1CCC1 127823279 573973793 /nfs/dbraw/zinc/97/37/93/573973793.db2.gz BINKROWQOFSOFI-NSHDSACASA-N 1 1 197.278 1.076 10 30 ADEEMO C=CC[C@H]([NH3+])C(=O)O[C@H](C)CC(C)C 127823271 573973833 /nfs/dbraw/zinc/97/38/33/573973833.db2.gz WTHMWVIEBRSTSA-ZJUUUORDSA-N 1 1 199.294 1.868 10 30 ADEEMO CCCC[N@@H+](C[C@@H](N)C#N)[C@@H](C)CC 45320795 573973834 /nfs/dbraw/zinc/97/38/34/573973834.db2.gz IQMVVECMXHRZOV-QWRGUYRKSA-N 1 1 197.326 1.738 10 30 ADEEMO C=CC[C@@H]([NH3+])C(=O)O[C@@H](C)CC(C)C 127823067 573974613 /nfs/dbraw/zinc/97/46/13/573974613.db2.gz WTHMWVIEBRSTSA-VHSXEESVSA-N 1 1 199.294 1.868 10 30 ADEEMO C#CC[C@H]([NH3+])C(=O)O[C@H](C)CC(C)C 127824116 573974099 /nfs/dbraw/zinc/97/40/99/573974099.db2.gz ORNNITMXWIHAJJ-ZJUUUORDSA-N 1 1 197.278 1.315 10 30 ADEEMO C=CC[C@H]([NH3+])C(=O)O[C@H](C)CC 127816850 573974157 /nfs/dbraw/zinc/97/41/57/573974157.db2.gz YKQHLLOMJIZFOZ-SFYZADRCSA-N 1 1 171.240 1.232 10 30 ADEEMO C[N@@H+](CC(C)(C)C=O)C1CCC1 127823786 573974328 /nfs/dbraw/zinc/97/43/28/573974328.db2.gz LVQUUSCWKSPBNU-UHFFFAOYSA-N 1 1 169.268 1.696 10 30 ADEEMO C=CC[C@H]([NH3+])C(=O)OC1CCCC1 127820985 573974338 /nfs/dbraw/zinc/97/43/38/573974338.db2.gz LPSPIVVKSZEZGN-VIFPVBQESA-N 1 1 183.251 1.376 10 30 ADEEMO N#CCCCCc1[nH]cc[nH+]1 104400309 573977576 /nfs/dbraw/zinc/97/75/76/573977576.db2.gz PVAUEMCDFABNLX-UHFFFAOYSA-N 1 1 149.197 1.646 10 30 ADEEMO CC(C)/C=[NH+]/C(C)(C)CO 238220596 573979039 /nfs/dbraw/zinc/97/90/39/573979039.db2.gz CPZQVYZNVJDCRB-WEVVVXLNSA-N 1 1 143.230 1.484 10 30 ADEEMO CC(C)[N@@H+](CC1CC1)C[C@@H]1CO1 42582204 573981463 /nfs/dbraw/zinc/98/14/63/573981463.db2.gz IEYUISYJUQRWLH-SNVBAGLBSA-N 1 1 169.268 1.506 10 30 ADEEMO C=CC[C@@H]([NH3+])C(=O)OCC(C)C 127832074 573981777 /nfs/dbraw/zinc/98/17/77/573981777.db2.gz RODDBYZRYZZHOR-MRVPVSSYSA-N 1 1 171.240 1.089 10 30 ADEEMO CC(C)C[N@@H+](C[C@@H]1CO1)C(C)C 42582198 573981930 /nfs/dbraw/zinc/98/19/30/573981930.db2.gz JCHARHAUCHRYKN-SNVBAGLBSA-N 1 1 171.284 1.752 10 30 ADEEMO C=CCNC[C@@H](C)[N@H+](C)C1CCC1 127954897 573983044 /nfs/dbraw/zinc/98/30/44/573983044.db2.gz QNUHSMGDYWHKCX-SNVBAGLBSA-N 1 1 182.311 1.635 10 30 ADEEMO C=CCNC[C@@H](C)[N@@H+](C)C1CCC1 127954897 573983047 /nfs/dbraw/zinc/98/30/47/573983047.db2.gz QNUHSMGDYWHKCX-SNVBAGLBSA-N 1 1 182.311 1.635 10 30 ADEEMO N#CC[C@@H]([NH3+])c1cncc(Cl)c1 104455303 573986806 /nfs/dbraw/zinc/98/68/06/573986806.db2.gz OOZNOUNYCZPZIE-MRVPVSSYSA-N 1 1 181.626 1.648 10 30 ADEEMO Cc1ccc([C@H]([NH3+])CC#N)c(C)n1 104456651 573988229 /nfs/dbraw/zinc/98/82/29/573988229.db2.gz ZMQLBBJURKTRIH-SNVBAGLBSA-N 1 1 175.235 1.612 10 30 ADEEMO C=CC[C@]1(O)CC[N@H+]2CCC[C@@H]21 123313016 573988567 /nfs/dbraw/zinc/98/85/67/573988567.db2.gz NDKJRMDZDCQUHA-ZJUUUORDSA-N 1 1 167.252 1.162 10 30 ADEEMO Cc1nc(F)ccc1[C@H]([NH3+])CC#N 104456235 573988922 /nfs/dbraw/zinc/98/89/22/573988922.db2.gz MOOUJPNNMJMUBE-MRVPVSSYSA-N 1 1 179.198 1.443 10 30 ADEEMO Cc1cncc([C@H]([NH3+])CC#N)c1 104456228 573989732 /nfs/dbraw/zinc/98/97/32/573989732.db2.gz UMRMKHUPVHFLGZ-SECBINFHSA-N 1 1 161.208 1.304 10 30 ADEEMO Cc1ncccc1[C@H]([NH3+])CC#N 104455720 573989854 /nfs/dbraw/zinc/98/98/54/573989854.db2.gz AYZLZTYWBBVRKJ-SECBINFHSA-N 1 1 161.208 1.304 10 30 ADEEMO CCCc1ccc([C@H]([NH3+])C=O)cc1 259592450 573989908 /nfs/dbraw/zinc/98/99/08/573989908.db2.gz ZWLLULFPLRXJHZ-LLVKDONJSA-N 1 1 177.247 1.838 10 30 ADEEMO CCCc1ccc([C@@H]([NH3+])C=O)cc1 259592454 573990011 /nfs/dbraw/zinc/99/00/11/573990011.db2.gz ZWLLULFPLRXJHZ-NSHDSACASA-N 1 1 177.247 1.838 10 30 ADEEMO N#CC[C@H]([NH3+])c1ccc(N)cc1Cl 104473841 573996256 /nfs/dbraw/zinc/99/62/56/573996256.db2.gz VCXVPFSQSBJTKS-VIFPVBQESA-N 1 1 195.653 1.836 10 30 ADEEMO Cc1cc(Cl)ncc1[C@@H]([NH3+])CC#N 104472989 573996357 /nfs/dbraw/zinc/99/63/57/573996357.db2.gz HWCFZYKJVFDMLV-QMMMGPOBSA-N 1 1 195.653 1.957 10 30 ADEEMO N#CC[C@H]([NH3+])c1cc(N)ccc1Cl 104474845 573996522 /nfs/dbraw/zinc/99/65/22/573996522.db2.gz MTIJQEIXGZVNSW-VIFPVBQESA-N 1 1 195.653 1.836 10 30 ADEEMO Cc1cc([C@H]([NH3+])CC#N)cc(Cl)n1 104472995 573996609 /nfs/dbraw/zinc/99/66/09/573996609.db2.gz MZHXGZZHXOIKLQ-MRVPVSSYSA-N 1 1 195.653 1.957 10 30 ADEEMO CC[N@H+]1CC[C@@H](C#N)C(C)(C)C1 259264860 573996659 /nfs/dbraw/zinc/99/66/59/573996659.db2.gz NGSLKUDBBHYSDI-VIFPVBQESA-N 1 1 166.268 1.878 10 30 ADEEMO Cc1cc([C@@H]([NH3+])CC#N)cc(Cl)n1 104472998 573996835 /nfs/dbraw/zinc/99/68/35/573996835.db2.gz MZHXGZZHXOIKLQ-QMMMGPOBSA-N 1 1 195.653 1.957 10 30 ADEEMO C=CC[N@H+](CC[C@H]([NH3+])CC)C1CC1 127943697 573996845 /nfs/dbraw/zinc/99/68/45/573996845.db2.gz IMMLPAAASXKBKW-SNVBAGLBSA-N 1 1 182.311 1.764 10 30 ADEEMO C=CCN(CC[C@H]([NH3+])CC)C1CC1 127943697 573996849 /nfs/dbraw/zinc/99/68/49/573996849.db2.gz IMMLPAAASXKBKW-SNVBAGLBSA-N 1 1 182.311 1.764 10 30 ADEEMO CC[N@H+]1CC[C@H](C#N)C(C)(C)C1 259264857 573996890 /nfs/dbraw/zinc/99/68/90/573996890.db2.gz NGSLKUDBBHYSDI-SECBINFHSA-N 1 1 166.268 1.878 10 30 ADEEMO N#CC[C@H]([NH3+])c1ccc(N)c(Cl)c1 104473831 573997079 /nfs/dbraw/zinc/99/70/79/573997079.db2.gz BJPQGBAENAQDPS-QMMMGPOBSA-N 1 1 195.653 1.836 10 30 ADEEMO Cc1cc(Cl)ncc1[C@H]([NH3+])CC#N 104472985 573997272 /nfs/dbraw/zinc/99/72/72/573997272.db2.gz HWCFZYKJVFDMLV-MRVPVSSYSA-N 1 1 195.653 1.957 10 30 ADEEMO CC(C)[N@@H+](C)CCCC[NH2+]CCC#N 45700745 573998854 /nfs/dbraw/zinc/99/88/54/573998854.db2.gz DYBCJOHEDYZJFV-UHFFFAOYSA-N 1 1 197.326 1.610 10 30 ADEEMO CC[N@H+]1CCC[C@](C)(C=O)C1 238237025 573999559 /nfs/dbraw/zinc/99/95/59/573999559.db2.gz AZRVALKVKDBEOY-VIFPVBQESA-N 1 1 155.241 1.307 10 30 ADEEMO CC(=O)[C@H]([NH3+])c1cccc(CC#N)c1 104488242 574003301 /nfs/dbraw/zinc/00/33/01/574003301.db2.gz BPFQTFBTKQMCPG-NSHDSACASA-N 1 1 188.230 1.341 10 30 ADEEMO C#Cc1c[nH+]c(N)cc1OCC 209777774 574006329 /nfs/dbraw/zinc/00/63/29/574006329.db2.gz SYEPENVOFYCINC-UHFFFAOYSA-N 1 1 162.192 1.044 10 30 ADEEMO CC(=O)[C@@H]([NH3+])c1cccc(CC#N)c1 104488245 574006348 /nfs/dbraw/zinc/00/63/48/574006348.db2.gz BPFQTFBTKQMCPG-LLVKDONJSA-N 1 1 188.230 1.341 10 30 ADEEMO Cc1cc(C)c([C@@H]([NH3+])C=O)c(C)c1 259271483 574009124 /nfs/dbraw/zinc/00/91/24/574009124.db2.gz IXYXPRMEVZROTQ-JTQLQIEISA-N 1 1 177.247 1.811 10 30 ADEEMO N#CCc1cc([C@@H]([NH3+])CC#N)cs1 104491950 574010019 /nfs/dbraw/zinc/01/00/19/574010019.db2.gz UVMBWKGUTHCMSH-VIFPVBQESA-N 1 1 191.259 1.728 10 30 ADEEMO C[N@@H+](CC(=O)CC#N)CC1CCC1 259272593 574010184 /nfs/dbraw/zinc/01/01/84/574010184.db2.gz RAZHZOGBEQSPDU-UHFFFAOYSA-N 1 1 180.251 1.201 10 30 ADEEMO C[N@H+](CC(=O)CC#N)CC1CCC1 259272593 574010189 /nfs/dbraw/zinc/01/01/89/574010189.db2.gz RAZHZOGBEQSPDU-UHFFFAOYSA-N 1 1 180.251 1.201 10 30 ADEEMO N#CC[C@H]([NH3+])c1ccc2c(c1)CCN2 104491520 574010342 /nfs/dbraw/zinc/01/03/42/574010342.db2.gz CCLCIKFKOBBLSC-JTQLQIEISA-N 1 1 187.246 1.568 10 30 ADEEMO COc1ccc([C@@H]([NH3+])CC#N)c(C)n1 104490194 574010645 /nfs/dbraw/zinc/01/06/45/574010645.db2.gz HXMBZAYHFFPXET-VIFPVBQESA-N 1 1 191.234 1.312 10 30 ADEEMO N#CC[C@H]([NH3+])c1ccc(=O)[nH]c1Cl 104496352 574012830 /nfs/dbraw/zinc/01/28/30/574012830.db2.gz GCXBPEMNBQLSQF-LURJTMIESA-N 1 1 197.625 1.354 10 30 ADEEMO N#CC[C@@H]([NH3+])c1c[nH]c(=O)c(Cl)c1 104496341 574014271 /nfs/dbraw/zinc/01/42/71/574014271.db2.gz RWRYQRNWSQUOBT-SSDOTTSWSA-N 1 1 197.625 1.354 10 30 ADEEMO N#CC[C@H]([NH3+])c1c[nH]c(=O)c(Cl)c1 104496345 574013728 /nfs/dbraw/zinc/01/37/28/574013728.db2.gz RWRYQRNWSQUOBT-ZETCQYMHSA-N 1 1 197.625 1.354 10 30 ADEEMO N#CC[C@H]([NH3+])c1ccc(C#N)c(F)c1 104498266 574013824 /nfs/dbraw/zinc/01/38/24/574013824.db2.gz LMVYEPWDSYTZEC-JTQLQIEISA-N 1 1 189.193 1.611 10 30 ADEEMO C=CCN1C[C@H]2C[N@H+](C3CC3)C[C@H]2C1 585382456 574013872 /nfs/dbraw/zinc/01/38/72/574013872.db2.gz NYVGSDVQUDVUOA-PHIMTYICSA-N 1 1 192.306 1.198 10 30 ADEEMO Cn1c(CCC#N)cn2cc[nH+]c12 259592742 574015488 /nfs/dbraw/zinc/01/54/88/574015488.db2.gz GCFBNBAHPWYTHV-UHFFFAOYSA-N 1 1 174.207 1.129 10 30 ADEEMO N#CCc1ccccc1[C@H]([NH3+])CC#N 104502219 574015743 /nfs/dbraw/zinc/01/57/43/574015743.db2.gz VIMWJJUWJGNOJY-LLVKDONJSA-N 1 1 185.230 1.666 10 30 ADEEMO Cc1cc([C@@H]([NH3+])CC#N)ccc1C#N 104501168 574017457 /nfs/dbraw/zinc/01/74/57/574017457.db2.gz WJKRRGLMOZGUND-NSHDSACASA-N 1 1 185.230 1.780 10 30 ADEEMO N#CC[C@H]([NH3+])c1cc(F)c(N)c(F)c1 104499640 574017565 /nfs/dbraw/zinc/01/75/65/574017565.db2.gz RMXPOWBIZOZADQ-QMMMGPOBSA-N 1 1 197.188 1.460 10 30 ADEEMO N#CC[C@@H]([NH3+])c1cnc(Cl)c(N)c1 104505919 574019224 /nfs/dbraw/zinc/01/92/24/574019224.db2.gz XYEAMYRXRMFZBB-ZCFIWIBFSA-N 1 1 196.641 1.231 10 30 ADEEMO COCC[N@H+]1CCC[C@@H](C#N)C1(C)C 259274672 574019573 /nfs/dbraw/zinc/01/95/73/574019573.db2.gz GEXOCEOJZQQNDQ-JTQLQIEISA-N 1 1 196.294 1.647 10 30 ADEEMO Cc1cc([C@H]([NH3+])CC#N)cs1 104512985 574023073 /nfs/dbraw/zinc/02/30/73/574023073.db2.gz YBZNACLRTNWKBZ-MRVPVSSYSA-N 1 1 166.249 1.970 10 30 ADEEMO N#Cc1cc([C@@H]2COCC[NH2+]2)cs1 104516633 574023386 /nfs/dbraw/zinc/02/33/86/574023386.db2.gz XGLRVAGRONRRLU-VIFPVBQESA-N 1 1 194.259 1.281 10 30 ADEEMO C[NH2+][C@H](C=O)c1ccc(Cl)s1 259278874 574024389 /nfs/dbraw/zinc/02/43/89/574024389.db2.gz IEUSQZNKLZUCBH-RXMQYKEDSA-N 1 1 189.667 1.861 10 30 ADEEMO Cc1[nH]c(=O)ccc1[C@H]([NH3+])CC#N 104523659 574024404 /nfs/dbraw/zinc/02/44/04/574024404.db2.gz VQZWEASJONOTNV-MRVPVSSYSA-N 1 1 177.207 1.009 10 30 ADEEMO Cc1cc([C@H]([NH3+])CC#N)ccn1 104522427 574024455 /nfs/dbraw/zinc/02/44/55/574024455.db2.gz FCNPEBSFKHBUSJ-SECBINFHSA-N 1 1 161.208 1.304 10 30 ADEEMO Cc1ccc([C@H]([NH3+])CC#N)cn1 104520005 574024509 /nfs/dbraw/zinc/02/45/09/574024509.db2.gz DUDAPHLCCFMXGH-SECBINFHSA-N 1 1 161.208 1.304 10 30 ADEEMO CC(=O)c1cccc([C@H]([NH3+])CC#N)c1 104517739 574024601 /nfs/dbraw/zinc/02/46/01/574024601.db2.gz JCKWUXDYGUWMRB-LLVKDONJSA-N 1 1 188.230 1.803 10 30 ADEEMO Cc1cc(=O)c([C@H]([NH3+])CC#N)c(C)[nH]1 104524052 574024645 /nfs/dbraw/zinc/02/46/45/574024645.db2.gz LOPHJIQRCOZHHE-MRVPVSSYSA-N 1 1 191.234 1.318 10 30 ADEEMO Cc1cc([C@H]([NH3+])CC#N)c[nH]c1=O 104523653 574024668 /nfs/dbraw/zinc/02/46/68/574024668.db2.gz JXABONDZWAXJJN-MRVPVSSYSA-N 1 1 177.207 1.009 10 30 ADEEMO CC(C)[C@@H](CN(C)C)[NH2+][C@H](C)CC#N 49205164 574025669 /nfs/dbraw/zinc/02/56/69/574025669.db2.gz LPJFULKZWYLFQY-GHMZBOCLSA-N 1 1 197.326 1.464 10 30 ADEEMO CC(C)[C@@H](CN(C)C)[NH2+]C[C@@H](C)C#N 49204796 574025683 /nfs/dbraw/zinc/02/56/83/574025683.db2.gz DWFNUAFALJZEQA-WDEREUQCSA-N 1 1 197.326 1.322 10 30 ADEEMO CC(C)[C@@H](CN(C)C)[NH2+][C@@H](C)CC#N 49205158 574025729 /nfs/dbraw/zinc/02/57/29/574025729.db2.gz LPJFULKZWYLFQY-WDEREUQCSA-N 1 1 197.326 1.464 10 30 ADEEMO Cc1ccncc1[C@H]([NH3+])CC#N 104519998 574025750 /nfs/dbraw/zinc/02/57/50/574025750.db2.gz QJKUQMUAYIVYCB-SECBINFHSA-N 1 1 161.208 1.304 10 30 ADEEMO CC(C)[C@H](CN(C)C)[NH2+][C@H](C)CC#N 49205167 574026269 /nfs/dbraw/zinc/02/62/69/574026269.db2.gz LPJFULKZWYLFQY-MNOVXSKESA-N 1 1 197.326 1.464 10 30 ADEEMO Cc1cc(O)ccc1[C@H]([NH3+])CC#N 104519042 574026594 /nfs/dbraw/zinc/02/65/94/574026594.db2.gz QNFPZRIPZFLMOS-SNVBAGLBSA-N 1 1 176.219 1.614 10 30 ADEEMO CC(C)[C@H](CN(C)C)[NH2+]CCC#N 49205597 574026606 /nfs/dbraw/zinc/02/66/06/574026606.db2.gz MUICDIRIKHUVIE-JTQLQIEISA-N 1 1 183.299 1.076 10 30 ADEEMO N#CC[C@@H]([NH3+])c1ccnc(Cl)c1 104519822 574026620 /nfs/dbraw/zinc/02/66/20/574026620.db2.gz MPPBKNGOBJSFAQ-SSDOTTSWSA-N 1 1 181.626 1.648 10 30 ADEEMO CC(C)[C@H](CN(C)C)[NH2+]C[C@H](C)C#N 49204807 574026814 /nfs/dbraw/zinc/02/68/14/574026814.db2.gz DWFNUAFALJZEQA-MNOVXSKESA-N 1 1 197.326 1.322 10 30 ADEEMO CC(C)[C@@H](CN(C)C)[NH2+]C[C@H](C)C#N 49204803 574027339 /nfs/dbraw/zinc/02/73/39/574027339.db2.gz DWFNUAFALJZEQA-GHMZBOCLSA-N 1 1 197.326 1.322 10 30 ADEEMO CC(C)[C@@H](CN(C)C)[NH2+]CCC#N 49205594 574027373 /nfs/dbraw/zinc/02/73/73/574027373.db2.gz MUICDIRIKHUVIE-SNVBAGLBSA-N 1 1 183.299 1.076 10 30 ADEEMO CC1(C)CC[C@@]([NH3+])(C#N)C1 87772637 574027393 /nfs/dbraw/zinc/02/73/93/574027393.db2.gz YAJCBQVLWCEMOE-QMMMGPOBSA-N 1 1 138.214 1.418 10 30 ADEEMO C[NH2+][C@H](S)c1cc[nH]c1 259286361 574030857 /nfs/dbraw/zinc/03/08/57/574030857.db2.gz IMQKPSNWIVACNJ-ZCFIWIBFSA-N 1 1 142.227 1.163 10 30 ADEEMO C[N@H+]1CC[C@H](C(=O)C2(C#N)CCC2)C1 259289677 574035833 /nfs/dbraw/zinc/03/58/33/574035833.db2.gz VPJPSIXWAGJIST-VIFPVBQESA-N 1 1 192.262 1.201 10 30 ADEEMO C[N@H+]1CC[C@@H](C(=O)C2(C#N)CCC2)C1 259289675 574036245 /nfs/dbraw/zinc/03/62/45/574036245.db2.gz VPJPSIXWAGJIST-SECBINFHSA-N 1 1 192.262 1.201 10 30 ADEEMO CN(CC#N)[C@@H]1CC[N@H+](C(C)(C)C)C1 259291363 574037525 /nfs/dbraw/zinc/03/75/25/574037525.db2.gz KYYAUEGLHKMNSQ-SNVBAGLBSA-N 1 1 195.310 1.315 10 30 ADEEMO C[N@H+]1CC[C@H](CC(C)(C)C#N)C1 259291252 574037656 /nfs/dbraw/zinc/03/76/56/574037656.db2.gz ZYLSREDYSDIWMD-SECBINFHSA-N 1 1 166.268 1.878 10 30 ADEEMO C[N@H+]1CC[C@H](CC#N)C(C)(C)C1 259290467 574037729 /nfs/dbraw/zinc/03/77/29/574037729.db2.gz OZNMXNUMXCRLGN-VIFPVBQESA-N 1 1 166.268 1.878 10 30 ADEEMO C[N@H+]1CC[C@@H](CC#N)C(C)(C)C1 259290465 574037858 /nfs/dbraw/zinc/03/78/58/574037858.db2.gz OZNMXNUMXCRLGN-SECBINFHSA-N 1 1 166.268 1.878 10 30 ADEEMO C#CC[NH2+][C@@H](CN)C1(C(C)C)CCC1 686133913 574040640 /nfs/dbraw/zinc/04/06/40/574040640.db2.gz RSSXVEIUMHVPDK-NSHDSACASA-N 1 1 194.322 1.363 10 30 ADEEMO C#CC[NH2+][C@H](CN)C1(C(C)C)CCC1 686133911 574042968 /nfs/dbraw/zinc/04/29/68/574042968.db2.gz RSSXVEIUMHVPDK-LLVKDONJSA-N 1 1 194.322 1.363 10 30 ADEEMO CC(C)[N@H+]1CCC[C@@H](N(C)CC#N)C1 259301484 574046767 /nfs/dbraw/zinc/04/67/67/574046767.db2.gz LQBQFMURPJXNTO-LLVKDONJSA-N 1 1 195.310 1.315 10 30 ADEEMO C[N@H+](CCC1CCC1)CC(=O)CC#N 259299679 574046098 /nfs/dbraw/zinc/04/60/98/574046098.db2.gz UEAFTADTAASAAO-UHFFFAOYSA-N 1 1 194.278 1.591 10 30 ADEEMO C[N@@H+](CCC1CCC1)CC(=O)CC#N 259299679 574046101 /nfs/dbraw/zinc/04/61/01/574046101.db2.gz UEAFTADTAASAAO-UHFFFAOYSA-N 1 1 194.278 1.591 10 30 ADEEMO CC(C)[N@H+]1CCC[C@H](N(C)CC#N)C1 259301487 574047290 /nfs/dbraw/zinc/04/72/90/574047290.db2.gz LQBQFMURPJXNTO-NSHDSACASA-N 1 1 195.310 1.315 10 30 ADEEMO C=CC[N@H+](C1CC1)C1COC1 17753746 486712030 /nfs/dbraw/zinc/71/20/30/486712030.db2.gz DFAUYCPWJFXUFM-UHFFFAOYSA-N 1 1 153.225 1.036 10 30 ADEEMO C=CC[N@@H+](C1CC1)C1COC1 17753746 486712031 /nfs/dbraw/zinc/71/20/31/486712031.db2.gz DFAUYCPWJFXUFM-UHFFFAOYSA-N 1 1 153.225 1.036 10 30 ADEEMO C=CCCC[N@H+]1CC(=O)N(C)[C@H](C)C1 669700215 486733094 /nfs/dbraw/zinc/73/30/94/486733094.db2.gz BLGMSTQEVCMUCY-SNVBAGLBSA-N 1 1 196.294 1.115 10 30 ADEEMO C=CCCC[N@H+]1CC(=O)N(C)[C@@H](C)C1 669700214 486733141 /nfs/dbraw/zinc/73/31/41/486733141.db2.gz BLGMSTQEVCMUCY-JTQLQIEISA-N 1 1 196.294 1.115 10 30 ADEEMO C=CCCC[N@@H+]1C[C@H]2COC[C@@H](C1)O2 669943660 486734582 /nfs/dbraw/zinc/73/45/82/486734582.db2.gz WFSXCZOSJBJFLK-PHIMTYICSA-N 1 1 197.278 1.052 10 30 ADEEMO C=C(C)C[N@H+](C)CCc1ccnn1C 670085304 486736466 /nfs/dbraw/zinc/73/64/66/486736466.db2.gz CCOUFWRXGXQWPH-UHFFFAOYSA-N 1 1 193.294 1.471 10 30 ADEEMO CCC#C[C@H](C)[N@@H+]1CC[C@@](F)(CO)C1 670112584 486736723 /nfs/dbraw/zinc/73/67/23/486736723.db2.gz BRXMYXSCHVKPEQ-QWRGUYRKSA-N 1 1 199.269 1.195 10 30 ADEEMO CCC#C[C@H](C)[N@H+]1CC[C@@](F)(CO)C1 670112584 486736727 /nfs/dbraw/zinc/73/67/27/486736727.db2.gz BRXMYXSCHVKPEQ-QWRGUYRKSA-N 1 1 199.269 1.195 10 30 ADEEMO C=CC[N@H+](C)CCc1ccnn1CC 670088364 486737127 /nfs/dbraw/zinc/73/71/27/486737127.db2.gz VYKKSLJCECCRMF-UHFFFAOYSA-N 1 1 193.294 1.563 10 30 ADEEMO CCC#C[C@H](C)[N@@H+]1CC[C@](F)(CO)C1 670112585 486737349 /nfs/dbraw/zinc/73/73/49/486737349.db2.gz BRXMYXSCHVKPEQ-WDEREUQCSA-N 1 1 199.269 1.195 10 30 ADEEMO CCC#C[C@H](C)[N@H+]1CC[C@](F)(CO)C1 670112585 486737355 /nfs/dbraw/zinc/73/73/55/486737355.db2.gz BRXMYXSCHVKPEQ-WDEREUQCSA-N 1 1 199.269 1.195 10 30 ADEEMO CCC#C[C@@H](C)[N@@H+]1CC[C@@](F)(CO)C1 670112583 486737379 /nfs/dbraw/zinc/73/73/79/486737379.db2.gz BRXMYXSCHVKPEQ-MNOVXSKESA-N 1 1 199.269 1.195 10 30 ADEEMO CCC#C[C@@H](C)[N@H+]1CC[C@@](F)(CO)C1 670112583 486737381 /nfs/dbraw/zinc/73/73/81/486737381.db2.gz BRXMYXSCHVKPEQ-MNOVXSKESA-N 1 1 199.269 1.195 10 30 ADEEMO CCC#C[C@@H](C)[N@@H+]1CC[C@](F)(CO)C1 670112582 486737489 /nfs/dbraw/zinc/73/74/89/486737489.db2.gz BRXMYXSCHVKPEQ-GHMZBOCLSA-N 1 1 199.269 1.195 10 30 ADEEMO CCC#C[C@@H](C)[N@H+]1CC[C@](F)(CO)C1 670112582 486737492 /nfs/dbraw/zinc/73/74/92/486737492.db2.gz BRXMYXSCHVKPEQ-GHMZBOCLSA-N 1 1 199.269 1.195 10 30 ADEEMO C=C(C)C[N@@H+](CC)C[C@@H](O)C(C)C 670989695 486742013 /nfs/dbraw/zinc/74/20/13/486742013.db2.gz DYOXIKRFUODVHC-LLVKDONJSA-N 1 1 185.311 1.901 10 30 ADEEMO C=C(C)C[N@@H+](CC)C[C@H](O)C(C)C 670989696 486742052 /nfs/dbraw/zinc/74/20/52/486742052.db2.gz DYOXIKRFUODVHC-NSHDSACASA-N 1 1 185.311 1.901 10 30 ADEEMO C=CCN(C)CC#CC[N@H+](C)CC=C 671243616 486745391 /nfs/dbraw/zinc/74/53/91/486745391.db2.gz VCVFJECGBUOMCF-UHFFFAOYSA-N 1 1 192.306 1.225 10 30 ADEEMO C=CCN(C)CC#CC[N@@H+](C)CC=C 671243616 486745395 /nfs/dbraw/zinc/74/53/95/486745395.db2.gz VCVFJECGBUOMCF-UHFFFAOYSA-N 1 1 192.306 1.225 10 30 ADEEMO CC#CC[N@H+]1CC[C@@]2(CCCOC2)C1 671253922 486746018 /nfs/dbraw/zinc/74/60/18/486746018.db2.gz OMMXSPLADIWBHT-LBPRGKRZSA-N 1 1 193.290 1.512 10 30 ADEEMO CC#CC[N@H+]1CCCCC[C@@H]1CCO 671246696 486746227 /nfs/dbraw/zinc/74/62/27/486746227.db2.gz NITHZDDGCGUMLA-GFCCVEGCSA-N 1 1 195.306 1.637 10 30 ADEEMO CC#CC[N@H+]1CC[C@]2(CCCOC2)C1 671253917 486746483 /nfs/dbraw/zinc/74/64/83/486746483.db2.gz OMMXSPLADIWBHT-GFCCVEGCSA-N 1 1 193.290 1.512 10 30 ADEEMO CC#CC[N@H+]1CCCCC[C@H]1CCO 671246697 486746897 /nfs/dbraw/zinc/74/68/97/486746897.db2.gz NITHZDDGCGUMLA-LBPRGKRZSA-N 1 1 195.306 1.637 10 30 ADEEMO C=CC[N@H+](C)CCc1cnn(CC)c1 671627258 486749569 /nfs/dbraw/zinc/74/95/69/486749569.db2.gz BNFWUSYZKLFMRW-UHFFFAOYSA-N 1 1 193.294 1.563 10 30 ADEEMO CCC#C[C@H](C)[N@@H+](CCO)CC1CC1 671701649 486753286 /nfs/dbraw/zinc/75/32/86/486753286.db2.gz FPUKYVDFQZDYSX-NSHDSACASA-N 1 1 195.306 1.493 10 30 ADEEMO CCC#C[C@@H](C)[N@@H+](CCO)CC1CC1 671701648 486753626 /nfs/dbraw/zinc/75/36/26/486753626.db2.gz FPUKYVDFQZDYSX-LLVKDONJSA-N 1 1 195.306 1.493 10 30 ADEEMO CC#CCCN1CC[N@H+](CC)C[C@@H]1C 671716876 486753881 /nfs/dbraw/zinc/75/38/81/486753881.db2.gz CCAADSONCZQKKI-LBPRGKRZSA-N 1 1 194.322 1.426 10 30 ADEEMO CC#CCC[N@H+]1CCN(CC)C[C@@H]1C 671716876 486753886 /nfs/dbraw/zinc/75/38/86/486753886.db2.gz CCAADSONCZQKKI-LBPRGKRZSA-N 1 1 194.322 1.426 10 30 ADEEMO CC#CCC[N@@H+]1CCN(CC)C[C@@H]1C 671716876 486753890 /nfs/dbraw/zinc/75/38/90/486753890.db2.gz CCAADSONCZQKKI-LBPRGKRZSA-N 1 1 194.322 1.426 10 30 ADEEMO CC#CCCN1CC[N@H+](CC)C[C@H]1C 671716875 486753926 /nfs/dbraw/zinc/75/39/26/486753926.db2.gz CCAADSONCZQKKI-GFCCVEGCSA-N 1 1 194.322 1.426 10 30 ADEEMO CC#CCC[N@H+]1CCN(CC)C[C@H]1C 671716875 486753931 /nfs/dbraw/zinc/75/39/31/486753931.db2.gz CCAADSONCZQKKI-GFCCVEGCSA-N 1 1 194.322 1.426 10 30 ADEEMO CC#CCC[N@@H+]1CCN(CC)C[C@H]1C 671716875 486753936 /nfs/dbraw/zinc/75/39/36/486753936.db2.gz CCAADSONCZQKKI-GFCCVEGCSA-N 1 1 194.322 1.426 10 30 ADEEMO C=C(C)CC[N@@H+]1CCN(CC)C[C@@H]1C 671716510 486754658 /nfs/dbraw/zinc/75/46/58/486754658.db2.gz MHDLHYUZQWKFLZ-LBPRGKRZSA-N 1 1 196.338 1.979 10 30 ADEEMO C=C(C)CCN1CC[N@@H+](CC)C[C@@H]1C 671716510 486754661 /nfs/dbraw/zinc/75/46/61/486754661.db2.gz MHDLHYUZQWKFLZ-LBPRGKRZSA-N 1 1 196.338 1.979 10 30 ADEEMO C=C(C)CCN1CC[N@H+](CC)C[C@@H]1C 671716510 486754666 /nfs/dbraw/zinc/75/46/66/486754666.db2.gz MHDLHYUZQWKFLZ-LBPRGKRZSA-N 1 1 196.338 1.979 10 30 ADEEMO C=C(C)CC[N@@H+]1CCN(CC)C[C@H]1C 671716509 486754807 /nfs/dbraw/zinc/75/48/07/486754807.db2.gz MHDLHYUZQWKFLZ-GFCCVEGCSA-N 1 1 196.338 1.979 10 30 ADEEMO C=C(C)CCN1CC[N@@H+](CC)C[C@H]1C 671716509 486754809 /nfs/dbraw/zinc/75/48/09/486754809.db2.gz MHDLHYUZQWKFLZ-GFCCVEGCSA-N 1 1 196.338 1.979 10 30 ADEEMO C=C(C)CCN1CC[N@H+](CC)C[C@H]1C 671716509 486754813 /nfs/dbraw/zinc/75/48/13/486754813.db2.gz MHDLHYUZQWKFLZ-GFCCVEGCSA-N 1 1 196.338 1.979 10 30 ADEEMO C=CCCC[C@H](C)[N@@H+](C)CCC(N)=O 671734623 486755587 /nfs/dbraw/zinc/75/55/87/486755587.db2.gz WEKFJJQOPNLPRV-JTQLQIEISA-N 1 1 198.310 1.538 10 30 ADEEMO C=CCCC[C@@H](C)[N@@H+](C)CCC(N)=O 671734624 486755825 /nfs/dbraw/zinc/75/58/25/486755825.db2.gz WEKFJJQOPNLPRV-SNVBAGLBSA-N 1 1 198.310 1.538 10 30 ADEEMO CC#CCC[N@H+](C)C1CC(OCC)C1 672573816 486770209 /nfs/dbraw/zinc/77/02/09/486770209.db2.gz DZDVWBDRMDOGIJ-UHFFFAOYSA-N 1 1 195.306 1.899 10 30 ADEEMO C=C(C)CC[N@@H+](C)Cc1nncn1C 672574938 486770309 /nfs/dbraw/zinc/77/03/09/486770309.db2.gz HBFOHXLOSOBASY-UHFFFAOYSA-N 1 1 194.282 1.213 10 30 ADEEMO C=C(C)CC[N@H+](C)Cc1nncn1C 672574938 486770314 /nfs/dbraw/zinc/77/03/14/486770314.db2.gz HBFOHXLOSOBASY-UHFFFAOYSA-N 1 1 194.282 1.213 10 30 ADEEMO C=C(C)C[N@H+](CC)CCOCC 673082122 486772355 /nfs/dbraw/zinc/77/23/55/486772355.db2.gz DDWSVFDXOUEVLV-UHFFFAOYSA-N 1 1 171.284 1.921 10 30 ADEEMO C=C(C)C[N@H+](C)C1CCOCC1 673755492 486777782 /nfs/dbraw/zinc/77/77/82/486777782.db2.gz OJGHYYHYBVQVGN-UHFFFAOYSA-N 1 1 169.268 1.673 10 30 ADEEMO C=CCN1CC[C@@H](C[N@H+](C)CCC)C1 673914843 486781007 /nfs/dbraw/zinc/78/10/07/486781007.db2.gz DKISXNYNDPTQSS-LBPRGKRZSA-N 1 1 196.338 1.836 10 30 ADEEMO C=CCN1CC[C@H](C[N@H+](C)CCC)C1 673914842 486781224 /nfs/dbraw/zinc/78/12/24/486781224.db2.gz DKISXNYNDPTQSS-GFCCVEGCSA-N 1 1 196.338 1.836 10 30 ADEEMO C=C(C)C[N@H+](C)Cc1cn[nH]c1 673926864 486782302 /nfs/dbraw/zinc/78/23/02/486782302.db2.gz AIDCUQQOFKZTDP-UHFFFAOYSA-N 1 1 165.240 1.418 10 30 ADEEMO C=C(C)C[N@H+](C)C[C@@H](C)COC 674012014 486786023 /nfs/dbraw/zinc/78/60/23/486786023.db2.gz PAIUYIUWLXKUBK-SNVBAGLBSA-N 1 1 171.284 1.777 10 30 ADEEMO C=C(C)C[N@H+](C)C[C@H](C)COC 674012010 486786391 /nfs/dbraw/zinc/78/63/91/486786391.db2.gz PAIUYIUWLXKUBK-JTQLQIEISA-N 1 1 171.284 1.777 10 30 ADEEMO C=CCC[N@H+](CCO)C(C)C 70595456 486787583 /nfs/dbraw/zinc/78/75/83/486787583.db2.gz CJEIRVAXYRRRSQ-UHFFFAOYSA-N 1 1 157.257 1.265 10 30 ADEEMO C=CCCC[N@H+](CCO)C(C)C 70595455 486787816 /nfs/dbraw/zinc/78/78/16/486787816.db2.gz FBZRIVVIFPOWEH-UHFFFAOYSA-N 1 1 171.284 1.655 10 30 ADEEMO C=CCCC[N@H+](C)Cc1cnccn1 674252631 486791017 /nfs/dbraw/zinc/79/10/17/486791017.db2.gz ZXNKZZKRXJOWCZ-UHFFFAOYSA-N 1 1 191.278 1.875 10 30 ADEEMO C=CC[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C 674305924 486793175 /nfs/dbraw/zinc/79/31/75/486793175.db2.gz TUPDWDOPFBTZIN-NEPJUHHUSA-N 1 1 196.338 1.835 10 30 ADEEMO C=CC[N@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C 674305924 486793179 /nfs/dbraw/zinc/79/31/79/486793179.db2.gz TUPDWDOPFBTZIN-NEPJUHHUSA-N 1 1 196.338 1.835 10 30 ADEEMO C=CC[N@@H+](C)[C@H]1CCN(CC)C[C@H]1C 674305924 486793181 /nfs/dbraw/zinc/79/31/81/486793181.db2.gz TUPDWDOPFBTZIN-NEPJUHHUSA-N 1 1 196.338 1.835 10 30 ADEEMO C=CC[N@H+](C)[C@H]1CCN(CC)C[C@H]1C 674305924 486793185 /nfs/dbraw/zinc/79/31/85/486793185.db2.gz TUPDWDOPFBTZIN-NEPJUHHUSA-N 1 1 196.338 1.835 10 30 ADEEMO C=CC[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C 674305925 486793601 /nfs/dbraw/zinc/79/36/01/486793601.db2.gz TUPDWDOPFBTZIN-NWDGAFQWSA-N 1 1 196.338 1.835 10 30 ADEEMO C=CC[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C 674305925 486793607 /nfs/dbraw/zinc/79/36/07/486793607.db2.gz TUPDWDOPFBTZIN-NWDGAFQWSA-N 1 1 196.338 1.835 10 30 ADEEMO C=CC[N@@H+](C)[C@@H]1CCN(CC)C[C@@H]1C 674305925 486793612 /nfs/dbraw/zinc/79/36/12/486793612.db2.gz TUPDWDOPFBTZIN-NWDGAFQWSA-N 1 1 196.338 1.835 10 30 ADEEMO C=CC[N@H+](C)[C@@H]1CCN(CC)C[C@@H]1C 674305925 486793616 /nfs/dbraw/zinc/79/36/16/486793616.db2.gz TUPDWDOPFBTZIN-NWDGAFQWSA-N 1 1 196.338 1.835 10 30 ADEEMO C=CC[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C 674305927 486793992 /nfs/dbraw/zinc/79/39/92/486793992.db2.gz TUPDWDOPFBTZIN-VXGBXAGGSA-N 1 1 196.338 1.835 10 30 ADEEMO C=CC[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C 674305927 486794001 /nfs/dbraw/zinc/79/40/01/486794001.db2.gz TUPDWDOPFBTZIN-VXGBXAGGSA-N 1 1 196.338 1.835 10 30 ADEEMO C=CC[N@@H+](C)[C@@H]1CCN(CC)C[C@H]1C 674305927 486794005 /nfs/dbraw/zinc/79/40/05/486794005.db2.gz TUPDWDOPFBTZIN-VXGBXAGGSA-N 1 1 196.338 1.835 10 30 ADEEMO C=CC[N@H+](C)[C@@H]1CCN(CC)C[C@H]1C 674305927 486794010 /nfs/dbraw/zinc/79/40/10/486794010.db2.gz TUPDWDOPFBTZIN-VXGBXAGGSA-N 1 1 196.338 1.835 10 30 ADEEMO C=CC[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C 674305926 486794089 /nfs/dbraw/zinc/79/40/89/486794089.db2.gz TUPDWDOPFBTZIN-RYUDHWBXSA-N 1 1 196.338 1.835 10 30 ADEEMO C=CC[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C 674305926 486794094 /nfs/dbraw/zinc/79/40/94/486794094.db2.gz TUPDWDOPFBTZIN-RYUDHWBXSA-N 1 1 196.338 1.835 10 30 ADEEMO C=CC[N@@H+](C)[C@H]1CCN(CC)C[C@@H]1C 674305926 486794098 /nfs/dbraw/zinc/79/40/98/486794098.db2.gz TUPDWDOPFBTZIN-RYUDHWBXSA-N 1 1 196.338 1.835 10 30 ADEEMO C=CC[N@H+](C)[C@H]1CCN(CC)C[C@@H]1C 674305926 486794101 /nfs/dbraw/zinc/79/41/01/486794101.db2.gz TUPDWDOPFBTZIN-RYUDHWBXSA-N 1 1 196.338 1.835 10 30 ADEEMO C=CCCC[N@H+](C)Cc1cncn1C 674370408 486795986 /nfs/dbraw/zinc/79/59/86/486795986.db2.gz HFTVFMRQYDTAHQ-UHFFFAOYSA-N 1 1 193.294 1.818 10 30 ADEEMO C=C(C)C[N@@H+](CC)Cc1nccn1C 674782571 486811646 /nfs/dbraw/zinc/81/16/46/486811646.db2.gz PVRMWJQPIAPTKL-UHFFFAOYSA-N 1 1 193.294 1.818 10 30 ADEEMO C=C(C)C[N@H+](CC)Cc1nccn1C 674782571 486811651 /nfs/dbraw/zinc/81/16/51/486811651.db2.gz PVRMWJQPIAPTKL-UHFFFAOYSA-N 1 1 193.294 1.818 10 30 ADEEMO CC#CC[N@H+]1CC[C@@H](C(C)C)C1 674867976 486819165 /nfs/dbraw/zinc/81/91/65/486819165.db2.gz KQWGFTPNHQTLLN-LLVKDONJSA-N 1 1 165.280 1.988 10 30 ADEEMO CC#CC[N@H+]1CC[C@H](C(C)C)C1 674867977 486819381 /nfs/dbraw/zinc/81/93/81/486819381.db2.gz KQWGFTPNHQTLLN-NSHDSACASA-N 1 1 165.280 1.988 10 30 ADEEMO C=CCCC[N@@H+](C)Cc1nnc(C)[nH]1 674909860 486822177 /nfs/dbraw/zinc/82/21/77/486822177.db2.gz WFSGKSKFAIFPJE-UHFFFAOYSA-N 1 1 194.282 1.511 10 30 ADEEMO C=CCCC[N@H+](C)Cc1nnc(C)[nH]1 674909860 486822180 /nfs/dbraw/zinc/82/21/80/486822180.db2.gz WFSGKSKFAIFPJE-UHFFFAOYSA-N 1 1 194.282 1.511 10 30 ADEEMO C=C(C)C[N@H+](C)CC(C)(C)OC 675199853 486831069 /nfs/dbraw/zinc/83/10/69/486831069.db2.gz IANZIBVNCNHQJT-UHFFFAOYSA-N 1 1 171.284 1.919 10 30 ADEEMO CC#CC[N@H+](C)CC(C)(C)OC 675199851 486831120 /nfs/dbraw/zinc/83/11/20/486831120.db2.gz HTURKMGPVJOPIP-UHFFFAOYSA-N 1 1 169.268 1.367 10 30 ADEEMO C=C(C)C[N@H+](C)CCOC(C)C 675552465 486843712 /nfs/dbraw/zinc/84/37/12/486843712.db2.gz DRNHHPGSBSQHDV-UHFFFAOYSA-N 1 1 171.284 1.919 10 30 ADEEMO CC#CC[N@@H+](C)CCOC(C)C 675552476 486843830 /nfs/dbraw/zinc/84/38/30/486843830.db2.gz FLRRCRFVPCAHCT-UHFFFAOYSA-N 1 1 169.268 1.367 10 30 ADEEMO C=CCC[N@@H+]1CCNCC1(C)C 83842668 486844239 /nfs/dbraw/zinc/84/42/39/486844239.db2.gz DPTJBVPCJMUTFB-UHFFFAOYSA-N 1 1 168.284 1.246 10 30 ADEEMO C=CCCN1CC[NH2+]CC1(C)C 83842668 486844247 /nfs/dbraw/zinc/84/42/47/486844247.db2.gz DPTJBVPCJMUTFB-UHFFFAOYSA-N 1 1 168.284 1.246 10 30 ADEEMO C=CC[NH2+]Cc1ncnn1C(C)C 83977223 486851601 /nfs/dbraw/zinc/85/16/01/486851601.db2.gz ASJIRZUZGKTBRF-UHFFFAOYSA-N 1 1 180.255 1.135 10 30 ADEEMO C=CC[N@@H+](C)CCOC(C)(C)C 676041324 486854511 /nfs/dbraw/zinc/85/45/11/486854511.db2.gz FSFZFWSROAXSCU-UHFFFAOYSA-N 1 1 171.284 1.919 10 30 ADEEMO CC#CC[N@@H+](C)CCOC(C)(C)C 676042280 486855424 /nfs/dbraw/zinc/85/54/24/486855424.db2.gz HYRBMROLABHQOQ-UHFFFAOYSA-N 1 1 183.295 1.757 10 30 ADEEMO C=CCCC[N@H+](C)[C@H](C)C(=O)N(C)C 676483427 486862554 /nfs/dbraw/zinc/86/25/54/486862554.db2.gz BJTIAWRPWIGTCX-SNVBAGLBSA-N 1 1 198.310 1.361 10 30 ADEEMO C=CCCC[N@H+](C)[C@@H](C)C(=O)N(C)C 676483425 486863344 /nfs/dbraw/zinc/86/33/44/486863344.db2.gz BJTIAWRPWIGTCX-JTQLQIEISA-N 1 1 198.310 1.361 10 30 ADEEMO C=C(C)[C@H](CO)[N@@H+](C)C[C@H]1CCCO1 677048161 486875359 /nfs/dbraw/zinc/87/53/59/486875359.db2.gz OHOVYONAUDNVIR-MNOVXSKESA-N 1 1 199.294 1.034 10 30 ADEEMO C=C(C)[C@@H](CO)[N@@H+](C)C[C@H]1CCCO1 677048160 486875584 /nfs/dbraw/zinc/87/55/84/486875584.db2.gz OHOVYONAUDNVIR-GHMZBOCLSA-N 1 1 199.294 1.034 10 30 ADEEMO C=C(C)[C@@H](CO)[N@@H+]1C[C@@H](C)C[C@@H](C)C1 677046660 486875804 /nfs/dbraw/zinc/87/58/04/486875804.db2.gz FVQWSNZOBNBQFR-GRYCIOLGSA-N 1 1 197.322 1.901 10 30 ADEEMO C=C(C)[C@@H](CO)[N@@H+](C)C[C@@H]1CCCO1 677048163 486875815 /nfs/dbraw/zinc/87/58/15/486875815.db2.gz OHOVYONAUDNVIR-WDEREUQCSA-N 1 1 199.294 1.034 10 30 ADEEMO C=C(C)[C@H](CO)[N@H+]1C[C@H](C)O[C@H](C)C1 677046710 486875878 /nfs/dbraw/zinc/87/58/78/486875878.db2.gz GYDDOJRKFVQYLG-AXFHLTTASA-N 1 1 199.294 1.033 10 30 ADEEMO C=C(C)[C@H](CO)[N@@H+](C)C[C@@H]1CCCO1 677048162 486875893 /nfs/dbraw/zinc/87/58/93/486875893.db2.gz OHOVYONAUDNVIR-QWRGUYRKSA-N 1 1 199.294 1.034 10 30 ADEEMO CCC#C[C@@H](C)[N@@H+](C)C[C@@H]1CCCO1 677047686 486875907 /nfs/dbraw/zinc/87/59/07/486875907.db2.gz FXUUSQUZMRJGDU-NEPJUHHUSA-N 1 1 195.306 1.899 10 30 ADEEMO C=C(C)[C@@H](CO)[N@H+]1C[C@H](C)O[C@H](C)C1 677046713 486875918 /nfs/dbraw/zinc/87/59/18/486875918.db2.gz GYDDOJRKFVQYLG-OUAUKWLOSA-N 1 1 199.294 1.033 10 30 ADEEMO CCC#C[C@H](C)[N@@H+](C)C[C@@H]1CCCO1 677047688 486875934 /nfs/dbraw/zinc/87/59/34/486875934.db2.gz FXUUSQUZMRJGDU-RYUDHWBXSA-N 1 1 195.306 1.899 10 30 ADEEMO CCC#C[C@@H](C)[N@@H+]1C[C@H](C)O[C@H](C)C1 677046593 486875954 /nfs/dbraw/zinc/87/59/54/486875954.db2.gz BCYXJNQMRAEEIF-UTUOFQBUSA-N 1 1 195.306 1.898 10 30 ADEEMO CCC#C[C@@H](C)[N@H+]1C[C@H](C)O[C@H](C)C1 677046593 486875956 /nfs/dbraw/zinc/87/59/56/486875956.db2.gz BCYXJNQMRAEEIF-UTUOFQBUSA-N 1 1 195.306 1.898 10 30 ADEEMO C=C(C)[C@H](CO)[N@@H+]1C[C@@H](C)C[C@@H](C)C1 677046662 486875966 /nfs/dbraw/zinc/87/59/66/486875966.db2.gz FVQWSNZOBNBQFR-TUAOUCFPSA-N 1 1 197.322 1.901 10 30 ADEEMO CCC#C[C@H](C)[N@@H+](C)C[C@H]1CCCO1 677047687 486876316 /nfs/dbraw/zinc/87/63/16/486876316.db2.gz FXUUSQUZMRJGDU-NWDGAFQWSA-N 1 1 195.306 1.899 10 30 ADEEMO CCC#C[C@@H](C)[N@@H+](C)C[C@H]1CCCO1 677047689 486876444 /nfs/dbraw/zinc/87/64/44/486876444.db2.gz FXUUSQUZMRJGDU-VXGBXAGGSA-N 1 1 195.306 1.899 10 30 ADEEMO CCC#C[C@H](C)[N@@H+]1C[C@H](C)O[C@H](C)C1 677046591 486876467 /nfs/dbraw/zinc/87/64/67/486876467.db2.gz BCYXJNQMRAEEIF-SDDRHHMPSA-N 1 1 195.306 1.898 10 30 ADEEMO CCC#C[C@H](C)[N@H+]1C[C@H](C)O[C@H](C)C1 677046591 486876476 /nfs/dbraw/zinc/87/64/76/486876476.db2.gz BCYXJNQMRAEEIF-SDDRHHMPSA-N 1 1 195.306 1.898 10 30 ADEEMO CC[C@H]1CCCC[N@H+]1CC#CCOC 677132579 486878989 /nfs/dbraw/zinc/87/89/89/486878989.db2.gz GPACDIBWNADQPC-LBPRGKRZSA-N 1 1 195.306 1.901 10 30 ADEEMO C=C(C)C[N@@H+](CC)CC#CCOC 677132552 486879544 /nfs/dbraw/zinc/87/95/44/486879544.db2.gz DUANUGYXWFOVSX-UHFFFAOYSA-N 1 1 181.279 1.534 10 30 ADEEMO CC[C@@H]1CCCC[N@H+]1CC#CCOC 677132578 486879887 /nfs/dbraw/zinc/87/98/87/486879887.db2.gz GPACDIBWNADQPC-GFCCVEGCSA-N 1 1 195.306 1.901 10 30 ADEEMO C=CCCC[N@@H+]1CCN(CC)[C@H](C)C1 677191005 486880829 /nfs/dbraw/zinc/88/08/29/486880829.db2.gz ARXQIZDGUFAAKX-GFCCVEGCSA-N 1 1 196.338 1.979 10 30 ADEEMO C=CCCCN1CC[N@@H+](CC)[C@H](C)C1 677191005 486880834 /nfs/dbraw/zinc/88/08/34/486880834.db2.gz ARXQIZDGUFAAKX-GFCCVEGCSA-N 1 1 196.338 1.979 10 30 ADEEMO C=CCCCN1CC[N@H+](CC)[C@H](C)C1 677191005 486880839 /nfs/dbraw/zinc/88/08/39/486880839.db2.gz ARXQIZDGUFAAKX-GFCCVEGCSA-N 1 1 196.338 1.979 10 30 ADEEMO C=CCCC[N@@H+]1CCN(CC)[C@@H](C)C1 677191006 486880848 /nfs/dbraw/zinc/88/08/48/486880848.db2.gz ARXQIZDGUFAAKX-LBPRGKRZSA-N 1 1 196.338 1.979 10 30 ADEEMO C=CCCCN1CC[N@@H+](CC)[C@@H](C)C1 677191006 486880852 /nfs/dbraw/zinc/88/08/52/486880852.db2.gz ARXQIZDGUFAAKX-LBPRGKRZSA-N 1 1 196.338 1.979 10 30 ADEEMO C=CCCCN1CC[N@H+](CC)[C@@H](C)C1 677191006 486880856 /nfs/dbraw/zinc/88/08/56/486880856.db2.gz ARXQIZDGUFAAKX-LBPRGKRZSA-N 1 1 196.338 1.979 10 30 ADEEMO COCC#CC[N@@H+](C)CC1CCCC1 677477942 486886689 /nfs/dbraw/zinc/88/66/89/486886689.db2.gz GGQLMPGGZKCOQK-UHFFFAOYSA-N 1 1 195.306 1.758 10 30 ADEEMO C=CC[N@@H+]1CC[C@@H](c2nccn2C)C1 677474970 486886816 /nfs/dbraw/zinc/88/68/16/486886816.db2.gz GGZJJASKQLZIPO-SNVBAGLBSA-N 1 1 191.278 1.395 10 30 ADEEMO C=CC[N@@H+]1CC[C@H](c2nccn2C)C1 677474968 486887305 /nfs/dbraw/zinc/88/73/05/486887305.db2.gz GGZJJASKQLZIPO-JTQLQIEISA-N 1 1 191.278 1.395 10 30 ADEEMO CCC#C[C@H](C)[N@@H+]1CCOC(C)(C)C1 677603111 486891211 /nfs/dbraw/zinc/89/12/11/486891211.db2.gz DOEAHMVTEQMAKH-NSHDSACASA-N 1 1 195.306 1.899 10 30 ADEEMO CCC#C[C@H](C)[N@H+]1CCOC(C)(C)C1 677603111 486891219 /nfs/dbraw/zinc/89/12/19/486891219.db2.gz DOEAHMVTEQMAKH-NSHDSACASA-N 1 1 195.306 1.899 10 30 ADEEMO CCC#C[C@@H](C)[N@@H+](C)C[C@@H]1CCOC1 677603115 486891289 /nfs/dbraw/zinc/89/12/89/486891289.db2.gz DXDIEPDOTJTZGW-NEPJUHHUSA-N 1 1 195.306 1.757 10 30 ADEEMO CCC#C[C@@H](C)[N@@H+]1CCOC(C)(C)C1 677603110 486891454 /nfs/dbraw/zinc/89/14/54/486891454.db2.gz DOEAHMVTEQMAKH-LLVKDONJSA-N 1 1 195.306 1.899 10 30 ADEEMO CCC#C[C@@H](C)[N@H+]1CCOC(C)(C)C1 677603110 486891458 /nfs/dbraw/zinc/89/14/58/486891458.db2.gz DOEAHMVTEQMAKH-LLVKDONJSA-N 1 1 195.306 1.899 10 30 ADEEMO CCC#C[C@@H](C)[N@@H+](C)C[C@H]1CCOC1 677603118 486891475 /nfs/dbraw/zinc/89/14/75/486891475.db2.gz DXDIEPDOTJTZGW-VXGBXAGGSA-N 1 1 195.306 1.757 10 30 ADEEMO CCC#C[C@H](C)[N@@H+](C)C[C@H]1CCOC1 677603116 486891557 /nfs/dbraw/zinc/89/15/57/486891557.db2.gz DXDIEPDOTJTZGW-NWDGAFQWSA-N 1 1 195.306 1.757 10 30 ADEEMO C=C(C)[C@H](CO)[N@H+]1CCOC(C)(C)C1 677603234 486891749 /nfs/dbraw/zinc/89/17/49/486891749.db2.gz UGMHWFMDMREXIK-JTQLQIEISA-N 1 1 199.294 1.034 10 30 ADEEMO CCC#C[C@H](C)[N@@H+](C)C[C@@H]1CCOC1 677603117 486891853 /nfs/dbraw/zinc/89/18/53/486891853.db2.gz DXDIEPDOTJTZGW-RYUDHWBXSA-N 1 1 195.306 1.757 10 30 ADEEMO C=C(C)[C@@H](CO)[N@H+]1CCOC(C)(C)C1 677603236 486891867 /nfs/dbraw/zinc/89/18/67/486891867.db2.gz UGMHWFMDMREXIK-SNVBAGLBSA-N 1 1 199.294 1.034 10 30 ADEEMO CC#CC[N@H+](C)C1(COC)CC1 677727815 486895183 /nfs/dbraw/zinc/89/51/83/486895183.db2.gz IDLXFGWUKKAOPZ-UHFFFAOYSA-N 1 1 167.252 1.121 10 30 ADEEMO CC#CC[N@H+]1CC[C@H](C(F)F)C1 677729951 486895923 /nfs/dbraw/zinc/89/59/23/486895923.db2.gz FDSJPDIDWXXXTR-QMMMGPOBSA-N 1 1 173.206 1.597 10 30 ADEEMO CC#CC[N@H+]1CC[C@@H](C(F)F)C1 677729950 486896594 /nfs/dbraw/zinc/89/65/94/486896594.db2.gz FDSJPDIDWXXXTR-MRVPVSSYSA-N 1 1 173.206 1.597 10 30 ADEEMO CC#CC[NH+]1CC2(C1)CC(F)(F)C2 677734871 486896623 /nfs/dbraw/zinc/89/66/23/486896623.db2.gz YGIOBIZZNRNVNH-UHFFFAOYSA-N 1 1 185.217 1.741 10 30 ADEEMO COCC#CC[N@H+](C)Cc1ccco1 677816819 486900335 /nfs/dbraw/zinc/90/03/35/486900335.db2.gz CNHDXWNFXVLKRH-UHFFFAOYSA-N 1 1 193.246 1.361 10 30 ADEEMO COCC#CC[N@@H+](C)Cc1ccco1 677816819 486900340 /nfs/dbraw/zinc/90/03/40/486900340.db2.gz CNHDXWNFXVLKRH-UHFFFAOYSA-N 1 1 193.246 1.361 10 30 ADEEMO C=CCCC[N@H+](C)CC#CCOC 677817461 486900456 /nfs/dbraw/zinc/90/04/56/486900456.db2.gz MISDJMWYCLNWRX-UHFFFAOYSA-N 1 1 181.279 1.534 10 30 ADEEMO CC[N@@H+](CC#CCOC)CC(C)C 677816795 486900507 /nfs/dbraw/zinc/90/05/07/486900507.db2.gz CFPILZCOFZQURM-UHFFFAOYSA-N 1 1 183.295 1.614 10 30 ADEEMO COCC#CC[N@H+]1CCSC[C@H]1C 677816775 486900600 /nfs/dbraw/zinc/90/06/00/486900600.db2.gz AEXOLWGNHADZCC-SNVBAGLBSA-N 1 1 199.319 1.074 10 30 ADEEMO COCC#CC[N@@H+](CC(C)C)C1CC1 677816870 486900633 /nfs/dbraw/zinc/90/06/33/486900633.db2.gz FONKHYVAFIZURD-UHFFFAOYSA-N 1 1 195.306 1.757 10 30 ADEEMO COCC#CC[N@H+]1CCCC(C)(C)C1 677817082 486900652 /nfs/dbraw/zinc/90/06/52/486900652.db2.gz GWHFDLPVLQZJIS-UHFFFAOYSA-N 1 1 195.306 1.758 10 30 ADEEMO CC[N@@H+](CC#CCOC)C1CCC1 677817118 486900776 /nfs/dbraw/zinc/90/07/76/486900776.db2.gz HOPBBHUWLDCMGS-UHFFFAOYSA-N 1 1 181.279 1.511 10 30 ADEEMO CC[N@@H+](CC#CCOC)CC1CC1 677816817 486900829 /nfs/dbraw/zinc/90/08/29/486900829.db2.gz BFQPOQJTSVNTSU-UHFFFAOYSA-N 1 1 181.279 1.368 10 30 ADEEMO COCC#CC[N@H+]1CCSC[C@@H]1C 677816770 486900896 /nfs/dbraw/zinc/90/08/96/486900896.db2.gz AEXOLWGNHADZCC-JTQLQIEISA-N 1 1 199.319 1.074 10 30 ADEEMO COCC#CC[N@H+]1CCC[C@H]1C1CC1 677817873 486901302 /nfs/dbraw/zinc/90/13/02/486901302.db2.gz BYFNJYRQBZPDKQ-LBPRGKRZSA-N 1 1 193.290 1.511 10 30 ADEEMO COCC#CC[N@@H+](CC1CC1)C(C)C 677818545 486901424 /nfs/dbraw/zinc/90/14/24/486901424.db2.gz BRYXXXYXRBTNDN-UHFFFAOYSA-N 1 1 195.306 1.757 10 30 ADEEMO COCC#CC[N@H+]1CCC[C@@H]1C1CC1 677817863 486901548 /nfs/dbraw/zinc/90/15/48/486901548.db2.gz BYFNJYRQBZPDKQ-GFCCVEGCSA-N 1 1 193.290 1.511 10 30 ADEEMO COCC#CC[N@H+]1CCC[C@H]1C(C)C 677817834 486901655 /nfs/dbraw/zinc/90/16/55/486901655.db2.gz BRRXBVUESGXALR-LBPRGKRZSA-N 1 1 195.306 1.757 10 30 ADEEMO COCC#CC[N@H+]1CCC[C@@H]1C(C)C 677817826 486901774 /nfs/dbraw/zinc/90/17/74/486901774.db2.gz BRRXBVUESGXALR-GFCCVEGCSA-N 1 1 195.306 1.757 10 30 ADEEMO COCC#CC[N@H+]1CCCCC[C@@H]1C 677817753 486901966 /nfs/dbraw/zinc/90/19/66/486901966.db2.gz QPWVKLQWERKQDO-LBPRGKRZSA-N 1 1 195.306 1.901 10 30 ADEEMO COCC#CC[N@H+]1CCCSCC1 677819610 486901993 /nfs/dbraw/zinc/90/19/93/486901993.db2.gz FFEKJWJUMINJBR-UHFFFAOYSA-N 1 1 199.319 1.075 10 30 ADEEMO COCC#CC[N@H+]1CCCC1(C)C 677818125 486902027 /nfs/dbraw/zinc/90/20/27/486902027.db2.gz FKAFLGSHDNSVNP-UHFFFAOYSA-N 1 1 181.279 1.511 10 30 ADEEMO COCC#CC[N@@H+](C(C)C)C1CC1 677817801 486902081 /nfs/dbraw/zinc/90/20/81/486902081.db2.gz BPHNLVKIKNDSEW-UHFFFAOYSA-N 1 1 181.279 1.509 10 30 ADEEMO COCC#CC[N@@H+]1CC=C(C)CC1 677819644 486902164 /nfs/dbraw/zinc/90/21/64/486902164.db2.gz IADWLMGYNFLXDH-UHFFFAOYSA-N 1 1 179.263 1.288 10 30 ADEEMO CC[C@@H](C)[N@@H+](C)CC#CCOC 677818669 486902193 /nfs/dbraw/zinc/90/21/93/486902193.db2.gz FLWRAJPHIRKNJH-SNVBAGLBSA-N 1 1 169.268 1.367 10 30 ADEEMO COCC#CC[N@H+]1CCCCC[C@H]1C 677817750 486902214 /nfs/dbraw/zinc/90/22/14/486902214.db2.gz QPWVKLQWERKQDO-GFCCVEGCSA-N 1 1 195.306 1.901 10 30 ADEEMO CCC(C)(C)[N@@H+](C)CC#CCOC 677818636 486902609 /nfs/dbraw/zinc/90/26/09/486902609.db2.gz FFLKNCKTWPOEJR-UHFFFAOYSA-N 1 1 183.295 1.757 10 30 ADEEMO CC[C@H](C)[N@@H+](C)CC#CCOC 677818666 486902622 /nfs/dbraw/zinc/90/26/22/486902622.db2.gz FLWRAJPHIRKNJH-JTQLQIEISA-N 1 1 169.268 1.367 10 30 ADEEMO COCC#CC[N@H+]1CC[C@H](C(C)C)C1 677819776 486902909 /nfs/dbraw/zinc/90/29/09/486902909.db2.gz AEDQRLVYOBBTPN-LBPRGKRZSA-N 1 1 195.306 1.614 10 30 ADEEMO COCC#CC[N@H+]1C[C@@H](C)CC[C@@H]1C 677820211 486902952 /nfs/dbraw/zinc/90/29/52/486902952.db2.gz JCWLWGZLUZQFDF-RYUDHWBXSA-N 1 1 195.306 1.757 10 30 ADEEMO COCC#CC[N@H+]1C[C@H](C)CC[C@@H]1C 677820209 486902971 /nfs/dbraw/zinc/90/29/71/486902971.db2.gz JCWLWGZLUZQFDF-NEPJUHHUSA-N 1 1 195.306 1.757 10 30 ADEEMO COCC#CC[N@H+]1CCC[C@H]1C 677819875 486903097 /nfs/dbraw/zinc/90/30/97/486903097.db2.gz CHKFHUZCHUYXFY-SNVBAGLBSA-N 1 1 167.252 1.121 10 30 ADEEMO COCC#CC[N@H+]1CC[C@@H](C(C)C)C1 677819775 486903162 /nfs/dbraw/zinc/90/31/62/486903162.db2.gz AEDQRLVYOBBTPN-GFCCVEGCSA-N 1 1 195.306 1.614 10 30 ADEEMO COCC#CC[N@H+]1CCC2(CCC2)C1 677819902 486903234 /nfs/dbraw/zinc/90/32/34/486903234.db2.gz CYHVWEOHZGAIBP-UHFFFAOYSA-N 1 1 193.290 1.512 10 30 ADEEMO COCC#CC[N@H+]1C[C@H](C)CC[C@H]1C 677820212 486903530 /nfs/dbraw/zinc/90/35/30/486903530.db2.gz JCWLWGZLUZQFDF-VXGBXAGGSA-N 1 1 195.306 1.757 10 30 ADEEMO COCC#CC[N@H+]1CCC[C@@H]1C 677819873 486903927 /nfs/dbraw/zinc/90/39/27/486903927.db2.gz CHKFHUZCHUYXFY-JTQLQIEISA-N 1 1 167.252 1.121 10 30 ADEEMO COCC#CC[N@H+]1C[C@@H](C)CC[C@H]1C 677820210 486903948 /nfs/dbraw/zinc/90/39/48/486903948.db2.gz JCWLWGZLUZQFDF-NWDGAFQWSA-N 1 1 195.306 1.757 10 30 ADEEMO C=C(C)C[N@H+](CC)[C@@H]1CCCNC1=O 677880986 486905310 /nfs/dbraw/zinc/90/53/10/486905310.db2.gz KDDBPYAABUYZNH-SNVBAGLBSA-N 1 1 196.294 1.163 10 30 ADEEMO C=CC[N@H+](CC)[C@@H]1CCCOC1 677887739 486905676 /nfs/dbraw/zinc/90/56/76/486905676.db2.gz FYFBBFSPNYEOFN-SNVBAGLBSA-N 1 1 169.268 1.673 10 30 ADEEMO C=C(C)C[N@H+](CC)[C@H]1CCCNC1=O 677880985 486905758 /nfs/dbraw/zinc/90/57/58/486905758.db2.gz KDDBPYAABUYZNH-JTQLQIEISA-N 1 1 196.294 1.163 10 30 ADEEMO C=CC[N@H+](CC)[C@H]1CCCOC1 677887734 486905782 /nfs/dbraw/zinc/90/57/82/486905782.db2.gz FYFBBFSPNYEOFN-JTQLQIEISA-N 1 1 169.268 1.673 10 30 ADEEMO CCC#C[C@@H](C)[N@@H+](CC)CC(C)(C)O 677950947 486909265 /nfs/dbraw/zinc/90/92/65/486909265.db2.gz GEGDLXZORXMBEZ-LLVKDONJSA-N 1 1 197.322 1.881 10 30 ADEEMO CCC#C[C@H](C)[N@@H+](CC)CC(C)(C)O 677950948 486909416 /nfs/dbraw/zinc/90/94/16/486909416.db2.gz GEGDLXZORXMBEZ-NSHDSACASA-N 1 1 197.322 1.881 10 30 ADEEMO C=C(CC)C[NH2+]Cc1ccon1 88053247 486909850 /nfs/dbraw/zinc/90/98/50/486909850.db2.gz HGHRTEPDNHWSGI-UHFFFAOYSA-N 1 1 166.224 1.730 10 30 ADEEMO C=C(C)C[N@@H+](CC)C[C@H](C)CO 678044516 486913287 /nfs/dbraw/zinc/91/32/87/486913287.db2.gz UMCLOQFFWNIUKQ-JTQLQIEISA-N 1 1 171.284 1.513 10 30 ADEEMO C=C(C)C[N@@H+](CC)C[C@@H](C)CO 678044517 486913296 /nfs/dbraw/zinc/91/32/96/486913296.db2.gz UMCLOQFFWNIUKQ-SNVBAGLBSA-N 1 1 171.284 1.513 10 30 ADEEMO CC#CC[N@H+]1CC[C@@H](C)[C@H](C)C1 678045299 486913355 /nfs/dbraw/zinc/91/33/55/486913355.db2.gz FDNATTLCGIBWMI-GHMZBOCLSA-N 1 1 165.280 1.988 10 30 ADEEMO CC#CC[N@H+]1CC[C@@H](C)[C@@H](C)C1 678045300 486913418 /nfs/dbraw/zinc/91/34/18/486913418.db2.gz FDNATTLCGIBWMI-MNOVXSKESA-N 1 1 165.280 1.988 10 30 ADEEMO CC#CC[N@H+]1CC[C@H](C)[C@H](C)C1 678045302 486913606 /nfs/dbraw/zinc/91/36/06/486913606.db2.gz FDNATTLCGIBWMI-WDEREUQCSA-N 1 1 165.280 1.988 10 30 ADEEMO CC#CC[N@H+]1CC[C@H](C)[C@@H](C)C1 678045301 486913700 /nfs/dbraw/zinc/91/37/00/486913700.db2.gz FDNATTLCGIBWMI-QWRGUYRKSA-N 1 1 165.280 1.988 10 30 ADEEMO C=C(C)[C@H](CO)[N@H+]1CC[C@@H](C(C)C)C1 678049555 486915688 /nfs/dbraw/zinc/91/56/88/486915688.db2.gz LVFCSFGCCHKLBQ-NEPJUHHUSA-N 1 1 197.322 1.901 10 30 ADEEMO C=CCCC[N@@H+]1CCN(C)CC1(C)C 678047161 486914680 /nfs/dbraw/zinc/91/46/80/486914680.db2.gz HHADSDKJEJVWEZ-UHFFFAOYSA-N 1 1 196.338 1.979 10 30 ADEEMO C=C(C)[C@H](CO)[N@@H+]1CCCO[C@H](C)C1 678049356 486915229 /nfs/dbraw/zinc/91/52/29/486915229.db2.gz IUHKWNCQDSDTOO-MNOVXSKESA-N 1 1 199.294 1.034 10 30 ADEEMO C=CCCC[N@H+](C)Cc1ccnn1C 678048976 486915339 /nfs/dbraw/zinc/91/53/39/486915339.db2.gz AARRTALNQCIUCK-UHFFFAOYSA-N 1 1 193.294 1.818 10 30 ADEEMO C=C(C)[C@H](CO)[N@H+]1CC[C@H](C)[C@@H](C)C1 678049297 486915352 /nfs/dbraw/zinc/91/53/52/486915352.db2.gz GUVIFMIOHNTLMV-SRVKXCTJSA-N 1 1 197.322 1.901 10 30 ADEEMO C=C(C)[C@@H](CO)[N@H+]1CC[C@@H](C(C)C)C1 678049559 486915368 /nfs/dbraw/zinc/91/53/68/486915368.db2.gz LVFCSFGCCHKLBQ-VXGBXAGGSA-N 1 1 197.322 1.901 10 30 ADEEMO C=C(C)[C@@H](CO)[N@H+]1CCC2(CCC2)C1 678049979 486915405 /nfs/dbraw/zinc/91/54/05/486915405.db2.gz RQRCJHNGMZHOSD-LLVKDONJSA-N 1 1 195.306 1.799 10 30 ADEEMO C=C(C)[C@H](CO)[N@H+]1CCC2(CCC2)C1 678049980 486915432 /nfs/dbraw/zinc/91/54/32/486915432.db2.gz RQRCJHNGMZHOSD-NSHDSACASA-N 1 1 195.306 1.799 10 30 ADEEMO C=C(C)[C@H](CO)[N@H+]1CC[C@H](C)[C@H](C)C1 678049298 486915441 /nfs/dbraw/zinc/91/54/41/486915441.db2.gz GUVIFMIOHNTLMV-TUAOUCFPSA-N 1 1 197.322 1.901 10 30 ADEEMO C=C(C)[C@@H](CO)[N@H+]1CC[C@H](C(C)C)C1 678049556 486915656 /nfs/dbraw/zinc/91/56/56/486915656.db2.gz LVFCSFGCCHKLBQ-NWDGAFQWSA-N 1 1 197.322 1.901 10 30 ADEEMO C=C(C)[C@H](CO)[N@@H+]1CCCO[C@@H](C)C1 678049357 486915672 /nfs/dbraw/zinc/91/56/72/486915672.db2.gz IUHKWNCQDSDTOO-QWRGUYRKSA-N 1 1 199.294 1.034 10 30 ADEEMO C=C(C)[C@H](CO)[N@H+]1CC[C@@H](C)[C@H](C)C1 678049299 486915697 /nfs/dbraw/zinc/91/56/97/486915697.db2.gz GUVIFMIOHNTLMV-UTUOFQBUSA-N 1 1 197.322 1.901 10 30 ADEEMO C=C(C)[C@@H](CO)[N@@H+]1CCCO[C@H](C)C1 678049355 486915727 /nfs/dbraw/zinc/91/57/27/486915727.db2.gz IUHKWNCQDSDTOO-GHMZBOCLSA-N 1 1 199.294 1.034 10 30 ADEEMO C=C(C)[C@H](CO)[N@H+]1CC[C@@H](C)[C@@H](C)C1 678049300 486915755 /nfs/dbraw/zinc/91/57/55/486915755.db2.gz GUVIFMIOHNTLMV-WOPDTQHZSA-N 1 1 197.322 1.901 10 30 ADEEMO C=C(C)[C@H](CO)[N@H+]1CC[C@H](C(C)C)C1 678049557 486915874 /nfs/dbraw/zinc/91/58/74/486915874.db2.gz LVFCSFGCCHKLBQ-RYUDHWBXSA-N 1 1 197.322 1.901 10 30 ADEEMO C=C(C)[C@@H](CO)[N@@H+]1CCCO[C@@H](C)C1 678049358 486915933 /nfs/dbraw/zinc/91/59/33/486915933.db2.gz IUHKWNCQDSDTOO-WDEREUQCSA-N 1 1 199.294 1.034 10 30 ADEEMO C=CCC[N@@H+](C)Cc1nccn1C 678083924 486916126 /nfs/dbraw/zinc/91/61/26/486916126.db2.gz ATNBELGJSSFQPZ-UHFFFAOYSA-N 1 1 179.267 1.428 10 30 ADEEMO C=CCC[N@H+](C)Cc1nccn1C 678083924 486916128 /nfs/dbraw/zinc/91/61/28/486916128.db2.gz ATNBELGJSSFQPZ-UHFFFAOYSA-N 1 1 179.267 1.428 10 30 ADEEMO C=C(C)C[N@@H+](CC)Cc1cnnn1C 678120664 486917979 /nfs/dbraw/zinc/91/79/79/486917979.db2.gz HHVLZVKMTSGQHU-UHFFFAOYSA-N 1 1 194.282 1.213 10 30 ADEEMO C=C(C)C[N@H+](CC)Cc1cnnn1C 678120664 486917987 /nfs/dbraw/zinc/91/79/87/486917987.db2.gz HHVLZVKMTSGQHU-UHFFFAOYSA-N 1 1 194.282 1.213 10 30 ADEEMO C=CCCC[N@H+](C)Cc1cnnn1C 678274687 486931366 /nfs/dbraw/zinc/93/13/66/486931366.db2.gz HRMLYKCIMUNZDS-UHFFFAOYSA-N 1 1 194.282 1.213 10 30 ADEEMO C=CCC[N@H+](C)CCc1cnccn1 678466532 486936279 /nfs/dbraw/zinc/93/62/79/486936279.db2.gz BVDSDZNWQOSPKA-UHFFFAOYSA-N 1 1 191.278 1.527 10 30 ADEEMO CC[C@H]1CC[C@@H](C)[N@H+]1CC#CCOC 678534942 486939243 /nfs/dbraw/zinc/93/92/43/486939243.db2.gz AHWWMEKBSPCCSK-NEPJUHHUSA-N 1 1 195.306 1.899 10 30 ADEEMO CC[C@H]1CC[C@H](C)[N@H+]1CC#CCOC 678534945 486939315 /nfs/dbraw/zinc/93/93/15/486939315.db2.gz AHWWMEKBSPCCSK-RYUDHWBXSA-N 1 1 195.306 1.899 10 30 ADEEMO C=CC[N@H+](CCCNC(C)=O)C1CC1 678537125 486939481 /nfs/dbraw/zinc/93/94/81/486939481.db2.gz HNHCKXSZUFLHRV-UHFFFAOYSA-N 1 1 196.294 1.163 10 30 ADEEMO C=CC[N@H+](CCC(=O)N(C)C)C1CC1 678537104 486939722 /nfs/dbraw/zinc/93/97/22/486939722.db2.gz FLAUEQFHWIHAGH-UHFFFAOYSA-N 1 1 196.294 1.115 10 30 ADEEMO CC[C@@H]1CC[C@@H](C)[N@H+]1CC#CCOC 678534947 486939791 /nfs/dbraw/zinc/93/97/91/486939791.db2.gz AHWWMEKBSPCCSK-VXGBXAGGSA-N 1 1 195.306 1.899 10 30 ADEEMO CC[C@@H]1CC[C@H](C)[N@H+]1CC#CCOC 678534944 486939946 /nfs/dbraw/zinc/93/99/46/486939946.db2.gz AHWWMEKBSPCCSK-NWDGAFQWSA-N 1 1 195.306 1.899 10 30 ADEEMO C=CC[N@@H+](CCn1ccnc1)C1CC1 678537124 486940052 /nfs/dbraw/zinc/94/00/52/486940052.db2.gz HLOSUPMECHEZNG-UHFFFAOYSA-N 1 1 191.278 1.534 10 30 ADEEMO C=C(CC)C[N@@H+](C)Cc1cnn(C)c1 678622975 486940140 /nfs/dbraw/zinc/94/01/40/486940140.db2.gz HDXPPGANIIWMCJ-UHFFFAOYSA-N 1 1 193.294 1.818 10 30 ADEEMO C=C(CC)C[N@@H+]1CCC[C@H](N(C)C)C1 678623165 486940172 /nfs/dbraw/zinc/94/01/72/486940172.db2.gz AIKGTOXOAQKCGF-LBPRGKRZSA-N 1 1 196.338 1.979 10 30 ADEEMO C=C(CC)C[N@H+]1CCC[C@H](N(C)C)C1 678623165 486940177 /nfs/dbraw/zinc/94/01/77/486940177.db2.gz AIKGTOXOAQKCGF-LBPRGKRZSA-N 1 1 196.338 1.979 10 30 ADEEMO C=C(CC)C[N@@H+]1CCC[C@@H](N(C)C)C1 678623164 486940488 /nfs/dbraw/zinc/94/04/88/486940488.db2.gz AIKGTOXOAQKCGF-GFCCVEGCSA-N 1 1 196.338 1.979 10 30 ADEEMO C=C(CC)C[N@H+]1CCC[C@@H](N(C)C)C1 678623164 486940493 /nfs/dbraw/zinc/94/04/93/486940493.db2.gz AIKGTOXOAQKCGF-GFCCVEGCSA-N 1 1 196.338 1.979 10 30 ADEEMO C=C(CC)CN1CC[NH+](C2CC2)CC1 678623614 486940513 /nfs/dbraw/zinc/94/05/13/486940513.db2.gz QWNJVFXSCKMAKE-UHFFFAOYSA-N 1 1 194.322 1.733 10 30 ADEEMO C=C(CC)C[N@@H+](C)[C@@H]1CCN(C)C1=O 678624418 486941403 /nfs/dbraw/zinc/94/14/03/486941403.db2.gz ASGJFDRCAZJJHR-SNVBAGLBSA-N 1 1 196.294 1.115 10 30 ADEEMO C=C(CC)C[N@H+](C)Cc1cnccn1 678624855 486941537 /nfs/dbraw/zinc/94/15/37/486941537.db2.gz HRPPMYFHYGDXBM-UHFFFAOYSA-N 1 1 191.278 1.875 10 30 ADEEMO C=C(CC)C[N@@H+](C)Cc1cnccn1 678624855 486941544 /nfs/dbraw/zinc/94/15/44/486941544.db2.gz HRPPMYFHYGDXBM-UHFFFAOYSA-N 1 1 191.278 1.875 10 30 ADEEMO C=C(CC)C[N@@H+](C)[C@H]1CCN(C)C1=O 678624417 486942099 /nfs/dbraw/zinc/94/20/99/486942099.db2.gz ASGJFDRCAZJJHR-JTQLQIEISA-N 1 1 196.294 1.115 10 30 ADEEMO C=CCCC[C@H](C)[N@@H+]1CCNC(=O)C1 678714441 486942793 /nfs/dbraw/zinc/94/27/93/486942793.db2.gz ANCJZKUXEUQIFL-JTQLQIEISA-N 1 1 196.294 1.163 10 30 ADEEMO C=CCCC[C@H](C)[N@H+]1CCNC(=O)C1 678714441 486942798 /nfs/dbraw/zinc/94/27/98/486942798.db2.gz ANCJZKUXEUQIFL-JTQLQIEISA-N 1 1 196.294 1.163 10 30 ADEEMO C=CCCC[C@@H](C)[N@@H+]1CCNC(=O)C1 678714442 486943385 /nfs/dbraw/zinc/94/33/85/486943385.db2.gz ANCJZKUXEUQIFL-SNVBAGLBSA-N 1 1 196.294 1.163 10 30 ADEEMO C=CCCC[C@@H](C)[N@H+]1CCNC(=O)C1 678714442 486943389 /nfs/dbraw/zinc/94/33/89/486943389.db2.gz ANCJZKUXEUQIFL-SNVBAGLBSA-N 1 1 196.294 1.163 10 30 ADEEMO C=CC[N@H+](C)CCOCCCOC 678634310 486943543 /nfs/dbraw/zinc/94/35/43/486943543.db2.gz FQYFQXVMRVPNLF-UHFFFAOYSA-N 1 1 187.283 1.157 10 30 ADEEMO C=CCCC[C@@H](C)[N@H+](C)CC(=O)NC 678714825 486944166 /nfs/dbraw/zinc/94/41/66/486944166.db2.gz RNLQCORAAXOAQZ-SNVBAGLBSA-N 1 1 198.310 1.409 10 30 ADEEMO C=CCCC[C@H](C)[N@H+](C)CC(=O)NC 678714824 486944660 /nfs/dbraw/zinc/94/46/60/486944660.db2.gz RNLQCORAAXOAQZ-JTQLQIEISA-N 1 1 198.310 1.409 10 30 ADEEMO C=CCCC(=O)Cn1cc[nH+]c1CC 679008498 486951596 /nfs/dbraw/zinc/95/15/96/486951596.db2.gz BOYDAXPUZDWYEY-UHFFFAOYSA-N 1 1 192.262 1.981 10 30 ADEEMO C=CCN1CCN(C)c2[nH+]cccc21 679150918 486952634 /nfs/dbraw/zinc/95/26/34/486952634.db2.gz FTBSFTYHIZKGIG-UHFFFAOYSA-N 1 1 189.262 1.524 10 30 ADEEMO C=C(C)CN(C)CC[C@@H]1CCC[N@@H+]1C 679217518 486953166 /nfs/dbraw/zinc/95/31/66/486953166.db2.gz GTZNUOWBLYKFRU-LBPRGKRZSA-N 1 1 196.338 1.979 10 30 ADEEMO C=C(C)CN(C)CC[C@@H]1CCC[N@H+]1C 679217518 486953168 /nfs/dbraw/zinc/95/31/68/486953168.db2.gz GTZNUOWBLYKFRU-LBPRGKRZSA-N 1 1 196.338 1.979 10 30 ADEEMO C=C(C)C[N@H+](C)CCc1cnn(C)c1 679217331 486953197 /nfs/dbraw/zinc/95/31/97/486953197.db2.gz AOHDNEFIBKYMHV-UHFFFAOYSA-N 1 1 193.294 1.471 10 30 ADEEMO C=C(C)C[N@H+](C)CC(=O)N(C)C1CC1 679217408 486953330 /nfs/dbraw/zinc/95/33/30/486953330.db2.gz CZDZSLILDDAUJY-UHFFFAOYSA-N 1 1 196.294 1.115 10 30 ADEEMO C=C(C)C[N@H+](C)Cc1cnn(C)c1C 679217367 486953389 /nfs/dbraw/zinc/95/33/89/486953389.db2.gz BGHJRQIHUHYHCL-UHFFFAOYSA-N 1 1 193.294 1.736 10 30 ADEEMO C=C(C)CN(C)CC[C@H]1CCC[N@@H+]1C 679217516 486953513 /nfs/dbraw/zinc/95/35/13/486953513.db2.gz GTZNUOWBLYKFRU-GFCCVEGCSA-N 1 1 196.338 1.979 10 30 ADEEMO C=C(C)CN(C)CC[C@H]1CCC[N@H+]1C 679217516 486953517 /nfs/dbraw/zinc/95/35/17/486953517.db2.gz GTZNUOWBLYKFRU-GFCCVEGCSA-N 1 1 196.338 1.979 10 30 ADEEMO COCC#CC[N@@H+]1CC[C@H](C)[C@@H](F)C1 679219568 486953979 /nfs/dbraw/zinc/95/39/79/486953979.db2.gz DLWYQMJVBWBBPR-QWRGUYRKSA-N 1 1 199.269 1.316 10 30 ADEEMO COCC#CC[N@H+]1CC[C@H](C)[C@@H](F)C1 679219568 486953983 /nfs/dbraw/zinc/95/39/83/486953983.db2.gz DLWYQMJVBWBBPR-QWRGUYRKSA-N 1 1 199.269 1.316 10 30 ADEEMO C=C(C)C[N@H+](C)CCC(=O)NC(C)C 679219003 486954242 /nfs/dbraw/zinc/95/42/42/486954242.db2.gz OXZYTFHWNKOXIQ-UHFFFAOYSA-N 1 1 198.310 1.409 10 30 ADEEMO COCC#CC[N@@H+]1CC[C@H](C)[C@H](F)C1 679219569 486954260 /nfs/dbraw/zinc/95/42/60/486954260.db2.gz DLWYQMJVBWBBPR-WDEREUQCSA-N 1 1 199.269 1.316 10 30 ADEEMO COCC#CC[N@H+]1CC[C@H](C)[C@H](F)C1 679219569 486954263 /nfs/dbraw/zinc/95/42/63/486954263.db2.gz DLWYQMJVBWBBPR-WDEREUQCSA-N 1 1 199.269 1.316 10 30 ADEEMO C=CC[N@H+](C)C[C@H]1CCCC[C@@H]1O 679221577 486954392 /nfs/dbraw/zinc/95/43/92/486954392.db2.gz SUZXWAZZQRJHDA-MNOVXSKESA-N 1 1 183.295 1.655 10 30 ADEEMO C=CC[N@H+](C)C[C@@H]1CCCC[C@H]1O 679221580 486954426 /nfs/dbraw/zinc/95/44/26/486954426.db2.gz SUZXWAZZQRJHDA-WDEREUQCSA-N 1 1 183.295 1.655 10 30 ADEEMO COCC#CC[N@@H+]1CC[C@@H](C)[C@@H](F)C1 679219566 486954503 /nfs/dbraw/zinc/95/45/03/486954503.db2.gz DLWYQMJVBWBBPR-MNOVXSKESA-N 1 1 199.269 1.316 10 30 ADEEMO COCC#CC[N@H+]1CC[C@@H](C)[C@@H](F)C1 679219566 486954506 /nfs/dbraw/zinc/95/45/06/486954506.db2.gz DLWYQMJVBWBBPR-MNOVXSKESA-N 1 1 199.269 1.316 10 30 ADEEMO C=C(C)C[N@@H+](C)CCn1cc(C)cn1 679219183 486954538 /nfs/dbraw/zinc/95/45/38/486954538.db2.gz QEOLBYNQTPKRLJ-UHFFFAOYSA-N 1 1 193.294 1.699 10 30 ADEEMO CC(C)[N@H+]1CC[C@@](C)(C#N)C1 147345368 486954686 /nfs/dbraw/zinc/95/46/86/486954686.db2.gz PTMMMAHKRZPYJQ-VIFPVBQESA-N 1 1 152.241 1.630 10 30 ADEEMO CC(C)[N@H+]1CC[C@](C)(C#N)C1 147345177 486954704 /nfs/dbraw/zinc/95/47/04/486954704.db2.gz PTMMMAHKRZPYJQ-SECBINFHSA-N 1 1 152.241 1.630 10 30 ADEEMO C=CC[N@H+](C)C[C@H]1CCCC[C@H]1O 679221576 486954726 /nfs/dbraw/zinc/95/47/26/486954726.db2.gz SUZXWAZZQRJHDA-GHMZBOCLSA-N 1 1 183.295 1.655 10 30 ADEEMO C=CC[N@H+](C)C[C@@H]1CCCC[C@@H]1O 679221579 486954738 /nfs/dbraw/zinc/95/47/38/486954738.db2.gz SUZXWAZZQRJHDA-QWRGUYRKSA-N 1 1 183.295 1.655 10 30 ADEEMO COCC#CC[N@@H+]1CC[C@@H](C)[C@H](F)C1 679219564 486954992 /nfs/dbraw/zinc/95/49/92/486954992.db2.gz DLWYQMJVBWBBPR-GHMZBOCLSA-N 1 1 199.269 1.316 10 30 ADEEMO COCC#CC[N@H+]1CC[C@@H](C)[C@H](F)C1 679219564 486954997 /nfs/dbraw/zinc/95/49/97/486954997.db2.gz DLWYQMJVBWBBPR-GHMZBOCLSA-N 1 1 199.269 1.316 10 30 ADEEMO C=C(C)CN(C)C(=O)C[N@H+](C)C(C)C 679244750 486955601 /nfs/dbraw/zinc/95/56/01/486955601.db2.gz GRYVSVWOPWBZRH-UHFFFAOYSA-N 1 1 198.310 1.361 10 30 ADEEMO C=C(C)CN(C)C(=O)C[N@H+](C)CCC 679244526 486955820 /nfs/dbraw/zinc/95/58/20/486955820.db2.gz FNFCZDJANUYBBQ-UHFFFAOYSA-N 1 1 198.310 1.363 10 30 ADEEMO COCC#CCn1cc[nH+]c1C(C)C 679460471 486962442 /nfs/dbraw/zinc/96/24/42/486962442.db2.gz CLOLPFSNYMOBCK-UHFFFAOYSA-N 1 1 192.262 1.656 10 30 ADEEMO C=CCC[N@H+](CC)Cc1cn(C)nn1 679834143 486967095 /nfs/dbraw/zinc/96/70/95/486967095.db2.gz SLAOUPOKVXUNIZ-UHFFFAOYSA-N 1 1 194.282 1.213 10 30 ADEEMO C=C(C)C[N@@H+](CC)C[C@H](C)OC 679850321 486969025 /nfs/dbraw/zinc/96/90/25/486969025.db2.gz CWPVSRXDQBPWTM-JTQLQIEISA-N 1 1 171.284 1.919 10 30 ADEEMO C=C(C)C[N@@H+](CC)C[C@@H](C)OC 679850322 486969489 /nfs/dbraw/zinc/96/94/89/486969489.db2.gz CWPVSRXDQBPWTM-SNVBAGLBSA-N 1 1 171.284 1.919 10 30 ADEEMO C=CCCN1CCC([NH2+]C)CC1 158574580 486970876 /nfs/dbraw/zinc/97/08/76/486970876.db2.gz MICBWYWNNOOKTR-UHFFFAOYSA-N 1 1 168.284 1.246 10 30 ADEEMO C=C(C)C[N@@H+]1CCn2cc(C)nc2C1 679869221 486975600 /nfs/dbraw/zinc/97/56/00/486975600.db2.gz QWCCQQCAKUJCHW-UHFFFAOYSA-N 1 1 191.278 1.583 10 30 ADEEMO C=C(C)C[N@H+]1CCn2cc(C)nc2C1 679869221 486975606 /nfs/dbraw/zinc/97/56/06/486975606.db2.gz QWCCQQCAKUJCHW-UHFFFAOYSA-N 1 1 191.278 1.583 10 30 ADEEMO C=CCC[N@@H+]1CCn2cc(C)nc2C1 679869135 486975705 /nfs/dbraw/zinc/97/57/05/486975705.db2.gz GVNOCCCNMCMTDM-UHFFFAOYSA-N 1 1 191.278 1.583 10 30 ADEEMO C=C(C)CN1CC[N@H+]2CCC[C@@H]2C1 161056040 486978513 /nfs/dbraw/zinc/97/85/13/486978513.db2.gz IOXYPYJKOQAUQZ-LLVKDONJSA-N 1 1 180.295 1.343 10 30 ADEEMO C=CCC[N@@H+]1CCCC[C@]1(C)C(N)=O 680433419 486984867 /nfs/dbraw/zinc/98/48/67/486984867.db2.gz GTCTXLQGFFTLOA-LLVKDONJSA-N 1 1 196.294 1.292 10 30 ADEEMO C=CCC[N@@H+]1CCCC[C@@]1(C)C(N)=O 680433420 486984928 /nfs/dbraw/zinc/98/49/28/486984928.db2.gz GTCTXLQGFFTLOA-NSHDSACASA-N 1 1 196.294 1.292 10 30 ADEEMO C=CCC[N@H+](C)CC1(O)CCC1 680580754 486987787 /nfs/dbraw/zinc/98/77/87/486987787.db2.gz AKRBLDMSFAQWBL-UHFFFAOYSA-N 1 1 169.268 1.409 10 30 ADEEMO C=CC[N@H+](C)CC1(O)CCC1 680580819 486987810 /nfs/dbraw/zinc/98/78/10/486987810.db2.gz FNYKKGKCNAIROU-UHFFFAOYSA-N 1 1 155.241 1.019 10 30 ADEEMO CC[N@H+](CC#CCOC)CCC1CC1 680635709 486990548 /nfs/dbraw/zinc/99/05/48/486990548.db2.gz DHJPLFPBMOUZPX-UHFFFAOYSA-N 1 1 195.306 1.758 10 30 ADEEMO C=C(C)C[N@@H+](CC)CCOC 680853538 486994300 /nfs/dbraw/zinc/99/43/00/486994300.db2.gz GGQDBJVLDMUACL-UHFFFAOYSA-N 1 1 157.257 1.531 10 30 ADEEMO C=C(C)C[N@H+](C)Cc1cnn(C)c1 680869025 486995045 /nfs/dbraw/zinc/99/50/45/486995045.db2.gz CTWKMBQFRPVVJB-UHFFFAOYSA-N 1 1 179.267 1.428 10 30 ADEEMO CC#CCC[N@@H+]1C[C@H](C)OC[C@H]1CC 680882184 486996024 /nfs/dbraw/zinc/99/60/24/486996024.db2.gz BSECRWLXOFTQLG-NWDGAFQWSA-N 1 1 195.306 1.899 10 30 ADEEMO CC#CCC[N@@H+](C)C[C@H]1CCCCO1 680882437 486996166 /nfs/dbraw/zinc/99/61/66/486996166.db2.gz HDCCUQNKCDSFSV-GFCCVEGCSA-N 1 1 195.306 1.901 10 30 ADEEMO CC#CCCN1CC[NH+](C2CC2)CC1 680882340 486996293 /nfs/dbraw/zinc/99/62/93/486996293.db2.gz GNSVWDJWUFKLSK-UHFFFAOYSA-N 1 1 192.306 1.180 10 30 ADEEMO CC#CCC[N@@H+](C)CC(C)C 680882203 486996308 /nfs/dbraw/zinc/99/63/08/486996308.db2.gz DJFBHLBWTITUSA-UHFFFAOYSA-N 1 1 153.269 1.988 10 30 ADEEMO CC#CCC[N@H+](CC)C1CC1 680882264 486996319 /nfs/dbraw/zinc/99/63/19/486996319.db2.gz FMRQEWJKDPQEAA-UHFFFAOYSA-N 1 1 151.253 1.884 10 30 ADEEMO CC#CCC[N@@H+](C)C[C@@H]1CCCCO1 680882445 486996480 /nfs/dbraw/zinc/99/64/80/486996480.db2.gz HDCCUQNKCDSFSV-LBPRGKRZSA-N 1 1 195.306 1.901 10 30 ADEEMO CC#CCC[N@@H+]1C[C@H](C)OC[C@@H]1CC 680882185 486996673 /nfs/dbraw/zinc/99/66/73/486996673.db2.gz BSECRWLXOFTQLG-RYUDHWBXSA-N 1 1 195.306 1.899 10 30 ADEEMO CC#CCC[N@@H+](C)CC1CC1 680882173 486996723 /nfs/dbraw/zinc/99/67/23/486996723.db2.gz BATPKYFLIUMRAW-UHFFFAOYSA-N 1 1 151.253 1.742 10 30 ADEEMO CC#CCC[N@@H+]1C[C@@H](C)OC[C@H]1CC 680882186 486996856 /nfs/dbraw/zinc/99/68/56/486996856.db2.gz BSECRWLXOFTQLG-VXGBXAGGSA-N 1 1 195.306 1.899 10 30 ADEEMO CC#CCC[N@@H+]1C[C@@H](C)OC[C@@H]1CC 680882183 486996874 /nfs/dbraw/zinc/99/68/74/486996874.db2.gz BSECRWLXOFTQLG-NEPJUHHUSA-N 1 1 195.306 1.899 10 30 ADEEMO CC#CCC[N@H+](C)Cc1cc[nH]n1 680883891 486997165 /nfs/dbraw/zinc/99/71/65/486997165.db2.gz GUTZAULSODCDFS-UHFFFAOYSA-N 1 1 177.251 1.255 10 30 ADEEMO CC#CCC[N@@H+](C)Cc1cc[nH]n1 680883891 486997171 /nfs/dbraw/zinc/99/71/71/486997171.db2.gz GUTZAULSODCDFS-UHFFFAOYSA-N 1 1 177.251 1.255 10 30 ADEEMO CC#CCC[N@@H+]1CCOC[C@@H]1CC 680883879 486997288 /nfs/dbraw/zinc/99/72/88/486997288.db2.gz FOYZZVDHVFGTRR-NSHDSACASA-N 1 1 181.279 1.511 10 30 ADEEMO CC#CCC[N@@H+]1CC[C@@H](COC)C1 680883835 486997349 /nfs/dbraw/zinc/99/73/49/486997349.db2.gz ANRDZDFUBBMOJK-LLVKDONJSA-N 1 1 181.279 1.368 10 30 ADEEMO CC#CCC[N@@H+]1CCOC[C@H]1CC 680883878 486997438 /nfs/dbraw/zinc/99/74/38/486997438.db2.gz FOYZZVDHVFGTRR-LLVKDONJSA-N 1 1 181.279 1.511 10 30 ADEEMO CC#CCCN1CCC[N@H+](CC)CC1 680883237 486997473 /nfs/dbraw/zinc/99/74/73/486997473.db2.gz CRUXSOTYHQGECF-UHFFFAOYSA-N 1 1 194.322 1.427 10 30 ADEEMO CC#CCC[N@H+]1CCCN(CC)CC1 680883237 486997477 /nfs/dbraw/zinc/99/74/77/486997477.db2.gz CRUXSOTYHQGECF-UHFFFAOYSA-N 1 1 194.322 1.427 10 30 ADEEMO CC#CCC[N@@H+]1CCCN(CC)CC1 680883237 486997481 /nfs/dbraw/zinc/99/74/81/486997481.db2.gz CRUXSOTYHQGECF-UHFFFAOYSA-N 1 1 194.322 1.427 10 30 ADEEMO CC#CCC[N@@H+]1CCC[C@H](OCC)C1 680883873 486997572 /nfs/dbraw/zinc/99/75/72/486997572.db2.gz FGUYVLLOOXUOKY-LBPRGKRZSA-N 1 1 195.306 1.901 10 30 ADEEMO CC#CCC[N@@H+]1CCC[C@@H](OCC)C1 680883872 486997973 /nfs/dbraw/zinc/99/79/73/486997973.db2.gz FGUYVLLOOXUOKY-GFCCVEGCSA-N 1 1 195.306 1.901 10 30 ADEEMO CC#CCC[N@@H+]1CC[C@H](COC)C1 680883836 486998101 /nfs/dbraw/zinc/99/81/01/486998101.db2.gz ANRDZDFUBBMOJK-NSHDSACASA-N 1 1 181.279 1.368 10 30 ADEEMO CC#CCC[N@H+]1CCCOC[C@H]1C 680885453 486998545 /nfs/dbraw/zinc/99/85/45/486998545.db2.gz DNDURUMMUCQACR-LLVKDONJSA-N 1 1 181.279 1.511 10 30 ADEEMO CC#CCC[N@@H+](C)C1CCOCC1 680884658 486998802 /nfs/dbraw/zinc/99/88/02/486998802.db2.gz NYCIKSPHLMJDID-UHFFFAOYSA-N 1 1 181.279 1.511 10 30 ADEEMO CC#CCC[N@@H+](C[C@H](C)O)C(C)C 680884480 486998914 /nfs/dbraw/zinc/99/89/14/486998914.db2.gz ZYWHGZFEJVRKRR-NSHDSACASA-N 1 1 183.295 1.491 10 30 ADEEMO CC#CCC[N@@H+](C[C@@H](C)O)C(C)C 680884479 486998926 /nfs/dbraw/zinc/99/89/26/486998926.db2.gz ZYWHGZFEJVRKRR-LLVKDONJSA-N 1 1 183.295 1.491 10 30 ADEEMO CC#CCC[N@H+](C)Cc1cnccn1 680884615 486998939 /nfs/dbraw/zinc/99/89/39/486998939.db2.gz LEARVYPIELXLST-UHFFFAOYSA-N 1 1 189.262 1.322 10 30 ADEEMO CC#CCC[N@@H+](C)Cc1cnccn1 680884615 486998941 /nfs/dbraw/zinc/99/89/41/486998941.db2.gz LEARVYPIELXLST-UHFFFAOYSA-N 1 1 189.262 1.322 10 30 ADEEMO CC#CCC[N@H+]1CCCOC[C@@H]1C 680885454 486999211 /nfs/dbraw/zinc/99/92/11/486999211.db2.gz DNDURUMMUCQACR-NSHDSACASA-N 1 1 181.279 1.511 10 30 ADEEMO C=C(C)C[N@H+](C)CC(=O)N(CC)CC 680906556 487001259 /nfs/dbraw/zinc/00/12/59/487001259.db2.gz AVPRWFXQBAFBCV-UHFFFAOYSA-N 1 1 198.310 1.363 10 30 ADEEMO C=CCC[NH2+]Cc1csnn1 168538874 487003110 /nfs/dbraw/zinc/00/31/10/487003110.db2.gz GKTAPCSITVNAJY-UHFFFAOYSA-N 1 1 169.253 1.204 10 30 ADEEMO C=C(C)[C@H](CO)[N@H+]1CCCC2(CC2)C1 681169002 487012029 /nfs/dbraw/zinc/01/20/29/487012029.db2.gz JAOLUEJGJVOQDF-NSHDSACASA-N 1 1 195.306 1.799 10 30 ADEEMO C=CCCC[N@H+]1CCn2ncnc2C1 681168351 487012268 /nfs/dbraw/zinc/01/22/68/487012268.db2.gz BGIXJPMEQPCYDY-UHFFFAOYSA-N 1 1 192.266 1.060 10 30 ADEEMO C=C(C)[C@@H](CO)[N@H+]1CCCC2(CC2)C1 681169001 487012719 /nfs/dbraw/zinc/01/27/19/487012719.db2.gz JAOLUEJGJVOQDF-LLVKDONJSA-N 1 1 195.306 1.799 10 30 ADEEMO C=C(C)CC[N@@H+]1CCC[C@H]1C(=O)NC 681400188 487020308 /nfs/dbraw/zinc/02/03/08/487020308.db2.gz LXTOSSAAGIVIGP-JTQLQIEISA-N 1 1 196.294 1.163 10 30 ADEEMO C=C(C)CC[N@H+]1CCCC[C@@H]1C(N)=O 681398488 487020424 /nfs/dbraw/zinc/02/04/24/487020424.db2.gz KJHOCMXEWSCOHV-SNVBAGLBSA-N 1 1 196.294 1.292 10 30 ADEEMO C=C(C)CC[NH+]1CCC(N(C)C)CC1 681399099 487020651 /nfs/dbraw/zinc/02/06/51/487020651.db2.gz MYRPFVUDHMNRNO-UHFFFAOYSA-N 1 1 196.338 1.979 10 30 ADEEMO C=C(C)CCN1CCC([NH+](C)C)CC1 681399099 487020655 /nfs/dbraw/zinc/02/06/55/487020655.db2.gz MYRPFVUDHMNRNO-UHFFFAOYSA-N 1 1 196.338 1.979 10 30 ADEEMO C=C(C)CC[N@H+](C)Cc1cnccn1 681403554 487020677 /nfs/dbraw/zinc/02/06/77/487020677.db2.gz COOLFTCOXADOTQ-UHFFFAOYSA-N 1 1 191.278 1.875 10 30 ADEEMO C=C(C)CC[N@@H+]1CCC[C@H](N(C)C)C1 681401811 487020756 /nfs/dbraw/zinc/02/07/56/487020756.db2.gz ADHUDDLLOFVFER-LBPRGKRZSA-N 1 1 196.338 1.979 10 30 ADEEMO C=C(C)CCN1CCC[C@H]([NH+](C)C)C1 681401811 487020760 /nfs/dbraw/zinc/02/07/60/487020760.db2.gz ADHUDDLLOFVFER-LBPRGKRZSA-N 1 1 196.338 1.979 10 30 ADEEMO C=C(C)CC[N@@H+](C)CCn1cccn1 681403324 487020778 /nfs/dbraw/zinc/02/07/78/487020778.db2.gz JFAFZSLOWHYIOR-UHFFFAOYSA-N 1 1 193.294 1.781 10 30 ADEEMO C=C(C)CCN1CC[NH+](C(C)C)CC1 681398342 487020810 /nfs/dbraw/zinc/02/08/10/487020810.db2.gz HTEQZLXESHYSLU-UHFFFAOYSA-N 1 1 196.338 1.979 10 30 ADEEMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C)C1=O 681403033 487020839 /nfs/dbraw/zinc/02/08/39/487020839.db2.gz BQQYJVDZNBXBIY-SNVBAGLBSA-N 1 1 196.294 1.115 10 30 ADEEMO C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C)C1 681401810 487020943 /nfs/dbraw/zinc/02/09/43/487020943.db2.gz ADHUDDLLOFVFER-GFCCVEGCSA-N 1 1 196.338 1.979 10 30 ADEEMO C=C(C)CCN1CCC[C@@H]([NH+](C)C)C1 681401810 487020948 /nfs/dbraw/zinc/02/09/48/487020948.db2.gz ADHUDDLLOFVFER-GFCCVEGCSA-N 1 1 196.338 1.979 10 30 ADEEMO C=C(C)CC[N@H+]1CCCC[C@H]1C(N)=O 681398486 487021159 /nfs/dbraw/zinc/02/11/59/487021159.db2.gz KJHOCMXEWSCOHV-JTQLQIEISA-N 1 1 196.294 1.292 10 30 ADEEMO C=C(C)CC[N@@H+]1CCC[C@@H]1C(=O)NC 681400189 487021186 /nfs/dbraw/zinc/02/11/86/487021186.db2.gz LXTOSSAAGIVIGP-SNVBAGLBSA-N 1 1 196.294 1.163 10 30 ADEEMO C=C(C)CC[N@H+](C)[C@H]1CCN(C)C1=O 681403031 487021227 /nfs/dbraw/zinc/02/12/27/487021227.db2.gz BQQYJVDZNBXBIY-JTQLQIEISA-N 1 1 196.294 1.115 10 30 ADEEMO C=C(C)CC[N@H+](C)Cc1cnn(C)c1 681400559 487021284 /nfs/dbraw/zinc/02/12/84/487021284.db2.gz FAUPRHJXRVMIRR-UHFFFAOYSA-N 1 1 193.294 1.818 10 30 ADEEMO C=C(C)CC[N@H+]1CCNC(=O)[C@@H]1CC 681404693 487021999 /nfs/dbraw/zinc/02/19/99/487021999.db2.gz ZDNACDRTBRVDQU-JTQLQIEISA-N 1 1 196.294 1.163 10 30 ADEEMO C=C(C)CC[N@@H+]1CCN(CC)[C@H](C)C1 681407666 487022053 /nfs/dbraw/zinc/02/20/53/487022053.db2.gz IGHRGXQXOJICKT-GFCCVEGCSA-N 1 1 196.338 1.979 10 30 ADEEMO C=C(C)CCN1CC[N@@H+](CC)[C@H](C)C1 681407666 487022055 /nfs/dbraw/zinc/02/20/55/487022055.db2.gz IGHRGXQXOJICKT-GFCCVEGCSA-N 1 1 196.338 1.979 10 30 ADEEMO C=C(C)CCN1CC[N@H+](CC)[C@H](C)C1 681407666 487022059 /nfs/dbraw/zinc/02/20/59/487022059.db2.gz IGHRGXQXOJICKT-GFCCVEGCSA-N 1 1 196.338 1.979 10 30 ADEEMO C=C(C)CC[N@H+]1CCNC(=O)[C@H]1CC 681404695 487022102 /nfs/dbraw/zinc/02/21/02/487022102.db2.gz ZDNACDRTBRVDQU-SNVBAGLBSA-N 1 1 196.294 1.163 10 30 ADEEMO C=C(C)CC[N@@H+]1CCN(CC)[C@@H](C)C1 681407667 487022234 /nfs/dbraw/zinc/02/22/34/487022234.db2.gz IGHRGXQXOJICKT-LBPRGKRZSA-N 1 1 196.338 1.979 10 30 ADEEMO C=C(C)CCN1CC[N@@H+](CC)[C@@H](C)C1 681407667 487022239 /nfs/dbraw/zinc/02/22/39/487022239.db2.gz IGHRGXQXOJICKT-LBPRGKRZSA-N 1 1 196.338 1.979 10 30 ADEEMO C=C(C)CCN1CC[N@H+](CC)[C@@H](C)C1 681407667 487022243 /nfs/dbraw/zinc/02/22/43/487022243.db2.gz IGHRGXQXOJICKT-LBPRGKRZSA-N 1 1 196.338 1.979 10 30 ADEEMO COCC#CC[N@H+]1CCCC[C@@H](C)C1 681464916 487022830 /nfs/dbraw/zinc/02/28/30/487022830.db2.gz FKTIKTRLDXFLND-GFCCVEGCSA-N 1 1 195.306 1.758 10 30 ADEEMO COCC#CC[N@H+]1CCCC[C@H](C)C1 681464917 487023585 /nfs/dbraw/zinc/02/35/85/487023585.db2.gz FKTIKTRLDXFLND-LBPRGKRZSA-N 1 1 195.306 1.758 10 30 ADEEMO CC#CC[N@@H+]1CC=C(COC)CC1 681471657 487024234 /nfs/dbraw/zinc/02/42/34/487024234.db2.gz HFOZTOOAGTVTAZ-UHFFFAOYSA-N 1 1 179.263 1.288 10 30 ADEEMO CC#CCC[N@@H+]1CC=C(COC)CC1 681471505 487024578 /nfs/dbraw/zinc/02/45/78/487024578.db2.gz DONLYXNNOADCRG-UHFFFAOYSA-N 1 1 193.290 1.678 10 30 ADEEMO CC#CCC[N@H+]1CCO[C@H](C2CC2)C1 681594713 487027412 /nfs/dbraw/zinc/02/74/12/487027412.db2.gz LFAWZYVKMKERGK-LBPRGKRZSA-N 1 1 193.290 1.511 10 30 ADEEMO CC#CCC[N@H+]1CCO[C@@H](C2CC2)C1 681594712 487027566 /nfs/dbraw/zinc/02/75/66/487027566.db2.gz LFAWZYVKMKERGK-GFCCVEGCSA-N 1 1 193.290 1.511 10 30 ADEEMO C=CCN(C)CC[C@H]1CCC[N@H+]1C 681695346 487030933 /nfs/dbraw/zinc/03/09/33/487030933.db2.gz AFQWEPJTCNOVBN-LLVKDONJSA-N 1 1 182.311 1.589 10 30 ADEEMO C=CC[N@@H+](C)CC(=O)NC(C)(C)CC 681695664 487031198 /nfs/dbraw/zinc/03/11/98/487031198.db2.gz IZVOULPAJDGAHU-UHFFFAOYSA-N 1 1 198.310 1.409 10 30 ADEEMO C=CC[N@H+](C)CC(=O)NC(C)(C)CC 681695664 487031201 /nfs/dbraw/zinc/03/12/01/487031201.db2.gz IZVOULPAJDGAHU-UHFFFAOYSA-N 1 1 198.310 1.409 10 30 ADEEMO C=CCN(C)CC[C@@H]1CCC[N@H+]1C 681695347 487031219 /nfs/dbraw/zinc/03/12/19/487031219.db2.gz AFQWEPJTCNOVBN-NSHDSACASA-N 1 1 182.311 1.589 10 30 ADEEMO C=CC[N@H+](C)CCCCOC 681695461 487031318 /nfs/dbraw/zinc/03/13/18/487031318.db2.gz DQUGGJMDPSLKCJ-UHFFFAOYSA-N 1 1 157.257 1.531 10 30 ADEEMO C=CC[N@H+](C)CCc1cnn(C)c1 681695453 487031339 /nfs/dbraw/zinc/03/13/39/487031339.db2.gz DDWMGKXMZFYPAK-UHFFFAOYSA-N 1 1 179.267 1.080 10 30 ADEEMO C=CC[N@@H+](C)CCc1c(C)noc1C 681696435 487032187 /nfs/dbraw/zinc/03/21/87/487032187.db2.gz AESMMSTZTYSTFJ-UHFFFAOYSA-N 1 1 194.278 1.952 10 30 ADEEMO C=CC[N@H+](C)CCCOCC 681696458 487032200 /nfs/dbraw/zinc/03/22/00/487032200.db2.gz BFXVUHUNBZFMLE-UHFFFAOYSA-N 1 1 157.257 1.531 10 30 ADEEMO C=CC[N@H+](C)[C@@H](C)C(=O)N(C)C(C)C 681696553 487032172 /nfs/dbraw/zinc/03/21/72/487032172.db2.gz FPSBSMPORLWWPJ-JTQLQIEISA-N 1 1 198.310 1.360 10 30 ADEEMO C=CC[N@@H+](C)CC(=O)N1CCCCC1 681696584 487032306 /nfs/dbraw/zinc/03/23/06/487032306.db2.gz HILDNWGYCVQRKZ-UHFFFAOYSA-N 1 1 196.294 1.117 10 30 ADEEMO C=CC[N@H+](C)CC(=O)N1CCCCC1 681696584 487032310 /nfs/dbraw/zinc/03/23/10/487032310.db2.gz HILDNWGYCVQRKZ-UHFFFAOYSA-N 1 1 196.294 1.117 10 30 ADEEMO C=CC[N@@H+](C)CCn1nc(C)cc1C 681696506 487032531 /nfs/dbraw/zinc/03/25/31/487032531.db2.gz CPZDJCPGKNKALK-UHFFFAOYSA-N 1 1 193.294 1.618 10 30 ADEEMO C=CC[N@H+](C)[C@H](C)C(=O)N(C)C(C)C 681696554 487032618 /nfs/dbraw/zinc/03/26/18/487032618.db2.gz FPSBSMPORLWWPJ-SNVBAGLBSA-N 1 1 198.310 1.360 10 30 ADEEMO C=CC[N@H+](C)Cc1ccc(OC)cn1 681696571 487032720 /nfs/dbraw/zinc/03/27/20/487032720.db2.gz GMJHXLPZEBHTEU-UHFFFAOYSA-N 1 1 192.262 1.708 10 30 ADEEMO C=CC[N@@H+](C)CCn1cc(C)cn1 681696792 487032811 /nfs/dbraw/zinc/03/28/11/487032811.db2.gz QNLRAMMSHRSOGY-UHFFFAOYSA-N 1 1 179.267 1.309 10 30 ADEEMO C=CC[N@@H+](C)CCn1ccnc1C 681696449 487032853 /nfs/dbraw/zinc/03/28/53/487032853.db2.gz ARSOJVKBKDNOQB-UHFFFAOYSA-N 1 1 179.267 1.309 10 30 ADEEMO C=CC[N@H+](C)Cc1cnn(C)c1C 681696550 487032907 /nfs/dbraw/zinc/03/29/07/487032907.db2.gz FLAMLLHKAZNTHL-UHFFFAOYSA-N 1 1 179.267 1.346 10 30 ADEEMO COCC#CC[N@H+]1CC[C@H]2CCC[C@H]21 681711671 487035913 /nfs/dbraw/zinc/03/59/13/487035913.db2.gz GMLWWEWXGSEIEY-VXGBXAGGSA-N 1 1 193.290 1.511 10 30 ADEEMO CC#CC[N@@H+](C)[C@]1(CO)CC[C@@H](C)C1 681711431 487036015 /nfs/dbraw/zinc/03/60/15/487036015.db2.gz VBSHDZDGGKIABC-VXGBXAGGSA-N 1 1 195.306 1.493 10 30 ADEEMO CC#CC[N@@H+](C)[C@@]1(CO)CC[C@H](C)C1 681711430 487036044 /nfs/dbraw/zinc/03/60/44/487036044.db2.gz VBSHDZDGGKIABC-RYUDHWBXSA-N 1 1 195.306 1.493 10 30 ADEEMO COCC#CC[N@H+]1CC[C@H]2CCC[C@@H]21 681711668 487036133 /nfs/dbraw/zinc/03/61/33/487036133.db2.gz GMLWWEWXGSEIEY-NEPJUHHUSA-N 1 1 193.290 1.511 10 30 ADEEMO COCC#CC[N@H+]1CC[C@@H]2CCC[C@@H]21 681711670 487036263 /nfs/dbraw/zinc/03/62/63/487036263.db2.gz GMLWWEWXGSEIEY-RYUDHWBXSA-N 1 1 193.290 1.511 10 30 ADEEMO CC#CC[N@@H+](C)[C@]1(CO)CC[C@H](C)C1 681711429 487036612 /nfs/dbraw/zinc/03/66/12/487036612.db2.gz VBSHDZDGGKIABC-NWDGAFQWSA-N 1 1 195.306 1.493 10 30 ADEEMO COCC#CC[N@H+]1CC[C@@H]2CCC[C@H]21 681711669 487036650 /nfs/dbraw/zinc/03/66/50/487036650.db2.gz GMLWWEWXGSEIEY-NWDGAFQWSA-N 1 1 193.290 1.511 10 30 ADEEMO CC#CC[N@@H+](C)[C@@]1(CO)CC[C@@H](C)C1 681711428 487036780 /nfs/dbraw/zinc/03/67/80/487036780.db2.gz VBSHDZDGGKIABC-NEPJUHHUSA-N 1 1 195.306 1.493 10 30 ADEEMO C=CC[N@H+](C)Cc1nc(C)ccc1O 681758198 487038238 /nfs/dbraw/zinc/03/82/38/487038238.db2.gz IXEGMTWWFZUVGJ-UHFFFAOYSA-N 1 1 192.262 1.713 10 30 ADEEMO C=CC[N@H+](C)Cc1cn(C)nc1CC 681758111 487038294 /nfs/dbraw/zinc/03/82/94/487038294.db2.gz BKOPNSIPJFMMRV-UHFFFAOYSA-N 1 1 193.294 1.600 10 30 ADEEMO C=CC[N@H+](C)Cc1cnn(CCC)c1 681758315 487038518 /nfs/dbraw/zinc/03/85/18/487038518.db2.gz RSFHFDKVYRSNDF-UHFFFAOYSA-N 1 1 193.294 1.911 10 30 ADEEMO C=CCOCC[N@H+](C)CCOCC 224544217 487041083 /nfs/dbraw/zinc/04/10/83/487041083.db2.gz AIPLGRNMLIYQJR-UHFFFAOYSA-N 1 1 187.283 1.157 10 30 ADEEMO CC#CCC[N@H+]1C[C@H](C)O[C@@H](C)[C@H]1C 682091676 487045212 /nfs/dbraw/zinc/04/52/12/487045212.db2.gz ZKZRJFWJMHOOHU-TUAOUCFPSA-N 1 1 195.306 1.898 10 30 ADEEMO CC#CCC[N@H+]1C[C@H](C)O[C@H](C)[C@@H]1C 682091674 487045459 /nfs/dbraw/zinc/04/54/59/487045459.db2.gz ZKZRJFWJMHOOHU-SDDRHHMPSA-N 1 1 195.306 1.898 10 30 ADEEMO CCC#C[C@H](C)[N@@H+](C)CC1(CO)CC1 682090465 487045473 /nfs/dbraw/zinc/04/54/73/487045473.db2.gz PJQSOEIYDMDAIG-NSHDSACASA-N 1 1 195.306 1.493 10 30 ADEEMO CCC#C[C@@H](C)[N@@H+](C)CC1(CO)CC1 682090464 487045539 /nfs/dbraw/zinc/04/55/39/487045539.db2.gz PJQSOEIYDMDAIG-LLVKDONJSA-N 1 1 195.306 1.493 10 30 ADEEMO CC#CCC[N@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C 682091675 487045992 /nfs/dbraw/zinc/04/59/92/487045992.db2.gz ZKZRJFWJMHOOHU-SRVKXCTJSA-N 1 1 195.306 1.898 10 30 ADEEMO CC#CCC[N@H+]1C[C@H](C)O[C@H](C)[C@H]1C 682091673 487046132 /nfs/dbraw/zinc/04/61/32/487046132.db2.gz ZKZRJFWJMHOOHU-QJPTWQEYSA-N 1 1 195.306 1.898 10 30 ADEEMO CC#CCC[N@H+]1CC[C@H](C)[C@@H](OC)C1 682221340 487052259 /nfs/dbraw/zinc/05/22/59/487052259.db2.gz XCUXMUZSBBYFQY-RYUDHWBXSA-N 1 1 195.306 1.757 10 30 ADEEMO CC#CCC[N@@H+](C)[C@H]1CC[C@H](O)CC1 682223490 487052280 /nfs/dbraw/zinc/05/22/80/487052280.db2.gz FKSYTXZCAOJSQP-HAQNSBGRSA-N 1 1 195.306 1.635 10 30 ADEEMO CC#CCC[N@H+]1CC[C@@H](C)[C@@H](OC)C1 682221338 487052303 /nfs/dbraw/zinc/05/23/03/487052303.db2.gz XCUXMUZSBBYFQY-NEPJUHHUSA-N 1 1 195.306 1.757 10 30 ADEEMO CC#CCC[N@H+]1CC[C@H](C)[C@H](OC)C1 682221339 487052384 /nfs/dbraw/zinc/05/23/84/487052384.db2.gz XCUXMUZSBBYFQY-NWDGAFQWSA-N 1 1 195.306 1.757 10 30 ADEEMO CC#CCC[N@H+]1CC[C@@H](C)[C@H](OC)C1 682221341 487052513 /nfs/dbraw/zinc/05/25/13/487052513.db2.gz XCUXMUZSBBYFQY-VXGBXAGGSA-N 1 1 195.306 1.757 10 30 ADEEMO CC#CCC[N@H+]1CCO[C@@](C)(CC)C1 682368731 487053742 /nfs/dbraw/zinc/05/37/42/487053742.db2.gz BSGDVDXSGZHYSF-LBPRGKRZSA-N 1 1 195.306 1.901 10 30 ADEEMO CC#CCC[N@H+]1CCO[C@](C)(CC)C1 682368730 487054229 /nfs/dbraw/zinc/05/42/29/487054229.db2.gz BSGDVDXSGZHYSF-GFCCVEGCSA-N 1 1 195.306 1.901 10 30 ADEEMO C=CCC[N@H+](C)Cc1cnc(C)nc1 682434948 487058052 /nfs/dbraw/zinc/05/80/52/487058052.db2.gz FDFAHNSHBDSMHO-UHFFFAOYSA-N 1 1 191.278 1.793 10 30 ADEEMO C=CCC[N@H+](C)CCn1cc(C)cn1 682435406 487058248 /nfs/dbraw/zinc/05/82/48/487058248.db2.gz QWQMYEIKFATRPN-UHFFFAOYSA-N 1 1 193.294 1.699 10 30 ADEEMO C=CCC[N@@H+](C)[C@@H](C)c1nc(C)no1 682434993 487058256 /nfs/dbraw/zinc/05/82/56/487058256.db2.gz GPLQOLAPFWDXRM-QMMMGPOBSA-N 1 1 195.266 1.947 10 30 ADEEMO C=CCC[N@H+](C)[C@@H](C)c1nc(C)no1 682434993 487058261 /nfs/dbraw/zinc/05/82/61/487058261.db2.gz GPLQOLAPFWDXRM-QMMMGPOBSA-N 1 1 195.266 1.947 10 30 ADEEMO C=CCC[N@H+](C)CCc1cnn(C)c1 682435017 487058278 /nfs/dbraw/zinc/05/82/78/487058278.db2.gz HBTXFQZUNHTRLQ-UHFFFAOYSA-N 1 1 193.294 1.471 10 30 ADEEMO C=CCC[N@H+](C)Cc1cc(C)no1 682434994 487058392 /nfs/dbraw/zinc/05/83/92/487058392.db2.gz GRZWTVNJTPFYQG-UHFFFAOYSA-N 1 1 180.251 1.991 10 30 ADEEMO C=CCC[N@@H+](C)Cc1ncc(C)cn1 682435386 487058606 /nfs/dbraw/zinc/05/86/06/487058606.db2.gz QIOCHNLKPSKHCC-UHFFFAOYSA-N 1 1 191.278 1.793 10 30 ADEEMO C=CCC[N@H+](C)Cc1ncc(C)cn1 682435386 487058611 /nfs/dbraw/zinc/05/86/11/487058611.db2.gz QIOCHNLKPSKHCC-UHFFFAOYSA-N 1 1 191.278 1.793 10 30 ADEEMO C=CCC[N@H+](C)Cc1cnn(C)c1C 682434923 487058621 /nfs/dbraw/zinc/05/86/21/487058621.db2.gz CJSLBTRYPSHMHU-UHFFFAOYSA-N 1 1 193.294 1.736 10 30 ADEEMO C=CCC[N@@H+](C)Cc1nccn1CC 682435021 487058722 /nfs/dbraw/zinc/05/87/22/487058722.db2.gz HMSQGSMVZXZHGD-UHFFFAOYSA-N 1 1 193.294 1.911 10 30 ADEEMO C=CCC[N@H+](C)Cc1nccn1CC 682435021 487058727 /nfs/dbraw/zinc/05/87/27/487058727.db2.gz HMSQGSMVZXZHGD-UHFFFAOYSA-N 1 1 193.294 1.911 10 30 ADEEMO C=CCC[N@H+](C)CCn1ccnc1C 682434904 487059010 /nfs/dbraw/zinc/05/90/10/487059010.db2.gz BXENDSGPXYGFNL-UHFFFAOYSA-N 1 1 193.294 1.699 10 30 ADEEMO C=CCC[N@@H+](C)[C@H](C)c1nc(C)no1 682434991 487059112 /nfs/dbraw/zinc/05/91/12/487059112.db2.gz GPLQOLAPFWDXRM-MRVPVSSYSA-N 1 1 195.266 1.947 10 30 ADEEMO C=CCC[N@H+](C)[C@H](C)c1nc(C)no1 682434991 487059115 /nfs/dbraw/zinc/05/91/15/487059115.db2.gz GPLQOLAPFWDXRM-MRVPVSSYSA-N 1 1 195.266 1.947 10 30 ADEEMO C=CCC[N@H+](C)Cc1ccnn1CC 682436290 487059792 /nfs/dbraw/zinc/05/97/92/487059792.db2.gz DMAORKUSQIISPL-UHFFFAOYSA-N 1 1 193.294 1.911 10 30 ADEEMO C=CCC[N@H+](C)CCC(=O)NC(C)C 682435525 487060343 /nfs/dbraw/zinc/06/03/43/487060343.db2.gz XDYBNNWVGWFMJW-UHFFFAOYSA-N 1 1 198.310 1.409 10 30 ADEEMO C=CC[N@H+](C)CCC(C)(C)OC 682535267 487062897 /nfs/dbraw/zinc/06/28/97/487062897.db2.gz ULTIARFSQRHMPF-UHFFFAOYSA-N 1 1 171.284 1.919 10 30 ADEEMO C=C[C@@H](C)[NH2+]Cc1ncnn1C(C)C 229200045 487065151 /nfs/dbraw/zinc/06/51/51/487065151.db2.gz KLZFTLMRJKOVIV-SECBINFHSA-N 1 1 194.282 1.523 10 30 ADEEMO C=C[C@H](C)[NH2+]Cc1ncnn1C(C)C 229200036 487065269 /nfs/dbraw/zinc/06/52/69/487065269.db2.gz KLZFTLMRJKOVIV-VIFPVBQESA-N 1 1 194.282 1.523 10 30 ADEEMO C=CC[N@H+]1CCCN(CCC)C(=O)C1 682649540 487065277 /nfs/dbraw/zinc/06/52/77/487065277.db2.gz CYVCENDIMYOLHW-UHFFFAOYSA-N 1 1 196.294 1.117 10 30 ADEEMO C=CC[N@@H+]1CCCN(CCC)C(=O)C1 682649540 487065281 /nfs/dbraw/zinc/06/52/81/487065281.db2.gz CYVCENDIMYOLHW-UHFFFAOYSA-N 1 1 196.294 1.117 10 30 ADEEMO C=CC[N@H+](C)C[C@@H]1CC[C@H](C)O1 682774254 487068684 /nfs/dbraw/zinc/06/86/84/487068684.db2.gz DCGHIOXKNDLJLP-UWVGGRQHSA-N 1 1 169.268 1.672 10 30 ADEEMO C=CC[N@H+](C)C[C@H]1CC[C@@H](C)O1 682774253 487068833 /nfs/dbraw/zinc/06/88/33/487068833.db2.gz DCGHIOXKNDLJLP-NXEZZACHSA-N 1 1 169.268 1.672 10 30 ADEEMO C=CC[N@H+](C)C[C@@H]1CC[C@@H](C)O1 682774256 487069359 /nfs/dbraw/zinc/06/93/59/487069359.db2.gz DCGHIOXKNDLJLP-ZJUUUORDSA-N 1 1 169.268 1.672 10 30 ADEEMO C=CC[N@H+](C)C[C@H]1CC[C@H](C)O1 682774255 487070198 /nfs/dbraw/zinc/07/01/98/487070198.db2.gz DCGHIOXKNDLJLP-VHSXEESVSA-N 1 1 169.268 1.672 10 30 ADEEMO C=CC[N@H+](C(C)C)[C@H]1CCOC1 683041198 487078747 /nfs/dbraw/zinc/07/87/47/487078747.db2.gz QXHCINFQZYNSLC-JTQLQIEISA-N 1 1 169.268 1.672 10 30 ADEEMO C=CC[N@H+](CCOC)CC(=C)C 683040683 487077498 /nfs/dbraw/zinc/07/74/98/487077498.db2.gz FHZYKHBKJKQJDT-UHFFFAOYSA-N 1 1 169.268 1.697 10 30 ADEEMO C=CC[N@@H+](CC#CC)CCOC 683040871 487077851 /nfs/dbraw/zinc/07/78/51/487077851.db2.gz HMAFOKPZXITVNR-UHFFFAOYSA-N 1 1 167.252 1.144 10 30 ADEEMO C=CC[N@H+](CCOC)[C@H](CO)C(=C)C 683040608 487078106 /nfs/dbraw/zinc/07/81/06/487078106.db2.gz CEDPYEYOUBQOAW-LLVKDONJSA-N 1 1 199.294 1.058 10 30 ADEEMO C=CC[N@H+](CCOC)[C@@H](CO)C(=C)C 683040610 487078287 /nfs/dbraw/zinc/07/82/87/487078287.db2.gz CEDPYEYOUBQOAW-NSHDSACASA-N 1 1 199.294 1.058 10 30 ADEEMO C=C(CC)C[N@@H+]1C[C@H](OC)[C@H](OC)C1 683096946 487078733 /nfs/dbraw/zinc/07/87/33/487078733.db2.gz GYOKGFSEXCZIID-PHIMTYICSA-N 1 1 199.294 1.298 10 30 ADEEMO C=CCCC[N@H+]1C[C@H](OC)[C@H](OC)C1 683096936 487078813 /nfs/dbraw/zinc/07/88/13/487078813.db2.gz GNUWAZAMVZYNIW-PHIMTYICSA-N 1 1 199.294 1.298 10 30 ADEEMO C=CC[N@H+](CC)[C@@H]1CCOC1 683041210 487078949 /nfs/dbraw/zinc/07/89/49/487078949.db2.gz QYMVFEURTZUPJO-SECBINFHSA-N 1 1 155.241 1.283 10 30 ADEEMO C=CC[N@H+](CCOC)CC1(O)CCC1 683041176 487078970 /nfs/dbraw/zinc/07/89/70/487078970.db2.gz PZXSDOIHFODKOE-UHFFFAOYSA-N 1 1 199.294 1.036 10 30 ADEEMO C=CC[N@H+](CC)[C@H]1CCOC1 683041211 487079174 /nfs/dbraw/zinc/07/91/74/487079174.db2.gz QYMVFEURTZUPJO-VIFPVBQESA-N 1 1 155.241 1.283 10 30 ADEEMO C=CC[N@H+](C(C)C)[C@@H]1CCOC1 683041199 487079287 /nfs/dbraw/zinc/07/92/87/487079287.db2.gz QXHCINFQZYNSLC-SNVBAGLBSA-N 1 1 169.268 1.672 10 30 ADEEMO C=CCCC[N@@H+](CC)CCN 231819305 487079990 /nfs/dbraw/zinc/07/99/90/487079990.db2.gz CXOAULDZZLCOOF-UHFFFAOYSA-N 1 1 156.273 1.233 10 30 ADEEMO C=CCCCN(CC)CC[NH3+] 231819305 487079994 /nfs/dbraw/zinc/07/99/94/487079994.db2.gz CXOAULDZZLCOOF-UHFFFAOYSA-N 1 1 156.273 1.233 10 30 ADEEMO C=C(C)CC[N@H+]1CCc2nn[nH]c2C1 683223744 487086696 /nfs/dbraw/zinc/08/66/96/487086696.db2.gz UDQPQLJDZSCILC-UHFFFAOYSA-N 1 1 192.266 1.129 10 30 ADEEMO C=C(C)CC[N@@H+]1CCc2n[nH]nc2C1 683223744 487086701 /nfs/dbraw/zinc/08/67/01/487086701.db2.gz UDQPQLJDZSCILC-UHFFFAOYSA-N 1 1 192.266 1.129 10 30 ADEEMO CC#CCC[N@H+]1CCC12CCOCC2 683526279 487092176 /nfs/dbraw/zinc/09/21/76/487092176.db2.gz ZIUJMPADBXVHOY-UHFFFAOYSA-N 1 1 193.290 1.655 10 30 ADEEMO CC#CC[N@H+]1CCC12CCOCC2 683525485 487092249 /nfs/dbraw/zinc/09/22/49/487092249.db2.gz YNCFFWUXBGJXDZ-UHFFFAOYSA-N 1 1 179.263 1.265 10 30 ADEEMO C=C(C)C[N@H+]1CCC12CCOCC2 683525802 487092625 /nfs/dbraw/zinc/09/26/25/487092625.db2.gz GMHFAWWDKCQWGO-UHFFFAOYSA-N 1 1 181.279 1.817 10 30 ADEEMO C=C[C@H]1CCCC[N@@H+]1C[C@H](O)COC 683792825 487097799 /nfs/dbraw/zinc/09/77/99/487097799.db2.gz BRTLLZLQTUYPIM-QWRGUYRKSA-N 1 1 199.294 1.034 10 30 ADEEMO C=C[C@H]1CCCC[N@@H+]1C[C@@H](O)COC 683792826 487097883 /nfs/dbraw/zinc/09/78/83/487097883.db2.gz BRTLLZLQTUYPIM-WDEREUQCSA-N 1 1 199.294 1.034 10 30 ADEEMO C=C[C@@H]1CCCC[N@@H+]1C[C@H](O)COC 683792824 487098020 /nfs/dbraw/zinc/09/80/20/487098020.db2.gz BRTLLZLQTUYPIM-MNOVXSKESA-N 1 1 199.294 1.034 10 30 ADEEMO C=C[C@@H]1CCCC[N@@H+]1C[C@@H](O)COC 683792823 487098171 /nfs/dbraw/zinc/09/81/71/487098171.db2.gz BRTLLZLQTUYPIM-GHMZBOCLSA-N 1 1 199.294 1.034 10 30 ADEEMO C=C(C)C[N@H+](CCOC)[C@H]1CCOC1 683802572 487098846 /nfs/dbraw/zinc/09/88/46/487098846.db2.gz YXJRFVBOBCUVGK-NSHDSACASA-N 1 1 199.294 1.300 10 30 ADEEMO C=C(C)C[N@H+](CCOC)[C@@H]1CCOC1 683802571 487099051 /nfs/dbraw/zinc/09/90/51/487099051.db2.gz YXJRFVBOBCUVGK-LLVKDONJSA-N 1 1 199.294 1.300 10 30 ADEEMO COCC#CC[N@@H+](C)C1(C)CCCC1 683805473 487098917 /nfs/dbraw/zinc/09/89/17/487098917.db2.gz NPESEEOSDLBBGT-UHFFFAOYSA-N 1 1 195.306 1.901 10 30 ADEEMO C=CCC[N@H+](CCOC)[C@H]1CCOC1 683801680 487099000 /nfs/dbraw/zinc/09/90/00/487099000.db2.gz DOKVMSCKCUEQMI-NSHDSACASA-N 1 1 199.294 1.300 10 30 ADEEMO C=CCC[N@H+](CCOC)[C@@H]1CCOC1 683801679 487099018 /nfs/dbraw/zinc/09/90/18/487099018.db2.gz DOKVMSCKCUEQMI-LLVKDONJSA-N 1 1 199.294 1.300 10 30 ADEEMO C=CCCC[N@H+]1C[C@@H](C)[C@@H](N)C1 235361019 487103714 /nfs/dbraw/zinc/10/37/14/487103714.db2.gz INJKTLLTBPLRLX-ZJUUUORDSA-N 1 1 168.284 1.232 10 30 ADEEMO C=CCCC[N@@H+]1C[C@@H](C)[C@@H](N)C1 235361019 487103720 /nfs/dbraw/zinc/10/37/20/487103720.db2.gz INJKTLLTBPLRLX-ZJUUUORDSA-N 1 1 168.284 1.232 10 30 ADEEMO C=CCCC[N@@H+]1C[C@H](C)[C@@H]([NH3+])C1 235585813 487105837 /nfs/dbraw/zinc/10/58/37/487105837.db2.gz INJKTLLTBPLRLX-UWVGGRQHSA-N 1 1 168.284 1.232 10 30 ADEEMO C=CCCC[N@H+]1C[C@H](C)[C@@H](N)C1 235585813 487105845 /nfs/dbraw/zinc/10/58/45/487105845.db2.gz INJKTLLTBPLRLX-UWVGGRQHSA-N 1 1 168.284 1.232 10 30 ADEEMO C=CCCC[N@@H+]1C[C@H](C)[C@@H](N)C1 235585813 487105853 /nfs/dbraw/zinc/10/58/53/487105853.db2.gz INJKTLLTBPLRLX-UWVGGRQHSA-N 1 1 168.284 1.232 10 30 ADEEMO CC#CC[N@@H+]1CCO[C@@H](C(C)(C)C)C1 684102475 487107563 /nfs/dbraw/zinc/10/75/63/487107563.db2.gz CBTMAJSXZRHIKZ-LLVKDONJSA-N 1 1 195.306 1.757 10 30 ADEEMO CC#CC[N@H+]1CCO[C@@H](C(C)(C)C)C1 684102475 487107569 /nfs/dbraw/zinc/10/75/69/487107569.db2.gz CBTMAJSXZRHIKZ-LLVKDONJSA-N 1 1 195.306 1.757 10 30 ADEEMO CC#CC[N@@H+]1CCO[C@H](C(C)(C)C)C1 684102476 487107799 /nfs/dbraw/zinc/10/77/99/487107799.db2.gz CBTMAJSXZRHIKZ-NSHDSACASA-N 1 1 195.306 1.757 10 30 ADEEMO CC#CC[N@H+]1CCO[C@H](C(C)(C)C)C1 684102476 487107804 /nfs/dbraw/zinc/10/78/04/487107804.db2.gz CBTMAJSXZRHIKZ-NSHDSACASA-N 1 1 195.306 1.757 10 30 ADEEMO C=CCCCNC(=O)[C@@H]1CC[N@H+](C)C1 684154672 487109273 /nfs/dbraw/zinc/10/92/73/487109273.db2.gz FSXNIANJUIFLEN-SNVBAGLBSA-N 1 1 196.294 1.021 10 30 ADEEMO C=CCCCNC(=O)C[N@H+](C)CCC 684154666 487109587 /nfs/dbraw/zinc/10/95/87/487109587.db2.gz DQRODZVGNUWCKC-UHFFFAOYSA-N 1 1 198.310 1.411 10 30 ADEEMO C=CCCCNC(=O)[C@H]1CC[N@H+](C)C1 684154671 487109595 /nfs/dbraw/zinc/10/95/95/487109595.db2.gz FSXNIANJUIFLEN-JTQLQIEISA-N 1 1 196.294 1.021 10 30 ADEEMO C=CCCCNC(=O)C[N@H+](C)C(C)C 684155159 487110231 /nfs/dbraw/zinc/11/02/31/487110231.db2.gz RCPGLKCTYFEDEN-UHFFFAOYSA-N 1 1 198.310 1.409 10 30 ADEEMO C=CCNC(=O)[C@H](C)[N@H+]1[C@@H](C)C[C@H]1C 684208314 487111628 /nfs/dbraw/zinc/11/16/28/487111628.db2.gz KQPRMXJSVCKGEI-AEJSXWLSSA-N 1 1 196.294 1.160 10 30 ADEEMO C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H](C)C[C@H]1C 684208320 487111741 /nfs/dbraw/zinc/11/17/41/487111741.db2.gz KQPRMXJSVCKGEI-KXUCPTDWSA-N 1 1 196.294 1.160 10 30 ADEEMO C=C(C)C[N@H+](C)Cc1ccnc(C)n1 684619804 487125276 /nfs/dbraw/zinc/12/52/76/487125276.db2.gz PSNVTPHRHXWOQA-UHFFFAOYSA-N 1 1 191.278 1.793 10 30 ADEEMO C=C(C)C[N@H+](CCO)[C@H]1CCO[C@@H]1C 684627817 487126988 /nfs/dbraw/zinc/12/69/88/487126988.db2.gz BAFRIIGPRNQQNP-MNOVXSKESA-N 1 1 199.294 1.034 10 30 ADEEMO C=C(C)CC[N@H+]1CC[C@](C)(C(N)=O)C1 684627794 487127194 /nfs/dbraw/zinc/12/71/94/487127194.db2.gz AHIMCMVTMIZEOA-NSHDSACASA-N 1 1 196.294 1.150 10 30 ADEEMO C=C(C)C[N@H+](CCO)[C@@H]1CCO[C@@H]1C 684627816 487127440 /nfs/dbraw/zinc/12/74/40/487127440.db2.gz BAFRIIGPRNQQNP-GHMZBOCLSA-N 1 1 199.294 1.034 10 30 ADEEMO C=C(C)CC[N@H+]1CC[C@@](C)(C(N)=O)C1 684627793 487127451 /nfs/dbraw/zinc/12/74/51/487127451.db2.gz AHIMCMVTMIZEOA-LLVKDONJSA-N 1 1 196.294 1.150 10 30 ADEEMO C=CCC[N@H+](C)Cc1ccnc(C)n1 684620052 487127755 /nfs/dbraw/zinc/12/77/55/487127755.db2.gz FRTYFNQLKIMFNV-UHFFFAOYSA-N 1 1 191.278 1.793 10 30 ADEEMO C=C(C)C[N@H+](CCO)[C@@H]1CCO[C@H]1C 684627819 487128487 /nfs/dbraw/zinc/12/84/87/487128487.db2.gz BAFRIIGPRNQQNP-WDEREUQCSA-N 1 1 199.294 1.034 10 30 ADEEMO C=CCC[N@H+](CCO)[C@@H]1CCO[C@@H]1C 684629252 487128650 /nfs/dbraw/zinc/12/86/50/487128650.db2.gz VNCVQTSGBAALBC-GHMZBOCLSA-N 1 1 199.294 1.034 10 30 ADEEMO C=CCC[N@H+](CCO)[C@H]1CCO[C@@H]1C 684629253 487128813 /nfs/dbraw/zinc/12/88/13/487128813.db2.gz VNCVQTSGBAALBC-MNOVXSKESA-N 1 1 199.294 1.034 10 30 ADEEMO C=C(C)[C@@H](CO)[N@H+]1CCC(C)=C(C)C1 684629600 487128822 /nfs/dbraw/zinc/12/88/22/487128822.db2.gz XECFCVPYRBBZIT-GFCCVEGCSA-N 1 1 195.306 1.966 10 30 ADEEMO C=C(C)C[N@H+](CCO)[C@H]1CCO[C@H]1C 684627818 487128933 /nfs/dbraw/zinc/12/89/33/487128933.db2.gz BAFRIIGPRNQQNP-QWRGUYRKSA-N 1 1 199.294 1.034 10 30 ADEEMO C=C(C)[C@H](CO)[N@H+]1CCC(C)=C(C)C1 684629601 487129028 /nfs/dbraw/zinc/12/90/28/487129028.db2.gz XECFCVPYRBBZIT-LBPRGKRZSA-N 1 1 195.306 1.966 10 30 ADEEMO C=CCC[N@H+](CCO)[C@@H]1CCO[C@H]1C 684629255 487129187 /nfs/dbraw/zinc/12/91/87/487129187.db2.gz VNCVQTSGBAALBC-WDEREUQCSA-N 1 1 199.294 1.034 10 30 ADEEMO C=CCC[N@H+](CCO)[C@H]1CCO[C@H]1C 684629254 487129231 /nfs/dbraw/zinc/12/92/31/487129231.db2.gz VNCVQTSGBAALBC-QWRGUYRKSA-N 1 1 199.294 1.034 10 30 ADEEMO C=C(C)[C@H](CO)[N@@H+]1CC(C)=C[C@H](C)C1 684669324 487129613 /nfs/dbraw/zinc/12/96/13/487129613.db2.gz AEGITOQKCGPUBI-JQWIXIFHSA-N 1 1 195.306 1.821 10 30 ADEEMO COCC#CC[N@@H+]1CC(C)=C[C@@H](C)C1 684669520 487129629 /nfs/dbraw/zinc/12/96/29/487129629.db2.gz SEVGRFUVDDQKAF-LLVKDONJSA-N 1 1 193.290 1.534 10 30 ADEEMO COCC#CC[N@@H+]1CC(C)=C[C@H](C)C1 684669521 487129655 /nfs/dbraw/zinc/12/96/55/487129655.db2.gz SEVGRFUVDDQKAF-NSHDSACASA-N 1 1 193.290 1.534 10 30 ADEEMO C=C(C)[C@H](CO)[N@@H+]1CC(C)=C[C@@H](C)C1 684669325 487129939 /nfs/dbraw/zinc/12/99/39/487129939.db2.gz AEGITOQKCGPUBI-PWSUYJOCSA-N 1 1 195.306 1.821 10 30 ADEEMO C=C(C)[C@@H](CO)[N@@H+]1CC(C)=C[C@@H](C)C1 684669326 487130019 /nfs/dbraw/zinc/13/00/19/487130019.db2.gz AEGITOQKCGPUBI-ZYHUDNBSSA-N 1 1 195.306 1.821 10 30 ADEEMO C=C(C)[C@@H](CO)[N@@H+]1CC(C)=C[C@H](C)C1 684669323 487130029 /nfs/dbraw/zinc/13/00/29/487130029.db2.gz AEGITOQKCGPUBI-CMPLNLGQSA-N 1 1 195.306 1.821 10 30 ADEEMO C=CCN1CC[C@H]([N@H+](C)CCC)C1=O 685000001 487138775 /nfs/dbraw/zinc/13/87/75/487138775.db2.gz AXEAVKUZDZINDR-JTQLQIEISA-N 1 1 196.294 1.115 10 30 ADEEMO C=CCN1CC[C@@H]([N@H+](C)CCC)C1=O 685000002 487138816 /nfs/dbraw/zinc/13/88/16/487138816.db2.gz AXEAVKUZDZINDR-SNVBAGLBSA-N 1 1 196.294 1.115 10 30 ADEEMO CC#CCC[N@H+]1CCCO[C@@H](CC)C1 685006938 487139758 /nfs/dbraw/zinc/13/97/58/487139758.db2.gz IFRGNLFMZRDLFZ-LBPRGKRZSA-N 1 1 195.306 1.901 10 30 ADEEMO CC#CCC[N@H+]1CCCO[C@H](CC)C1 685006937 487139834 /nfs/dbraw/zinc/13/98/34/487139834.db2.gz IFRGNLFMZRDLFZ-GFCCVEGCSA-N 1 1 195.306 1.901 10 30 ADEEMO C=CCCC[N@@H+]1C[C@H](C)[C@H]([NH3+])C1 300048246 487142495 /nfs/dbraw/zinc/14/24/95/487142495.db2.gz INJKTLLTBPLRLX-VHSXEESVSA-N 1 1 168.284 1.232 10 30 ADEEMO C=CCCC[N@H+]1C[C@H](C)[C@H](N)C1 300048246 487142500 /nfs/dbraw/zinc/14/25/00/487142500.db2.gz INJKTLLTBPLRLX-VHSXEESVSA-N 1 1 168.284 1.232 10 30 ADEEMO C=CCCC[N@@H+]1C[C@H](C)[C@H](N)C1 300048246 487142502 /nfs/dbraw/zinc/14/25/02/487142502.db2.gz INJKTLLTBPLRLX-VHSXEESVSA-N 1 1 168.284 1.232 10 30 ADEEMO C=C(C)C[N@H+](CC)C[C@](C)(O)C(C)=O 685417255 487143473 /nfs/dbraw/zinc/14/34/73/487143473.db2.gz JNPJSCIEFBXDPT-NSHDSACASA-N 1 1 199.294 1.224 10 30 ADEEMO C=C(C)C[N@H+](CC)C[C@@](C)(O)C(C)=O 685417254 487143901 /nfs/dbraw/zinc/14/39/01/487143901.db2.gz JNPJSCIEFBXDPT-LLVKDONJSA-N 1 1 199.294 1.224 10 30 ADEEMO C=CCC[N@@H+]1C[C@@H](O)CC[C@@H]1C 306161246 487150268 /nfs/dbraw/zinc/15/02/68/487150268.db2.gz DSYDGANVBWIGHU-UWVGGRQHSA-N 1 1 169.268 1.408 10 30 ADEEMO CCC#C[C@@H](C)[N@H+]1CC[C@@H]1COC 306453150 487156770 /nfs/dbraw/zinc/15/67/70/487156770.db2.gz NQWWXJWTGCWCHO-GHMZBOCLSA-N 1 1 181.279 1.509 10 30 ADEEMO CCC#C[C@@H](C)[N@H+]1CC[C@H]1COC 306453151 487156974 /nfs/dbraw/zinc/15/69/74/487156974.db2.gz NQWWXJWTGCWCHO-MNOVXSKESA-N 1 1 181.279 1.509 10 30 ADEEMO CCC#C[C@H](C)[N@H+]1CC[C@@H]1COC 306453153 487157079 /nfs/dbraw/zinc/15/70/79/487157079.db2.gz NQWWXJWTGCWCHO-WDEREUQCSA-N 1 1 181.279 1.509 10 30 ADEEMO CCC#C[C@H](C)[N@H+]1CC[C@H]1COC 306453152 487157104 /nfs/dbraw/zinc/15/71/04/487157104.db2.gz NQWWXJWTGCWCHO-QWRGUYRKSA-N 1 1 181.279 1.509 10 30 ADEEMO CC#CC[N@H+]1C[C@H]2[C@@H](C1)C2(C)C 306477811 487157529 /nfs/dbraw/zinc/15/75/29/487157529.db2.gz ASPVMNCADUVWRH-AOOOYVTPSA-N 1 1 163.264 1.598 10 30 ADEEMO C=C1CC[NH+](Cc2ccno2)CC1 306479724 487158019 /nfs/dbraw/zinc/15/80/19/487158019.db2.gz BDQWPDWOFUFDDS-UHFFFAOYSA-N 1 1 178.235 1.827 10 30 ADEEMO C=CC[N@H+]1C[C@H]2C[C@@H](O)CC[C@H]2C1 306601443 487161679 /nfs/dbraw/zinc/16/16/79/487161679.db2.gz AZCJGEGCYPJQSH-AXFHLTTASA-N 1 1 181.279 1.265 10 30 ADEEMO C=CC[N@H+]1C[C@H]2C[C@H](O)CC[C@H]2C1 306601448 487162239 /nfs/dbraw/zinc/16/22/39/487162239.db2.gz AZCJGEGCYPJQSH-HBNTYKKESA-N 1 1 181.279 1.265 10 30 ADEEMO C=CC[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 306601445 487162301 /nfs/dbraw/zinc/16/23/01/487162301.db2.gz AZCJGEGCYPJQSH-DCAQKATOSA-N 1 1 181.279 1.265 10 30 ADEEMO C=CC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 306601446 487162335 /nfs/dbraw/zinc/16/23/35/487162335.db2.gz AZCJGEGCYPJQSH-GARJFASQSA-N 1 1 181.279 1.265 10 30 ADEEMO C=C(CC)C[N@H+]1C[C@H](O)CC[C@H]1C 306680784 487165131 /nfs/dbraw/zinc/16/51/31/487165131.db2.gz MCELZQMZBCWGIQ-GHMZBOCLSA-N 1 1 183.295 1.798 10 30 ADEEMO C=CCC[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 306837590 487167768 /nfs/dbraw/zinc/16/77/68/487167768.db2.gz VSLAGIQSVIXKQP-SRVKXCTJSA-N 1 1 195.306 1.655 10 30 ADEEMO C=CCC[N@H+]1C[C@H]2C[C@H](O)CC[C@H]2C1 306837588 487167786 /nfs/dbraw/zinc/16/77/86/487167786.db2.gz VSLAGIQSVIXKQP-QJPTWQEYSA-N 1 1 195.306 1.655 10 30 ADEEMO C=CCC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 306837589 487167956 /nfs/dbraw/zinc/16/79/56/487167956.db2.gz VSLAGIQSVIXKQP-SDDRHHMPSA-N 1 1 195.306 1.655 10 30 ADEEMO C=CCC[N@H+]1C[C@H]2C[C@@H](O)CC[C@H]2C1 306837591 487168068 /nfs/dbraw/zinc/16/80/68/487168068.db2.gz VSLAGIQSVIXKQP-TUAOUCFPSA-N 1 1 195.306 1.655 10 30 ADEEMO CC#CC[N@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 307256857 487177653 /nfs/dbraw/zinc/17/76/53/487177653.db2.gz JPACPQFCHBFSKG-SDDRHHMPSA-N 1 1 193.290 1.103 10 30 ADEEMO CC#CC[N@@H+]1C[C@H]2C[C@H](O)CC[C@H]2C1 307256856 487177721 /nfs/dbraw/zinc/17/77/21/487177721.db2.gz JPACPQFCHBFSKG-QJPTWQEYSA-N 1 1 193.290 1.103 10 30 ADEEMO CC#CC[N@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 307256858 487177953 /nfs/dbraw/zinc/17/79/53/487177953.db2.gz JPACPQFCHBFSKG-SRVKXCTJSA-N 1 1 193.290 1.103 10 30 ADEEMO C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 307396919 487180780 /nfs/dbraw/zinc/18/07/80/487180780.db2.gz UBFAINRYZPMGPX-SDDRHHMPSA-N 1 1 195.306 1.655 10 30 ADEEMO C=C(C)C[N@@H+]1C[C@H]2C[C@H](O)CC[C@H]2C1 307396918 487181017 /nfs/dbraw/zinc/18/10/17/487181017.db2.gz UBFAINRYZPMGPX-QJPTWQEYSA-N 1 1 195.306 1.655 10 30 ADEEMO C=C(C)C[N@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 307396920 487181299 /nfs/dbraw/zinc/18/12/99/487181299.db2.gz UBFAINRYZPMGPX-SRVKXCTJSA-N 1 1 195.306 1.655 10 30 ADEEMO C=CC[N@@H+]1CC[C@H](OC(F)F)C1 308083818 487193206 /nfs/dbraw/zinc/19/32/06/487193206.db2.gz LRFJBFFJUCVOBD-ZETCQYMHSA-N 1 1 177.194 1.486 10 30 ADEEMO C=C(C)CC[N@H+]1CC[C@@](F)(CO)C1 308249131 487197326 /nfs/dbraw/zinc/19/73/26/487197326.db2.gz DMSBRJAXCWPOMK-JTQLQIEISA-N 1 1 187.258 1.359 10 30 ADEEMO C=C(C)CC[N@H+]1CC[C@](F)(CO)C1 308249132 487197827 /nfs/dbraw/zinc/19/78/27/487197827.db2.gz DMSBRJAXCWPOMK-SNVBAGLBSA-N 1 1 187.258 1.359 10 30 ADEEMO C=C(C)C[N@H+]1CC[C@H](OC(F)F)C1 308342499 487200000 /nfs/dbraw/zinc/20/00/00/487200000.db2.gz RSULNBABIPXFHB-QMMMGPOBSA-N 1 1 191.221 1.876 10 30 ADEEMO C=CCC[N@@H+]1CC[C@H](OC(F)F)C1 308424918 487200352 /nfs/dbraw/zinc/20/03/52/487200352.db2.gz VZHWDHODGUDKJE-QMMMGPOBSA-N 1 1 191.221 1.876 10 30 ADEEMO C=C(C)C[N@@H+]1CCCN(CC)C(=O)C1 334852138 487229359 /nfs/dbraw/zinc/22/93/59/487229359.db2.gz AWPZTSJXPUDTFW-UHFFFAOYSA-N 1 1 196.294 1.117 10 30 ADEEMO C=CC[N@H+](C)[C@@H]1CCO[C@H](C)C1 335395744 487230689 /nfs/dbraw/zinc/23/06/89/487230689.db2.gz PSOWDQBIIBIMDN-NXEZZACHSA-N 1 1 169.268 1.672 10 30 ADEEMO C=CCCC[N@H+]1C[C@@H]2CC[C@H](C1)O2 379390434 487242033 /nfs/dbraw/zinc/24/20/33/487242033.db2.gz NXTVJEIQRKBUAY-PHIMTYICSA-N 1 1 181.279 1.816 10 30 ADEEMO C=CCOCC[N@@H+]1CCC[C@@H](O)[C@@H]1C 385709361 487255388 /nfs/dbraw/zinc/25/53/88/487255388.db2.gz QQLPEHBMKSCPTE-WDEREUQCSA-N 1 1 199.294 1.034 10 30 ADEEMO C=CCOCC[N@@H+]1CCC[C@H](O)[C@@H]1C 385709359 487255515 /nfs/dbraw/zinc/25/55/15/487255515.db2.gz QQLPEHBMKSCPTE-QWRGUYRKSA-N 1 1 199.294 1.034 10 30 ADEEMO C=CCOCC[N@@H+]1CCC[C@@H](O)[C@H]1C 385709357 487255778 /nfs/dbraw/zinc/25/57/78/487255778.db2.gz QQLPEHBMKSCPTE-GHMZBOCLSA-N 1 1 199.294 1.034 10 30 ADEEMO C=CCOCC[N@@H+]1CCC[C@H](O)[C@H]1C 385709358 487255863 /nfs/dbraw/zinc/25/58/63/487255863.db2.gz QQLPEHBMKSCPTE-MNOVXSKESA-N 1 1 199.294 1.034 10 30 ADEEMO C=CCCC[N@H+](C)[C@@H](CC)CO 393280364 487265060 /nfs/dbraw/zinc/26/50/60/487265060.db2.gz GBLYEMKHOPOVMA-JTQLQIEISA-N 1 1 171.284 1.655 10 30 ADEEMO C=CCCC[N@H+](C)[C@H](CC)CO 393280365 487265585 /nfs/dbraw/zinc/26/55/85/487265585.db2.gz GBLYEMKHOPOVMA-SNVBAGLBSA-N 1 1 171.284 1.655 10 30 ADEEMO C=C(C)C[N@@H+]1CCC[C@@](CO)(OC)C1 401758237 487288935 /nfs/dbraw/zinc/28/89/35/487288935.db2.gz AJZYEYGOYMFKCT-LLVKDONJSA-N 1 1 199.294 1.036 10 30 ADEEMO C=CCC[N@@H+]1CCC[C@@](CO)(OC)C1 401760848 487289586 /nfs/dbraw/zinc/28/95/86/487289586.db2.gz BWWAAIRCQOHOTR-LLVKDONJSA-N 1 1 199.294 1.036 10 30 ADEEMO C=C(C)C[N@@H+]1CCC[C@](CO)(OC)C1 401758238 487289669 /nfs/dbraw/zinc/28/96/69/487289669.db2.gz AJZYEYGOYMFKCT-NSHDSACASA-N 1 1 199.294 1.036 10 30 ADEEMO C=CCC[N@@H+]1CCC[C@](CO)(OC)C1 401760850 487289690 /nfs/dbraw/zinc/28/96/90/487289690.db2.gz BWWAAIRCQOHOTR-NSHDSACASA-N 1 1 199.294 1.036 10 30 ADEEMO Cc1ccc([NH+]=CNN)cc1[N+](=O)[O-] 584651439 487296627 /nfs/dbraw/zinc/29/66/27/487296627.db2.gz RSFZZPRTBJBDQH-UHFFFAOYSA-N 1 1 194.194 1.026 10 30 ADEEMO C=CC[N@@H+]1C[C@H](C)[C@@H](O)[C@H](C)C1 606251668 487302911 /nfs/dbraw/zinc/30/29/11/487302911.db2.gz FXLPXDOONNVTJN-MYJAWHEDSA-N 1 1 169.268 1.121 10 30 ADEEMO C=C(C)C[N@@H+]1C[C@H](C)[C@@H](O)[C@H](C)C1 606258239 487303665 /nfs/dbraw/zinc/30/36/65/487303665.db2.gz MTWHLEGQFGRAFU-URLYPYJESA-N 1 1 183.295 1.511 10 30 ADEEMO C[C@H](CO)C[N@@H+](CCC#N)CC1CC1 611235998 487306711 /nfs/dbraw/zinc/30/67/11/487306711.db2.gz SMMHZCPXMZGHJR-JTQLQIEISA-N 1 1 196.294 1.240 10 30 ADEEMO C[C@@H](CO)C[N@@H+](CCC#N)CC1CC1 611235999 487306762 /nfs/dbraw/zinc/30/67/62/487306762.db2.gz SMMHZCPXMZGHJR-SNVBAGLBSA-N 1 1 196.294 1.240 10 30 ADEEMO C=CC[N@@H+](C)Cc1cnc(CC)nc1 666356934 487328285 /nfs/dbraw/zinc/32/82/85/487328285.db2.gz HCGZKEVVEZWBCJ-UHFFFAOYSA-N 1 1 191.278 1.657 10 30 ADEEMO C=CC[N@H+](C)Cc1cnc(CC)nc1 666356934 487328286 /nfs/dbraw/zinc/32/82/86/487328286.db2.gz HCGZKEVVEZWBCJ-UHFFFAOYSA-N 1 1 191.278 1.657 10 30 ADEEMO C=CCC[C@H](C)[NH2+][C@@H](C)[C@H](C)N 666931716 487348955 /nfs/dbraw/zinc/34/89/55/487348955.db2.gz OFJKZFFCNWRUHV-GUBZILKMSA-N 1 1 170.300 1.666 10 30 ADEEMO C=CCC[C@H](C)[NH2+][C@H](C)[C@H](C)N 666931718 487349078 /nfs/dbraw/zinc/34/90/78/487349078.db2.gz OFJKZFFCNWRUHV-LPEHRKFASA-N 1 1 170.300 1.666 10 30 ADEEMO C=CCC[C@H](C)[NH2+][C@H](C)[C@@H](C)N 666931717 487349136 /nfs/dbraw/zinc/34/91/36/487349136.db2.gz OFJKZFFCNWRUHV-IVZWLZJFSA-N 1 1 170.300 1.666 10 30 ADEEMO C=CCC[C@H](C)[NH2+][C@@H](C)[C@@H](C)N 666931715 487349349 /nfs/dbraw/zinc/34/93/49/487349349.db2.gz OFJKZFFCNWRUHV-AEJSXWLSSA-N 1 1 170.300 1.666 10 30 ADEEMO C=CC[N@@H+](C)Cc1cnc2n1CCC2 668010600 487358384 /nfs/dbraw/zinc/35/83/84/487358384.db2.gz AWBHFIMWGJHNIS-UHFFFAOYSA-N 1 1 191.278 1.447 10 30 ADEEMO C=CC[N@H+](C)Cc1cnc2n1CCC2 668010600 487358386 /nfs/dbraw/zinc/35/83/86/487358386.db2.gz AWBHFIMWGJHNIS-UHFFFAOYSA-N 1 1 191.278 1.447 10 30 ADEEMO C=CC[N@H+](C)Cc1cnn2c1CCC2 668011156 487358483 /nfs/dbraw/zinc/35/84/83/487358483.db2.gz UGGOVSPQFPETAY-UHFFFAOYSA-N 1 1 191.278 1.447 10 30 ADEEMO C=C(C)CNN=C1CC[N@H+]2CCC[C@H]12 811650325 582457007 /nfs/dbraw/zinc/45/70/07/582457007.db2.gz VPPJDHSAZHYHOF-LLVKDONJSA-N 1 1 193.294 1.376 10 30 ADEEMO C=C(C)CNN=C1CC[N@H+]2CCC[C@@H]12 811650326 582457137 /nfs/dbraw/zinc/45/71/37/582457137.db2.gz VPPJDHSAZHYHOF-NSHDSACASA-N 1 1 193.294 1.376 10 30 ADEEMO C=C(C)CC[N@@H+](CC)CCO 168027143 582464079 /nfs/dbraw/zinc/46/40/79/582464079.db2.gz CCVHLJCLGJDCBY-UHFFFAOYSA-N 1 1 157.257 1.267 10 30 ADEEMO C[C@H]1C[C@@H](S)[C@H](C)C[N@H+]1C 757160206 582468124 /nfs/dbraw/zinc/46/81/24/582468124.db2.gz LXGUALOZFATNLM-GJMOJQLCSA-N 1 1 159.298 1.645 10 30 ADEEMO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1S 757160207 582468140 /nfs/dbraw/zinc/46/81/40/582468140.db2.gz LXGUALOZFATNLM-PRJMDXOYSA-N 1 1 159.298 1.645 10 30 ADEEMO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1S 757160203 582468184 /nfs/dbraw/zinc/46/81/84/582468184.db2.gz LXGUALOZFATNLM-BWZBUEFSSA-N 1 1 159.298 1.645 10 30 ADEEMO C[C@H]1C[C@H](S)[C@H](C)C[N@H+]1C 757160205 582468243 /nfs/dbraw/zinc/46/82/43/582468243.db2.gz LXGUALOZFATNLM-CSMHCCOUSA-N 1 1 159.298 1.645 10 30 ADEEMO C=CC(C)(C)NC(=O)[C@@H]1CC[N@H+](C)C1 891268543 582476036 /nfs/dbraw/zinc/47/60/36/582476036.db2.gz ZJVPFZRKDUYWQW-SECBINFHSA-N 1 1 196.294 1.019 10 30 ADEEMO C=CC(C)(C)NC(=O)[C@H]1CC[N@H+](C)C1 891268544 582476054 /nfs/dbraw/zinc/47/60/54/582476054.db2.gz ZJVPFZRKDUYWQW-VIFPVBQESA-N 1 1 196.294 1.019 10 30 ADEEMO C=CC[N@H+](CCF)C1CC1 23804169 582477189 /nfs/dbraw/zinc/47/71/89/582477189.db2.gz FXDBWNGUTYCTTM-UHFFFAOYSA-N 1 1 143.205 1.606 10 30 ADEEMO C=CCCO[NH+]=C(N)[C@H]1C[C@@H]1C 848522286 582481029 /nfs/dbraw/zinc/48/10/29/582481029.db2.gz XISDPAPQRXGGGV-YUMQZZPRSA-N 1 1 168.240 1.717 10 30 ADEEMO C=CCCO[NH+]=C(N)[C@H]1C[C@H]1C 848522284 582481103 /nfs/dbraw/zinc/48/11/03/582481103.db2.gz XISDPAPQRXGGGV-SFYZADRCSA-N 1 1 168.240 1.717 10 30 ADEEMO C#CC[N@@H+](CC)CCc1ccccn1 744199855 582484706 /nfs/dbraw/zinc/48/47/06/582484706.db2.gz AABMTEUVINSEFQ-UHFFFAOYSA-N 1 1 188.274 1.579 10 30 ADEEMO CC#CC[N@H+](C)Cc1cccnc1 306437584 582486042 /nfs/dbraw/zinc/48/60/42/582486042.db2.gz FMTWRAMNSZKMFS-UHFFFAOYSA-N 1 1 174.247 1.537 10 30 ADEEMO CC#CC[N@@H+](C)Cc1cccnc1 306437584 582486043 /nfs/dbraw/zinc/48/60/43/582486043.db2.gz FMTWRAMNSZKMFS-UHFFFAOYSA-N 1 1 174.247 1.537 10 30 ADEEMO CCC#C[C@@H](C)[N@@H+](C)CC(C)(C)O 306464582 582486666 /nfs/dbraw/zinc/48/66/66/582486666.db2.gz AQMKJGDNRILWNT-SNVBAGLBSA-N 1 1 183.295 1.491 10 30 ADEEMO CCC#C[C@H](C)[N@@H+](C)CC(C)(C)O 306464581 582487033 /nfs/dbraw/zinc/48/70/33/582487033.db2.gz AQMKJGDNRILWNT-JTQLQIEISA-N 1 1 183.295 1.491 10 30 ADEEMO CC#CCC[N@@H+](C)CC1(CO)CC1 308338140 582488690 /nfs/dbraw/zinc/48/86/90/582488690.db2.gz PEWLNXOSDXHTBE-UHFFFAOYSA-N 1 1 181.279 1.104 10 30 ADEEMO C=CCC[N@H+](C)CC1=CCCOC1 393709993 582492946 /nfs/dbraw/zinc/49/29/46/582492946.db2.gz GRVOCJMPHPSYCS-UHFFFAOYSA-N 1 1 181.279 1.841 10 30 ADEEMO CC#CCC[N@@H+](C)C[C@H]1CCCO1 393715883 582494032 /nfs/dbraw/zinc/49/40/32/582494032.db2.gz QTMFFOUPSUOORR-LLVKDONJSA-N 1 1 181.279 1.511 10 30 ADEEMO C=C(CC)C[N@H+](C)Cc1cc[nH]n1 393714393 582494435 /nfs/dbraw/zinc/49/44/35/582494435.db2.gz JIMJAAIBHREIKZ-UHFFFAOYSA-N 1 1 179.267 1.808 10 30 ADEEMO C=C(CC)C[N@@H+](C)Cc1cc[nH]n1 393714393 582494437 /nfs/dbraw/zinc/49/44/37/582494437.db2.gz JIMJAAIBHREIKZ-UHFFFAOYSA-N 1 1 179.267 1.808 10 30 ADEEMO C#CC(C)(C)[N@H+](C)Cc1conc1C 851986388 582496492 /nfs/dbraw/zinc/49/64/92/582496492.db2.gz KEAJUGXJWBWYFT-UHFFFAOYSA-N 1 1 192.262 1.827 10 30 ADEEMO C#CC(C)(C)[N@@H+](C)Cc1conc1C 851986388 582496493 /nfs/dbraw/zinc/49/64/93/582496493.db2.gz KEAJUGXJWBWYFT-UHFFFAOYSA-N 1 1 192.262 1.827 10 30 ADEEMO C#CC(C)(C)[N@@H+](C)CCOC(F)F 851986048 582496499 /nfs/dbraw/zinc/49/64/99/582496499.db2.gz AACDMYUAPSCVIX-UHFFFAOYSA-N 1 1 191.221 1.569 10 30 ADEEMO C=CC[C@H](C)[N@@H+]1CCN[C@@H](C(C)C)C1 123115667 582497047 /nfs/dbraw/zinc/49/70/47/582497047.db2.gz QMBLKWWWCNHXRZ-NWDGAFQWSA-N 1 1 196.338 1.881 10 30 ADEEMO C=CC[C@H](C)N1CC[NH2+][C@@H](C(C)C)C1 123115667 582497048 /nfs/dbraw/zinc/49/70/48/582497048.db2.gz QMBLKWWWCNHXRZ-NWDGAFQWSA-N 1 1 196.338 1.881 10 30 ADEEMO C=CC[N@H+](C)[C@@H](CO)C(=C)C 378980462 582497279 /nfs/dbraw/zinc/49/72/79/582497279.db2.gz RMZWKBKZMRXTFM-VIFPVBQESA-N 1 1 155.241 1.041 10 30 ADEEMO C#CC[N@@H+](CC)Cc1[nH]nc(C)c1C 893975675 582508643 /nfs/dbraw/zinc/50/86/43/582508643.db2.gz FPYQUDXGZBOJBQ-UHFFFAOYSA-N 1 1 191.278 1.482 10 30 ADEEMO C#CC[N@H+](CC)Cc1[nH]nc(C)c1C 893975675 582508646 /nfs/dbraw/zinc/50/86/46/582508646.db2.gz FPYQUDXGZBOJBQ-UHFFFAOYSA-N 1 1 191.278 1.482 10 30 ADEEMO C[C@@H](CC(C)(C)C#N)[NH2+]CCC#N 894082166 582509622 /nfs/dbraw/zinc/50/96/22/582509622.db2.gz AIYXFSFGPOTEPQ-VIFPVBQESA-N 1 1 179.267 1.818 10 30 ADEEMO C[C@H](CC(C)(C)C#N)[NH2+]CCC#N 894082162 582509798 /nfs/dbraw/zinc/50/97/98/582509798.db2.gz AIYXFSFGPOTEPQ-SECBINFHSA-N 1 1 179.267 1.818 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)Cc1ccc(OC)o1 894059605 582510054 /nfs/dbraw/zinc/51/00/54/582510054.db2.gz LBAVZJUJVLOMJE-VIFPVBQESA-N 1 1 193.246 1.742 10 30 ADEEMO C#C[C@H](C)[N@H+](C)Cc1ccc(OC)o1 894059605 582510055 /nfs/dbraw/zinc/51/00/55/582510055.db2.gz LBAVZJUJVLOMJE-VIFPVBQESA-N 1 1 193.246 1.742 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(OC)o1 894059604 582510006 /nfs/dbraw/zinc/51/00/06/582510006.db2.gz LBAVZJUJVLOMJE-SECBINFHSA-N 1 1 193.246 1.742 10 30 ADEEMO C#C[C@@H](C)[N@H+](C)Cc1ccc(OC)o1 894059604 582510008 /nfs/dbraw/zinc/51/00/08/582510008.db2.gz LBAVZJUJVLOMJE-SECBINFHSA-N 1 1 193.246 1.742 10 30 ADEEMO CC1C[NH+](CC#Cc2ccccc2)C1 894158319 582510614 /nfs/dbraw/zinc/51/06/14/582510614.db2.gz LVGQCBKEHYRYBI-UHFFFAOYSA-N 1 1 185.270 1.990 10 30 ADEEMO C=CC[C@H](C)[N@@H+](C)Cc1ncc[nH]1 878315364 582511461 /nfs/dbraw/zinc/51/14/61/582511461.db2.gz MSRJOPQXOVXLFG-VIFPVBQESA-N 1 1 179.267 1.806 10 30 ADEEMO C=CC[C@H](C(=O)OC)[N@H+]1CC[C@H]2C[C@H]21 878315960 582511516 /nfs/dbraw/zinc/51/15/16/582511516.db2.gz DWJRANCZUZYBEU-IVZWLZJFSA-N 1 1 195.262 1.198 10 30 ADEEMO C=CC[C@H](C)[N@H+]1C[C@H]2C[C@@]2(CO)C1 878481092 582512103 /nfs/dbraw/zinc/51/21/03/582512103.db2.gz ACKKPKXKCCMHJB-AXFHLTTASA-N 1 1 181.279 1.265 10 30 ADEEMO C=CC[C@H](C)[N@H+]1C[C@@H]2C[C@]2(CO)C1 878481103 582512119 /nfs/dbraw/zinc/51/21/19/582512119.db2.gz ACKKPKXKCCMHJB-GARJFASQSA-N 1 1 181.279 1.265 10 30 ADEEMO C#CCCC[N@@H+]1C[C@H](O)CC(C)(C)C1 879621828 582514372 /nfs/dbraw/zinc/51/43/72/582514372.db2.gz FHADGONDPFYGLV-LLVKDONJSA-N 1 1 195.306 1.493 10 30 ADEEMO C#CCCC[N@@H+]1C[C@@H](O)CC(C)(C)C1 879621829 582514414 /nfs/dbraw/zinc/51/44/14/582514414.db2.gz FHADGONDPFYGLV-NSHDSACASA-N 1 1 195.306 1.493 10 30 ADEEMO C#C[C@H](C)[NH2+]Cc1ccc(OC)o1 894384252 582514957 /nfs/dbraw/zinc/51/49/57/582514957.db2.gz QLDXMLGOAPBNKT-QMMMGPOBSA-N 1 1 179.219 1.400 10 30 ADEEMO C#CC(C)(C)[N@H+](C)CC(C)C 17707279 582514969 /nfs/dbraw/zinc/51/49/69/582514969.db2.gz BALDINGNKKYJEZ-UHFFFAOYSA-N 1 1 153.269 1.986 10 30 ADEEMO C#C[C@@H](C)[NH2+]Cc1ccc(OC)o1 894384251 582515159 /nfs/dbraw/zinc/51/51/59/582515159.db2.gz QLDXMLGOAPBNKT-MRVPVSSYSA-N 1 1 179.219 1.400 10 30 ADEEMO C#C[C@@H](C)[NH2+]Cc1ccc(OCC)o1 894384762 582515183 /nfs/dbraw/zinc/51/51/83/582515183.db2.gz VCJCQDPQQMWKBI-SECBINFHSA-N 1 1 193.246 1.790 10 30 ADEEMO C#C[C@H](C)[NH2+]Cc1ccc(OCC)o1 894384763 582515336 /nfs/dbraw/zinc/51/53/36/582515336.db2.gz VCJCQDPQQMWKBI-VIFPVBQESA-N 1 1 193.246 1.790 10 30 ADEEMO C=CC[N@H+](C)Cc1c(C)ccnc1N 894494852 582515827 /nfs/dbraw/zinc/51/58/27/582515827.db2.gz KOAIYYWWHPPNHY-UHFFFAOYSA-N 1 1 191.278 1.590 10 30 ADEEMO C=CC[N@@H+](C)Cc1[nH]nc(C)c1C 894495678 582515975 /nfs/dbraw/zinc/51/59/75/582515975.db2.gz PVIORVGDPYKSFP-UHFFFAOYSA-N 1 1 179.267 1.644 10 30 ADEEMO C=CC[N@H+](C)Cc1[nH]nc(C)c1C 894495678 582515977 /nfs/dbraw/zinc/51/59/77/582515977.db2.gz PVIORVGDPYKSFP-UHFFFAOYSA-N 1 1 179.267 1.644 10 30 ADEEMO C=CC[N@@H+](C)Cc1ocnc1C 894493869 582516227 /nfs/dbraw/zinc/51/62/27/582516227.db2.gz GCQVNZFXUGYZPL-UHFFFAOYSA-N 1 1 166.224 1.601 10 30 ADEEMO C=CC[N@H+](C)Cc1ocnc1C 894493869 582516229 /nfs/dbraw/zinc/51/62/29/582516229.db2.gz GCQVNZFXUGYZPL-UHFFFAOYSA-N 1 1 166.224 1.601 10 30 ADEEMO C#C[C@H](C)[N@H+](C)Cc1ocnc1C 894573821 582516765 /nfs/dbraw/zinc/51/67/65/582516765.db2.gz ICNUWETYNCYZOF-QMMMGPOBSA-N 1 1 178.235 1.437 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)Cc1ocnc1C 894573821 582516767 /nfs/dbraw/zinc/51/67/67/582516767.db2.gz ICNUWETYNCYZOF-QMMMGPOBSA-N 1 1 178.235 1.437 10 30 ADEEMO C#C[C@H](C)[N@H+](C)Cc1[nH]nc(C)c1C 894574377 582517091 /nfs/dbraw/zinc/51/70/91/582517091.db2.gz SLPCVQQBHGLJQV-QMMMGPOBSA-N 1 1 191.278 1.480 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)Cc1[nH]nc(C)c1C 894574377 582517092 /nfs/dbraw/zinc/51/70/92/582517092.db2.gz SLPCVQQBHGLJQV-QMMMGPOBSA-N 1 1 191.278 1.480 10 30 ADEEMO C#C[C@@H](C)[N@H+](C)Cc1[nH]nc(C)c1C 894574375 582517134 /nfs/dbraw/zinc/51/71/34/582517134.db2.gz SLPCVQQBHGLJQV-MRVPVSSYSA-N 1 1 191.278 1.480 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)Cc1[nH]nc(C)c1C 894574375 582517136 /nfs/dbraw/zinc/51/71/36/582517136.db2.gz SLPCVQQBHGLJQV-MRVPVSSYSA-N 1 1 191.278 1.480 10 30 ADEEMO C#C[C@@H](C)[N@H+](C)Cc1ocnc1C 894573819 582517169 /nfs/dbraw/zinc/51/71/69/582517169.db2.gz ICNUWETYNCYZOF-MRVPVSSYSA-N 1 1 178.235 1.437 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)Cc1ocnc1C 894573819 582517172 /nfs/dbraw/zinc/51/71/72/582517172.db2.gz ICNUWETYNCYZOF-MRVPVSSYSA-N 1 1 178.235 1.437 10 30 ADEEMO C#C[C@H](C)[NH2+]Cc1nc(C(C)C)c[nH]1 894738113 582517509 /nfs/dbraw/zinc/51/75/09/582517509.db2.gz MWUISDVALFPTIL-VIFPVBQESA-N 1 1 191.278 1.644 10 30 ADEEMO C#C[C@@H](C)[NH2+]Cc1nc(C(C)C)c[nH]1 894738112 582517608 /nfs/dbraw/zinc/51/76/08/582517608.db2.gz MWUISDVALFPTIL-SECBINFHSA-N 1 1 191.278 1.644 10 30 ADEEMO C[N@H+]1CCN(CCCC#N)C(C)(C)C1 334427463 582521345 /nfs/dbraw/zinc/52/13/45/582521345.db2.gz HHDZMZROUDDGRC-UHFFFAOYSA-N 1 1 195.310 1.316 10 30 ADEEMO CN1CC[N@H+](CCCC#N)C(C)(C)C1 334427463 582521347 /nfs/dbraw/zinc/52/13/47/582521347.db2.gz HHDZMZROUDDGRC-UHFFFAOYSA-N 1 1 195.310 1.316 10 30 ADEEMO CN1CC[N@@H+](CCCC#N)C(C)(C)C1 334427463 582521349 /nfs/dbraw/zinc/52/13/49/582521349.db2.gz HHDZMZROUDDGRC-UHFFFAOYSA-N 1 1 195.310 1.316 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CCCNCC1 123094054 582522348 /nfs/dbraw/zinc/52/23/48/582522348.db2.gz FVSDOBIWUXDIIY-SNVBAGLBSA-N 1 1 168.284 1.246 10 30 ADEEMO C=CC[C@@H](C)N1CCC[NH2+]CC1 123094054 582522349 /nfs/dbraw/zinc/52/23/49/582522349.db2.gz FVSDOBIWUXDIIY-SNVBAGLBSA-N 1 1 168.284 1.246 10 30 ADEEMO C#CCC[N@@H+]1CC[C@@H](C(C)C)C1 133737018 582523070 /nfs/dbraw/zinc/52/30/70/582523070.db2.gz RIDPZBNVYVEEBI-LLVKDONJSA-N 1 1 165.280 1.988 10 30 ADEEMO C#CC(C)(C)[N@H+](C)CCC(=O)OCC 794574153 582525131 /nfs/dbraw/zinc/52/51/31/582525131.db2.gz ACRRPRLPJCZHKY-UHFFFAOYSA-N 1 1 197.278 1.283 10 30 ADEEMO C#CC(C)(C)[N@@H+](C)Cc1cncn1C 794578572 582525189 /nfs/dbraw/zinc/52/51/89/582525189.db2.gz AAPZVEBKHXPZLR-UHFFFAOYSA-N 1 1 191.278 1.264 10 30 ADEEMO C#CC(C)(C)[N@H+](C)Cc1cncn1C 794578572 582525190 /nfs/dbraw/zinc/52/51/90/582525190.db2.gz AAPZVEBKHXPZLR-UHFFFAOYSA-N 1 1 191.278 1.264 10 30 ADEEMO CC#CCC[N@H+]1CCCOCC1 335493986 582526120 /nfs/dbraw/zinc/52/61/20/582526120.db2.gz CSUHPCFHDHZPAL-UHFFFAOYSA-N 1 1 167.252 1.122 10 30 ADEEMO C=CCCC(=O)N1CC[N@@H+](C)C[C@H]1C 335890890 582527143 /nfs/dbraw/zinc/52/71/43/582527143.db2.gz AJOKWZKLXSIPJA-SNVBAGLBSA-N 1 1 196.294 1.115 10 30 ADEEMO C=CCCC(=O)N1CC[N@H+](C)C[C@H]1C 335890890 582527144 /nfs/dbraw/zinc/52/71/44/582527144.db2.gz AJOKWZKLXSIPJA-SNVBAGLBSA-N 1 1 196.294 1.115 10 30 ADEEMO C=CCCC(=O)N1CC[N@@H+](C)C[C@@H]1C 335890889 582527416 /nfs/dbraw/zinc/52/74/16/582527416.db2.gz AJOKWZKLXSIPJA-JTQLQIEISA-N 1 1 196.294 1.115 10 30 ADEEMO C=CCCC(=O)N1CC[N@H+](C)C[C@@H]1C 335890889 582527418 /nfs/dbraw/zinc/52/74/18/582527418.db2.gz AJOKWZKLXSIPJA-JTQLQIEISA-N 1 1 196.294 1.115 10 30 ADEEMO C=C(C)C[C@@H]([NH2+]C(C)C)C(=O)OCC 895597035 582529314 /nfs/dbraw/zinc/52/93/14/582529314.db2.gz CMUSBDBVUKUGHB-SNVBAGLBSA-N 1 1 199.294 1.882 10 30 ADEEMO C=C(C)C[C@H]([NH2+]C(C)C)C(=O)OCC 895597034 582529383 /nfs/dbraw/zinc/52/93/83/582529383.db2.gz CMUSBDBVUKUGHB-JTQLQIEISA-N 1 1 199.294 1.882 10 30 ADEEMO C=C(C)C[C@@H](CO)[NH2+]Cc1ccon1 895712645 582530105 /nfs/dbraw/zinc/53/01/05/582530105.db2.gz BZEGNOZPYSGGFP-JTQLQIEISA-N 1 1 196.250 1.091 10 30 ADEEMO C=C(C)C[C@H](CO)[NH2+]Cc1ccon1 895712646 582530114 /nfs/dbraw/zinc/53/01/14/582530114.db2.gz BZEGNOZPYSGGFP-SNVBAGLBSA-N 1 1 196.250 1.091 10 30 ADEEMO COC[C@@H](C)C[N@H+]1CCC[C@H](C#N)C1 896506904 582533071 /nfs/dbraw/zinc/53/30/71/582533071.db2.gz WADGAKISOQMMCA-WDEREUQCSA-N 1 1 196.294 1.504 10 30 ADEEMO COC[C@@H](C)C[N@H+]1CCC[C@@H](C#N)C1 896506902 582533365 /nfs/dbraw/zinc/53/33/65/582533365.db2.gz WADGAKISOQMMCA-QWRGUYRKSA-N 1 1 196.294 1.504 10 30 ADEEMO COC[C@H](C)C[N@H+]1CCC[C@@H](C#N)C1 896506900 582533526 /nfs/dbraw/zinc/53/35/26/582533526.db2.gz WADGAKISOQMMCA-MNOVXSKESA-N 1 1 196.294 1.504 10 30 ADEEMO COC[C@H](C)C[N@H+]1CCC[C@H](C#N)C1 896506899 582533564 /nfs/dbraw/zinc/53/35/64/582533564.db2.gz WADGAKISOQMMCA-GHMZBOCLSA-N 1 1 196.294 1.504 10 30 ADEEMO CC#CC[N@@H+](C)C[C@@H]1CCSC1 897166999 582538696 /nfs/dbraw/zinc/53/86/96/582538696.db2.gz GWMPRXSYYWOKTD-JTQLQIEISA-N 1 1 183.320 1.695 10 30 ADEEMO CC#CC[N@H+](C)CC1(SC)CC1 897166670 582538713 /nfs/dbraw/zinc/53/87/13/582538713.db2.gz BPCYXZNVHDSOMX-UHFFFAOYSA-N 1 1 183.320 1.837 10 30 ADEEMO CC#CC[N@@H+](C)C[C@H]1CCSC1 897167000 582538768 /nfs/dbraw/zinc/53/87/68/582538768.db2.gz GWMPRXSYYWOKTD-SNVBAGLBSA-N 1 1 183.320 1.695 10 30 ADEEMO C=Cn1cc(C[N@@H+](C)CC#CC)cn1 897166971 582538771 /nfs/dbraw/zinc/53/87/71/582538771.db2.gz FVGUNGHQPIZRKJ-UHFFFAOYSA-N 1 1 189.262 1.439 10 30 ADEEMO C=Cn1cc(C[N@H+](C)CC#CC)cn1 897166971 582538772 /nfs/dbraw/zinc/53/87/72/582538772.db2.gz FVGUNGHQPIZRKJ-UHFFFAOYSA-N 1 1 189.262 1.439 10 30 ADEEMO CC#CC[N@@H+](C)Cc1ccn(C)c1 897166606 582538775 /nfs/dbraw/zinc/53/87/75/582538775.db2.gz AAUSAGAVJZJNNJ-UHFFFAOYSA-N 1 1 176.263 1.480 10 30 ADEEMO CC#CC[N@H+](C)CC1(F)CC1 897167284 582538778 /nfs/dbraw/zinc/53/87/78/582538778.db2.gz JGAZFPSVVUSCMA-UHFFFAOYSA-N 1 1 155.216 1.444 10 30 ADEEMO CC#CC[N@@H+](C)CC1(F)CC1 897167284 582538779 /nfs/dbraw/zinc/53/87/79/582538779.db2.gz JGAZFPSVVUSCMA-UHFFFAOYSA-N 1 1 155.216 1.444 10 30 ADEEMO C#CCC[N@@H+](CC(=O)OC)[C@H](C)CC 799169323 582544891 /nfs/dbraw/zinc/54/48/91/582544891.db2.gz GBXUHBZEKSLMOW-SNVBAGLBSA-N 1 1 197.278 1.283 10 30 ADEEMO C#CCC[N@@H+](CC(=O)OC)[C@@H](C)CC 799169322 582544899 /nfs/dbraw/zinc/54/48/99/582544899.db2.gz GBXUHBZEKSLMOW-JTQLQIEISA-N 1 1 197.278 1.283 10 30 ADEEMO C=C(C)C[N@@H+](CC)[C@@H](CC)C(=O)OC 611203664 582547530 /nfs/dbraw/zinc/54/75/30/582547530.db2.gz IDHJIUWPTIKHDU-JTQLQIEISA-N 1 1 199.294 1.836 10 30 ADEEMO C=C(C)C[N@H+](CC)[C@@H](CC)C(=O)OC 611203664 582547533 /nfs/dbraw/zinc/54/75/33/582547533.db2.gz IDHJIUWPTIKHDU-JTQLQIEISA-N 1 1 199.294 1.836 10 30 ADEEMO C[C@H](CCC#N)C[N@@H+]1C[C@@H](O)[C@H](C)C1 897679557 582548478 /nfs/dbraw/zinc/54/84/78/582548478.db2.gz AQQQFNAGZMTUJY-GMTAPVOTSA-N 1 1 196.294 1.239 10 30 ADEEMO C[C@H](CCC#N)C[N@H+]1C[C@@H](C)[C@@H](O)C1 897679558 582548702 /nfs/dbraw/zinc/54/87/02/582548702.db2.gz AQQQFNAGZMTUJY-MXWKQRLJSA-N 1 1 196.294 1.239 10 30 ADEEMO C[C@H]1C[N@H+](C[C@H](C)CCC#N)C[C@@H]1O 897679560 582548869 /nfs/dbraw/zinc/54/88/69/582548869.db2.gz AQQQFNAGZMTUJY-VWYCJHECSA-N 1 1 196.294 1.239 10 30 ADEEMO C[C@H]1C[N@H+](C[C@H](C)CCC#N)C[C@H]1O 897679559 582549037 /nfs/dbraw/zinc/54/90/37/582549037.db2.gz AQQQFNAGZMTUJY-OUAUKWLOSA-N 1 1 196.294 1.239 10 30 ADEEMO C=CC(C)(C)[NH2+]Cc1c[nH]cn1 898460184 582554752 /nfs/dbraw/zinc/55/47/52/582554752.db2.gz GIQOUKQJYOWOPH-UHFFFAOYSA-N 1 1 165.240 1.464 10 30 ADEEMO C=CC(C)(C)[NH2+]Cc1cnn(CC)n1 898460529 582554842 /nfs/dbraw/zinc/55/48/42/582554842.db2.gz NGWGKAXAGXIKDW-UHFFFAOYSA-N 1 1 194.282 1.352 10 30 ADEEMO C=CC(C)(C)[NH2+]Cc1ncnn1CC 898460225 582555060 /nfs/dbraw/zinc/55/50/60/582555060.db2.gz HTEKVLCFAAYRAZ-UHFFFAOYSA-N 1 1 194.282 1.352 10 30 ADEEMO C=CC(C)(C)[NH2+]Cc1ccon1 898460279 582555103 /nfs/dbraw/zinc/55/51/03/582555103.db2.gz JOCBQZQUCDBBQT-UHFFFAOYSA-N 1 1 166.224 1.729 10 30 ADEEMO C=CC(C)(C)[NH2+]Cc1nnc(C)s1 898460865 582555430 /nfs/dbraw/zinc/55/54/30/582555430.db2.gz VSKPAVVEQBJIAP-UHFFFAOYSA-N 1 1 197.307 1.901 10 30 ADEEMO C=CC(C)(C)[NH2+]Cc1cn(CC)nn1 898462582 582555466 /nfs/dbraw/zinc/55/54/66/582555466.db2.gz PZGUIGNSQVHOHZ-UHFFFAOYSA-N 1 1 194.282 1.352 10 30 ADEEMO C=CC(C)(C)[NH2+]Cc1cocn1 898460936 582555572 /nfs/dbraw/zinc/55/55/72/582555572.db2.gz WQKPXYQNJHDZNJ-UHFFFAOYSA-N 1 1 166.224 1.729 10 30 ADEEMO C=CC(C)(C)[NH2+]Cc1n[nH]cc1C 898460861 582555816 /nfs/dbraw/zinc/55/58/16/582555816.db2.gz VOPJHAQNGAVREP-UHFFFAOYSA-N 1 1 179.267 1.772 10 30 ADEEMO C=C1C[NH+](C[C@@H](O)CC2CCCC2)C1 899900877 582565409 /nfs/dbraw/zinc/56/54/09/582565409.db2.gz XIDMUKBTIIAROW-LBPRGKRZSA-N 1 1 195.306 1.799 10 30 ADEEMO C=C1C[NH+](C[C@H](O)CC2CCCC2)C1 899900876 582565945 /nfs/dbraw/zinc/56/59/45/582565945.db2.gz XIDMUKBTIIAROW-GFCCVEGCSA-N 1 1 195.306 1.799 10 30 ADEEMO C=CC[N@H+](CN1CCOC1=O)C(C)C 902064015 582593226 /nfs/dbraw/zinc/59/32/26/582593226.db2.gz BEIOPQUAQIFDDY-UHFFFAOYSA-N 1 1 198.266 1.293 10 30 ADEEMO C=CC[N@@H+](CN1CCOC1=O)C(C)C 902064015 582593229 /nfs/dbraw/zinc/59/32/29/582593229.db2.gz BEIOPQUAQIFDDY-UHFFFAOYSA-N 1 1 198.266 1.293 10 30 ADEEMO C=CCC[C@H](C)N[C@H]1C[NH2+]CC1(C)C 902447250 582606694 /nfs/dbraw/zinc/60/66/94/582606694.db2.gz XOHLUIOSPDKWMD-QWRGUYRKSA-N 1 1 196.338 1.929 10 30 ADEEMO C=CCC[C@@H](C)N[C@@H]1C[NH2+]CC1(C)C 902447248 582606283 /nfs/dbraw/zinc/60/62/83/582606283.db2.gz XOHLUIOSPDKWMD-GHMZBOCLSA-N 1 1 196.338 1.929 10 30 ADEEMO C=CCC[C@@H](C)N[C@H]1C[NH2+]CC1(C)C 902447249 582606453 /nfs/dbraw/zinc/60/64/53/582606453.db2.gz XOHLUIOSPDKWMD-MNOVXSKESA-N 1 1 196.338 1.929 10 30 ADEEMO C=CCC[C@H](C)N[C@@H]1C[NH2+]CC1(C)C 902447251 582606553 /nfs/dbraw/zinc/60/65/53/582606553.db2.gz XOHLUIOSPDKWMD-WDEREUQCSA-N 1 1 196.338 1.929 10 30 ADEEMO C=CCC[C@H](C)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 902467788 582607186 /nfs/dbraw/zinc/60/71/86/582607186.db2.gz LBRWYFZTXWWOBU-NNYUYHANSA-N 1 1 194.322 1.824 10 30 ADEEMO C=CCC[C@H](C)[NH2+][C@@H]1C[C@@H]2CC[C@H]1N2 902467788 582607189 /nfs/dbraw/zinc/60/71/89/582607189.db2.gz LBRWYFZTXWWOBU-NNYUYHANSA-N 1 1 194.322 1.824 10 30 ADEEMO C=CCC[C@H](C)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 902466248 582607450 /nfs/dbraw/zinc/60/74/50/582607450.db2.gz LBRWYFZTXWWOBU-WHOHXGKFSA-N 1 1 194.322 1.824 10 30 ADEEMO C=CCC[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2 902466248 582607452 /nfs/dbraw/zinc/60/74/52/582607452.db2.gz LBRWYFZTXWWOBU-WHOHXGKFSA-N 1 1 194.322 1.824 10 30 ADEEMO C=CCC[C@@H](C)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 902467790 582607513 /nfs/dbraw/zinc/60/75/13/582607513.db2.gz LBRWYFZTXWWOBU-WRWGMCAJSA-N 1 1 194.322 1.824 10 30 ADEEMO C=CCC[C@@H](C)[NH2+][C@@H]1C[C@@H]2CC[C@H]1N2 902467790 582607515 /nfs/dbraw/zinc/60/75/15/582607515.db2.gz LBRWYFZTXWWOBU-WRWGMCAJSA-N 1 1 194.322 1.824 10 30 ADEEMO C=CCC[C@@H](C)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 902466249 582607574 /nfs/dbraw/zinc/60/75/74/582607574.db2.gz LBRWYFZTXWWOBU-WISYIIOYSA-N 1 1 194.322 1.824 10 30 ADEEMO C=CCC[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2 902466249 582607576 /nfs/dbraw/zinc/60/75/76/582607576.db2.gz LBRWYFZTXWWOBU-WISYIIOYSA-N 1 1 194.322 1.824 10 30 ADEEMO C=CCCC[N@H+](CC)Cn1cnnc1 902669653 582611434 /nfs/dbraw/zinc/61/14/34/582611434.db2.gz OZPBJVHUDSDAJS-UHFFFAOYSA-N 1 1 194.282 1.524 10 30 ADEEMO C=CCCC[N@H+](CC)CN1CCC1=O 902668978 582611866 /nfs/dbraw/zinc/61/18/66/582611866.db2.gz GMEGXPDTLTUBJG-UHFFFAOYSA-N 1 1 196.294 1.464 10 30 ADEEMO C=CCO[NH+]=C(N)CC1(CC)COC1 902873742 582615596 /nfs/dbraw/zinc/61/55/96/582615596.db2.gz PSEIMRSGQQHRLL-UHFFFAOYSA-N 1 1 198.266 1.488 10 30 ADEEMO C=C(C)[C@H](CO)[N@H+]1CCC[C@@H](F)C1 902995138 582619411 /nfs/dbraw/zinc/61/94/11/582619411.db2.gz LZEFEJNCVSYVLA-ZJUUUORDSA-N 1 1 187.258 1.357 10 30 ADEEMO C=C(C)[C@@H](CO)[N@H+]1CCC[C@H](F)C1 902995137 582619425 /nfs/dbraw/zinc/61/94/25/582619425.db2.gz LZEFEJNCVSYVLA-VHSXEESVSA-N 1 1 187.258 1.357 10 30 ADEEMO C=C(C)[C@@H](CO)[N@H+]1CCC[C@@H](F)C1 902995135 582619430 /nfs/dbraw/zinc/61/94/30/582619430.db2.gz LZEFEJNCVSYVLA-NXEZZACHSA-N 1 1 187.258 1.357 10 30 ADEEMO C=C(C)[C@H](CO)[N@H+]1CCC[C@H](F)C1 902995136 582619564 /nfs/dbraw/zinc/61/95/64/582619564.db2.gz LZEFEJNCVSYVLA-UWVGGRQHSA-N 1 1 187.258 1.357 10 30 ADEEMO C[C@@H]([NH2+]CCF)c1cc(C#N)ccn1 902979134 582619480 /nfs/dbraw/zinc/61/94/80/582619480.db2.gz OSGSRTSFOYJPFL-MRVPVSSYSA-N 1 1 193.225 1.573 10 30 ADEEMO C[C@H]([NH2+]CCF)c1cc(C#N)ccn1 902979136 582619529 /nfs/dbraw/zinc/61/95/29/582619529.db2.gz OSGSRTSFOYJPFL-QMMMGPOBSA-N 1 1 193.225 1.573 10 30 ADEEMO C=CCOCC[N@@H+]1CCC[C@@H](F)C1 902991871 582619712 /nfs/dbraw/zinc/61/97/12/582619712.db2.gz DBZXSFJGMFVWJE-SNVBAGLBSA-N 1 1 187.258 1.623 10 30 ADEEMO CC#CC[N@@H+]1CCC[C@@H](F)C1 902994329 582620486 /nfs/dbraw/zinc/62/04/86/582620486.db2.gz CENAQQLSJPUPGN-SECBINFHSA-N 1 1 155.216 1.444 10 30 ADEEMO CC#CC[N@H+]1CCC[C@@H](F)C1 902994329 582620488 /nfs/dbraw/zinc/62/04/88/582620488.db2.gz CENAQQLSJPUPGN-SECBINFHSA-N 1 1 155.216 1.444 10 30 ADEEMO CC#CC[N@@H+]1CCC[C@H](F)C1 902994330 582620718 /nfs/dbraw/zinc/62/07/18/582620718.db2.gz CENAQQLSJPUPGN-VIFPVBQESA-N 1 1 155.216 1.444 10 30 ADEEMO CC#CC[N@H+]1CCC[C@H](F)C1 902994330 582620721 /nfs/dbraw/zinc/62/07/21/582620721.db2.gz CENAQQLSJPUPGN-VIFPVBQESA-N 1 1 155.216 1.444 10 30 ADEEMO C=CCOCC[N@@H+]1CCC[C@H](F)C1 902991870 582620765 /nfs/dbraw/zinc/62/07/65/582620765.db2.gz DBZXSFJGMFVWJE-JTQLQIEISA-N 1 1 187.258 1.623 10 30 ADEEMO C[N@@H+](CCN)CC1CCC(C#N)CC1 903458575 582624973 /nfs/dbraw/zinc/62/49/73/582624973.db2.gz DPRRAEJPVKWDLR-UHFFFAOYSA-N 1 1 195.310 1.207 10 30 ADEEMO CN(CC[NH3+])CC1CCC(C#N)CC1 903458575 582624976 /nfs/dbraw/zinc/62/49/76/582624976.db2.gz DPRRAEJPVKWDLR-UHFFFAOYSA-N 1 1 195.310 1.207 10 30 ADEEMO C=CC[C@@H](C)N[C@@H]1CC[NH2+]C12CCC2 903472322 582625232 /nfs/dbraw/zinc/62/52/32/582625232.db2.gz RWEWNLDMNPDBSP-GHMZBOCLSA-N 1 1 194.322 1.825 10 30 ADEEMO C=CCC[N@@H+]1CC[C@H]2CC[C@@]21CN 903854066 582628992 /nfs/dbraw/zinc/62/89/92/582628992.db2.gz IRWAAQUEARWMHP-GHMZBOCLSA-N 1 1 180.295 1.376 10 30 ADEEMO C=CCCN[C@@H]1CC[NH2+]C12CCCC2 903486057 582625483 /nfs/dbraw/zinc/62/54/83/582625483.db2.gz RWHBYIAFRBGJRL-LLVKDONJSA-N 1 1 194.322 1.827 10 30 ADEEMO C=CC[C@H](C)N[C@@H]1CC[NH2+]C12CCC2 903472325 582625579 /nfs/dbraw/zinc/62/55/79/582625579.db2.gz RWEWNLDMNPDBSP-WDEREUQCSA-N 1 1 194.322 1.825 10 30 ADEEMO C=CCCN[C@H]1CC[NH2+]C12CCCC2 903486058 582625725 /nfs/dbraw/zinc/62/57/25/582625725.db2.gz RWHBYIAFRBGJRL-NSHDSACASA-N 1 1 194.322 1.827 10 30 ADEEMO C=CC[C@@H](C)N[C@H]1CC[NH2+]C12CCC2 903472323 582625736 /nfs/dbraw/zinc/62/57/36/582625736.db2.gz RWEWNLDMNPDBSP-MNOVXSKESA-N 1 1 194.322 1.825 10 30 ADEEMO C=CC[C@H](C)N[C@H]1CC[NH2+]C12CCC2 903472324 582625752 /nfs/dbraw/zinc/62/57/52/582625752.db2.gz RWEWNLDMNPDBSP-QWRGUYRKSA-N 1 1 194.322 1.825 10 30 ADEEMO C=CCCN[C@H]1CC[NH2+]C12CCC2 903468474 582625763 /nfs/dbraw/zinc/62/57/63/582625763.db2.gz LPCGZCJVGCAAKH-JTQLQIEISA-N 1 1 180.295 1.437 10 30 ADEEMO C=CCCN[C@@H]1CC[NH2+]C12CCC2 903468475 582625820 /nfs/dbraw/zinc/62/58/20/582625820.db2.gz LPCGZCJVGCAAKH-SNVBAGLBSA-N 1 1 180.295 1.437 10 30 ADEEMO C=CCN(C)C[C@H]1CCCC[NH2+]C1 903746082 582627719 /nfs/dbraw/zinc/62/77/19/582627719.db2.gz DPZAOFKDUMTCRC-NSHDSACASA-N 1 1 182.311 1.494 10 30 ADEEMO C=CCN(C)C[C@@H]1CCCC[NH2+]C1 903746081 582627814 /nfs/dbraw/zinc/62/78/14/582627814.db2.gz DPZAOFKDUMTCRC-LLVKDONJSA-N 1 1 182.311 1.494 10 30 ADEEMO C=CCC[N@@H+]1CC[C@@H]2CC[C@@]21CN 903854069 582628489 /nfs/dbraw/zinc/62/84/89/582628489.db2.gz IRWAAQUEARWMHP-WDEREUQCSA-N 1 1 180.295 1.376 10 30 ADEEMO C=CCCCN1CCC[C@]12CC[NH2+]C2 903865444 582628520 /nfs/dbraw/zinc/62/85/20/582628520.db2.gz QKTNHYBKPJESKX-GFCCVEGCSA-N 1 1 194.322 1.781 10 30 ADEEMO C=CCCCN1CCC[C@@]12CC[NH2+]C2 903865452 582628660 /nfs/dbraw/zinc/62/86/60/582628660.db2.gz QKTNHYBKPJESKX-LBPRGKRZSA-N 1 1 194.322 1.781 10 30 ADEEMO C=CCC[N@@H+]1CC[C@@H]2CC[C@]21CN 903854068 582629015 /nfs/dbraw/zinc/62/90/15/582629015.db2.gz IRWAAQUEARWMHP-QWRGUYRKSA-N 1 1 180.295 1.376 10 30 ADEEMO C=CCC[N@@H+]1CC[C@H]2CC[C@]21CN 903854067 582629058 /nfs/dbraw/zinc/62/90/58/582629058.db2.gz IRWAAQUEARWMHP-MNOVXSKESA-N 1 1 180.295 1.376 10 30 ADEEMO C=CCC[C@H](C)N[C@@H]1C[NH2+]C[C@H]1C 903963694 582630758 /nfs/dbraw/zinc/63/07/58/582630758.db2.gz FYKNFDMSNQBRHW-OUAUKWLOSA-N 1 1 182.311 1.539 10 30 ADEEMO C=CCC[C@@H](C)N[C@@H]1C[NH2+]C[C@H]1C 903963693 582631039 /nfs/dbraw/zinc/63/10/39/582631039.db2.gz FYKNFDMSNQBRHW-GMTAPVOTSA-N 1 1 182.311 1.539 10 30 ADEEMO C=CCn1cc(C[N@H+](C)C(C)C)nn1 905057282 582641983 /nfs/dbraw/zinc/64/19/83/582641983.db2.gz RHBBKSBUNXTIOP-UHFFFAOYSA-N 1 1 194.282 1.304 10 30 ADEEMO C=C(C)CCON=C(N)C[NH+](C)C 904437920 582637917 /nfs/dbraw/zinc/63/79/17/582637917.db2.gz PXJWYTWZPDPVFY-UHFFFAOYSA-N 1 1 185.271 1.013 10 30 ADEEMO C=CC(C)(C)[NH2+]C[C@@H](N)CC(C)C 904475462 582639035 /nfs/dbraw/zinc/63/90/35/582639035.db2.gz JWBQBZQITBIDQD-JTQLQIEISA-N 1 1 184.327 1.914 10 30 ADEEMO C=CC(C)(C)NC[C@@H]([NH3+])CC(C)C 904475462 582639037 /nfs/dbraw/zinc/63/90/37/582639037.db2.gz JWBQBZQITBIDQD-JTQLQIEISA-N 1 1 184.327 1.914 10 30 ADEEMO C=CC(C)(C)[NH2+]C[C@@H](N)CC(F)F 904473544 582639478 /nfs/dbraw/zinc/63/94/78/582639478.db2.gz TTWPICGSHBCYCL-ZETCQYMHSA-N 1 1 192.253 1.523 10 30 ADEEMO C=CC(C)(C)[NH2+]C[C@H](N)CC(C)C 904475463 582639540 /nfs/dbraw/zinc/63/95/40/582639540.db2.gz JWBQBZQITBIDQD-SNVBAGLBSA-N 1 1 184.327 1.914 10 30 ADEEMO C=CC(C)(C)NC[C@H]([NH3+])CC(C)C 904475463 582639542 /nfs/dbraw/zinc/63/95/42/582639542.db2.gz JWBQBZQITBIDQD-SNVBAGLBSA-N 1 1 184.327 1.914 10 30 ADEEMO C=CC(C)(C)[NH2+]C[C@H](N)CC(F)F 904473543 582639582 /nfs/dbraw/zinc/63/95/82/582639582.db2.gz TTWPICGSHBCYCL-SSDOTTSWSA-N 1 1 192.253 1.523 10 30 ADEEMO C=CCn1cc(C[N@@H+](C)C(C)C)nn1 905057282 582641981 /nfs/dbraw/zinc/64/19/81/582641981.db2.gz RHBBKSBUNXTIOP-UHFFFAOYSA-N 1 1 194.282 1.304 10 30 ADEEMO C=CC(C)(C)c1nc(C2([NH3+])CC2)no1 905323766 582647288 /nfs/dbraw/zinc/64/72/88/582647288.db2.gz AKHPRXRMMZXSFT-UHFFFAOYSA-N 1 1 193.250 1.481 10 30 ADEEMO C=CCCCc1nc(C2([NH3+])CC2)no1 905319718 582646522 /nfs/dbraw/zinc/64/65/22/582646522.db2.gz XHYDCYXYEKYSGV-UHFFFAOYSA-N 1 1 193.250 1.526 10 30 ADEEMO C=CCCc1nc(C2([NH3+])CC2)no1 905323290 582647055 /nfs/dbraw/zinc/64/70/55/582647055.db2.gz BIEDLPTZSGAOIU-UHFFFAOYSA-N 1 1 179.223 1.136 10 30 ADEEMO C=CC[C@H]([NH2+]CCCCC)C(=O)OC 905744155 582651878 /nfs/dbraw/zinc/65/18/78/582651878.db2.gz AQINMEWZXYNXHW-JTQLQIEISA-N 1 1 199.294 1.884 10 30 ADEEMO C=CC[C@@H]([NH2+]CCC(C)C)C(=O)OC 905748678 582651905 /nfs/dbraw/zinc/65/19/05/582651905.db2.gz XRYUJEAHIZCFJS-SNVBAGLBSA-N 1 1 199.294 1.740 10 30 ADEEMO C=CC[C@@H]([NH2+]CCCC)C(=O)OC 905747125 582651993 /nfs/dbraw/zinc/65/19/93/582651993.db2.gz JRRULFZTWWQLLZ-SECBINFHSA-N 1 1 185.267 1.494 10 30 ADEEMO C=CCCC[NH2+][C@H](CC=C)C(=O)OC 905763233 582652006 /nfs/dbraw/zinc/65/20/06/582652006.db2.gz LYBNBEZRHYOAED-SNVBAGLBSA-N 1 1 197.278 1.660 10 30 ADEEMO C=CC[C@H](C)[NH2+][C@@H](CC=C)C(=O)OC 905761332 582652013 /nfs/dbraw/zinc/65/20/13/582652013.db2.gz XCFBIKGDQXNHAD-UWVGGRQHSA-N 1 1 197.278 1.658 10 30 ADEEMO C=CC[C@H]([NH2+][C@H](C)C1CC1)C(=O)OC 905747163 582651536 /nfs/dbraw/zinc/65/15/36/582651536.db2.gz KFGYERPZPVJNMA-SCZZXKLOSA-N 1 1 197.278 1.492 10 30 ADEEMO C=CC[C@H]([NH2+]CC1CCC1)C(=O)OC 905749274 582651584 /nfs/dbraw/zinc/65/15/84/582651584.db2.gz DDYDDXPVXWKCBS-JTQLQIEISA-N 1 1 197.278 1.494 10 30 ADEEMO C=CC[C@@H]([NH2+][C@@H](C)CCC)C(=O)OC 905747292 582651685 /nfs/dbraw/zinc/65/16/85/582651685.db2.gz NENMCZFOIHLDFN-VHSXEESVSA-N 1 1 199.294 1.882 10 30 ADEEMO C=CC[C@@H]([NH2+][C@@H](C)C1CC1)C(=O)OC 905747164 582651753 /nfs/dbraw/zinc/65/17/53/582651753.db2.gz KFGYERPZPVJNMA-WCBMZHEXSA-N 1 1 197.278 1.492 10 30 ADEEMO C#CCCC[NH2+][C@@H](CC=C)C(=O)OC 905759793 582651803 /nfs/dbraw/zinc/65/18/03/582651803.db2.gz DGUFSAOLYXYSLI-JTQLQIEISA-N 1 1 195.262 1.107 10 30 ADEEMO C=CC[C@@H]([NH2+]CCC1CC1)C(=O)OC 905763413 582651805 /nfs/dbraw/zinc/65/18/05/582651805.db2.gz YAYHZAKMBLUAMG-SNVBAGLBSA-N 1 1 197.278 1.494 10 30 ADEEMO C=CC[C@H]([NH2+]CCC1CC1)C(=O)OC 905763412 582651822 /nfs/dbraw/zinc/65/18/22/582651822.db2.gz YAYHZAKMBLUAMG-JTQLQIEISA-N 1 1 197.278 1.494 10 30 ADEEMO C=CC[C@@H]([NH2+]CC1(C)CC1)C(=O)OC 905760046 582651829 /nfs/dbraw/zinc/65/18/29/582651829.db2.gz FLEXUDJDDPOAQG-SECBINFHSA-N 1 1 197.278 1.494 10 30 ADEEMO C=CC[C@@H]([NH2+]CCCCC)C(=O)OC 905744156 582651841 /nfs/dbraw/zinc/65/18/41/582651841.db2.gz AQINMEWZXYNXHW-SNVBAGLBSA-N 1 1 199.294 1.884 10 30 ADEEMO C=CC[C@H]([NH2+][C@H](C)CCC)C(=O)OC 905747293 582651851 /nfs/dbraw/zinc/65/18/51/582651851.db2.gz NENMCZFOIHLDFN-ZJUUUORDSA-N 1 1 199.294 1.882 10 30 ADEEMO C=CC[C@H]([NH2+][C@@H](C)CCC)C(=O)OC 905747291 582651854 /nfs/dbraw/zinc/65/18/54/582651854.db2.gz NENMCZFOIHLDFN-UWVGGRQHSA-N 1 1 199.294 1.882 10 30 ADEEMO C=CC[C@@H]([NH2+]C(CC)CC)C(=O)OC 905747217 582651864 /nfs/dbraw/zinc/65/18/64/582651864.db2.gz LRHQEFMQLYOGFM-SNVBAGLBSA-N 1 1 199.294 1.882 10 30 ADEEMO C=CC[C@H]([NH2+][C@@H](C)C1CC1)C(=O)OC 905747165 582651926 /nfs/dbraw/zinc/65/19/26/582651926.db2.gz KFGYERPZPVJNMA-WPRPVWTQSA-N 1 1 197.278 1.492 10 30 ADEEMO C=CCCC[NH2+][C@@H](CC=C)C(=O)OC 905763232 582652063 /nfs/dbraw/zinc/65/20/63/582652063.db2.gz LYBNBEZRHYOAED-JTQLQIEISA-N 1 1 197.278 1.660 10 30 ADEEMO C=CCC[NH2+][C@H](CC=C)C(=O)OC 905780260 582652079 /nfs/dbraw/zinc/65/20/79/582652079.db2.gz QJTPUSUWRFUAHC-SECBINFHSA-N 1 1 183.251 1.270 10 30 ADEEMO C=CC[C@@H](C)[NH2+][C@H](CC=C)C(=O)OC 905761331 582652115 /nfs/dbraw/zinc/65/21/15/582652115.db2.gz XCFBIKGDQXNHAD-NXEZZACHSA-N 1 1 197.278 1.658 10 30 ADEEMO C=CC[C@@H]([NH2+]CC1CCC1)C(=O)OC 905749276 582652123 /nfs/dbraw/zinc/65/21/23/582652123.db2.gz DDYDDXPVXWKCBS-SNVBAGLBSA-N 1 1 197.278 1.494 10 30 ADEEMO C=CC[C@@H]([NH2+][C@H](C)CCC)C(=O)OC 905747290 582652139 /nfs/dbraw/zinc/65/21/39/582652139.db2.gz NENMCZFOIHLDFN-NXEZZACHSA-N 1 1 199.294 1.882 10 30 ADEEMO C=CC[C@H]([NH2+]CC1(C)CC1)C(=O)OC 905760047 582652144 /nfs/dbraw/zinc/65/21/44/582652144.db2.gz FLEXUDJDDPOAQG-VIFPVBQESA-N 1 1 197.278 1.494 10 30 ADEEMO C=CC[C@@H]([NH2+][C@H](C)C1CC1)C(=O)OC 905747162 582652147 /nfs/dbraw/zinc/65/21/47/582652147.db2.gz KFGYERPZPVJNMA-PSASIEDQSA-N 1 1 197.278 1.492 10 30 ADEEMO C=CC[C@H]([NH2+]C1CCCC1)C(=O)OC 905747286 582652152 /nfs/dbraw/zinc/65/21/52/582652152.db2.gz NCNZAHSODFFONA-JTQLQIEISA-N 1 1 197.278 1.636 10 30 ADEEMO C=CC[C@H]([NH2+]CCC(C)C)C(=O)OC 905748677 582652154 /nfs/dbraw/zinc/65/21/54/582652154.db2.gz XRYUJEAHIZCFJS-JTQLQIEISA-N 1 1 199.294 1.740 10 30 ADEEMO C=CCC[NH2+][C@@H](CC=C)C(=O)OC 905780261 582652165 /nfs/dbraw/zinc/65/21/65/582652165.db2.gz QJTPUSUWRFUAHC-VIFPVBQESA-N 1 1 183.251 1.270 10 30 ADEEMO C=CC[C@@H]([NH2+]C1CCCC1)C(=O)OC 905747287 582652169 /nfs/dbraw/zinc/65/21/69/582652169.db2.gz NCNZAHSODFFONA-SNVBAGLBSA-N 1 1 197.278 1.636 10 30 ADEEMO C=CC[C@H]([NH2+][C@H](C)CC=C)C(=O)OC 905761334 582652181 /nfs/dbraw/zinc/65/21/81/582652181.db2.gz XCFBIKGDQXNHAD-ZJUUUORDSA-N 1 1 197.278 1.658 10 30 ADEEMO C=CC[C@H]([NH2+]CCCC)C(=O)OC 905747126 582652183 /nfs/dbraw/zinc/65/21/83/582652183.db2.gz JRRULFZTWWQLLZ-VIFPVBQESA-N 1 1 185.267 1.494 10 30 ADEEMO C=CC[C@H](C)[NH2+][C@H](CC=C)C(=O)OC 905761333 582652207 /nfs/dbraw/zinc/65/22/07/582652207.db2.gz XCFBIKGDQXNHAD-VHSXEESVSA-N 1 1 197.278 1.658 10 30 ADEEMO C#CCCC[NH2+][C@H](CC=C)C(=O)OC 905759794 582652214 /nfs/dbraw/zinc/65/22/14/582652214.db2.gz DGUFSAOLYXYSLI-SNVBAGLBSA-N 1 1 195.262 1.107 10 30 ADEEMO C=CC[C@H]([NH2+]C(CC)CC)C(=O)OC 905747216 582652235 /nfs/dbraw/zinc/65/22/35/582652235.db2.gz LRHQEFMQLYOGFM-JTQLQIEISA-N 1 1 199.294 1.882 10 30 ADEEMO C=CC[C@H]([NH2+]CCC(=C)C)C(=O)OC 905769961 582652564 /nfs/dbraw/zinc/65/25/64/582652564.db2.gz KNGUVQVJYWQUNA-JTQLQIEISA-N 1 1 197.278 1.660 10 30 ADEEMO C=CC[C@@H]([NH2+]CCC(=C)C)C(=O)OC 905769962 582652788 /nfs/dbraw/zinc/65/27/88/582652788.db2.gz KNGUVQVJYWQUNA-SNVBAGLBSA-N 1 1 197.278 1.660 10 30 ADEEMO C[C@@H]1CC[N@H+]1C[C@@H](O)CC1(C#N)CC1 905971713 582653289 /nfs/dbraw/zinc/65/32/89/582653289.db2.gz COVMJSHWFYYHNA-ZJUUUORDSA-N 1 1 194.278 1.135 10 30 ADEEMO C[C@@H]1CC[N@H+]1C[C@H](O)CC1(C#N)CC1 905971701 582653475 /nfs/dbraw/zinc/65/34/75/582653475.db2.gz COVMJSHWFYYHNA-NXEZZACHSA-N 1 1 194.278 1.135 10 30 ADEEMO C[C@H]1CC[N@H+]1C[C@@H](O)CC1(C#N)CC1 905971710 582653536 /nfs/dbraw/zinc/65/35/36/582653536.db2.gz COVMJSHWFYYHNA-UWVGGRQHSA-N 1 1 194.278 1.135 10 30 ADEEMO C[C@H]1CC[N@H+]1C[C@H](O)CC1(C#N)CC1 905971712 582653656 /nfs/dbraw/zinc/65/36/56/582653656.db2.gz COVMJSHWFYYHNA-VHSXEESVSA-N 1 1 194.278 1.135 10 30 ADEEMO C=C(C)CC[N@H+]1CCCC[C@H]1CO 168017153 582661821 /nfs/dbraw/zinc/66/18/21/582661821.db2.gz DINANNPVRLPGEM-NSHDSACASA-N 1 1 183.295 1.799 10 30 ADEEMO C=C(C)CC[N@H+](C)C(C)(C)CO 168035758 582662065 /nfs/dbraw/zinc/66/20/65/582662065.db2.gz WHLAOPYFIQDSNY-UHFFFAOYSA-N 1 1 171.284 1.655 10 30 ADEEMO C#CC[C@H]1CCC[N@H+]([C@@H]2CCOC2)C1 829810076 582667341 /nfs/dbraw/zinc/66/73/41/582667341.db2.gz LNENUZDONKOLPP-NWDGAFQWSA-N 1 1 193.290 1.511 10 30 ADEEMO C#CC[C@@H]1CCC[N@H+]([C@H]2CCOC2)C1 829810075 582667207 /nfs/dbraw/zinc/66/72/07/582667207.db2.gz LNENUZDONKOLPP-NEPJUHHUSA-N 1 1 193.290 1.511 10 30 ADEEMO C#CC[C@@H]1CCC[N@H+]([C@@H]2CCOC2)C1 829810078 582667227 /nfs/dbraw/zinc/66/72/27/582667227.db2.gz LNENUZDONKOLPP-VXGBXAGGSA-N 1 1 193.290 1.511 10 30 ADEEMO C#CCC[N@@H+](C[C@H](C)C#N)C1CC1 760888986 582667293 /nfs/dbraw/zinc/66/72/93/582667293.db2.gz VQAMKCNNJRLOMV-SNVBAGLBSA-N 1 1 176.263 1.634 10 30 ADEEMO C#CCC[N@H+](C[C@H](C)C#N)C1CC1 760888986 582667294 /nfs/dbraw/zinc/66/72/94/582667294.db2.gz VQAMKCNNJRLOMV-SNVBAGLBSA-N 1 1 176.263 1.634 10 30 ADEEMO C#CC[C@H]1CCC[N@@H+](CC#C)C1 829773190 582667297 /nfs/dbraw/zinc/66/72/97/582667297.db2.gz BJPIRPGEOICPPG-NSHDSACASA-N 1 1 161.248 1.355 10 30 ADEEMO C#CC[C@@H]1CCC[N@@H+](CC#C)C1 829773184 582667303 /nfs/dbraw/zinc/66/73/03/582667303.db2.gz BJPIRPGEOICPPG-LLVKDONJSA-N 1 1 161.248 1.355 10 30 ADEEMO C#CCC[N@@H+](C[C@@H](C)C#N)C1CC1 760888984 582667363 /nfs/dbraw/zinc/66/73/63/582667363.db2.gz VQAMKCNNJRLOMV-JTQLQIEISA-N 1 1 176.263 1.634 10 30 ADEEMO C#CCC[N@H+](C[C@@H](C)C#N)C1CC1 760888984 582667365 /nfs/dbraw/zinc/66/73/65/582667365.db2.gz VQAMKCNNJRLOMV-JTQLQIEISA-N 1 1 176.263 1.634 10 30 ADEEMO C#CC[C@H]1CCC[N@H+]([C@H]2CCOC2)C1 829810077 582667600 /nfs/dbraw/zinc/66/76/00/582667600.db2.gz LNENUZDONKOLPP-RYUDHWBXSA-N 1 1 193.290 1.511 10 30 ADEEMO CC(C)ON=C1CCC[N@@H+](C)CC1 835001172 582670451 /nfs/dbraw/zinc/67/04/51/582670451.db2.gz CQHUDMIIQFSMHP-UHFFFAOYSA-N 1 1 184.283 1.883 10 30 ADEEMO C=CCON=C1C[N@@H+](C(C)C)C[C@@H]1C 835012923 582670661 /nfs/dbraw/zinc/67/06/61/582670661.db2.gz ANIWRAAUKJVRMK-JTQLQIEISA-N 1 1 196.294 1.905 10 30 ADEEMO C=CCON=C1C[N@@H+](C(C)C)C[C@H]1C 835012924 582670857 /nfs/dbraw/zinc/67/08/57/582670857.db2.gz ANIWRAAUKJVRMK-SNVBAGLBSA-N 1 1 196.294 1.905 10 30 ADEEMO C=CCCCCC[N@@H+](C)CCN 231360855 582672972 /nfs/dbraw/zinc/67/29/72/582672972.db2.gz YGDJLVSCNSWORE-UHFFFAOYSA-N 1 1 170.300 1.623 10 30 ADEEMO C[C@@H]1C[N@H+](C)CC1=NNC12CC(C1)C2 842546115 582675778 /nfs/dbraw/zinc/67/57/78/582675778.db2.gz PVVOEAPBISXCDN-FKTRJACZSA-N 1 1 193.294 1.066 10 30 ADEEMO C[C@@H]1C[N@@H+](C)CC1=NNC12CC(C1)C2 842546115 582675780 /nfs/dbraw/zinc/67/57/80/582675780.db2.gz PVVOEAPBISXCDN-FKTRJACZSA-N 1 1 193.294 1.066 10 30 ADEEMO C[C@H]1C[N@H+](C)CC1=NNC12CC(C1)C2 842546124 582676353 /nfs/dbraw/zinc/67/63/53/582676353.db2.gz PVVOEAPBISXCDN-SILCLGDVSA-N 1 1 193.294 1.066 10 30 ADEEMO C[C@H]1C[N@@H+](C)CC1=NNC12CC(C1)C2 842546124 582676355 /nfs/dbraw/zinc/67/63/55/582676355.db2.gz PVVOEAPBISXCDN-SILCLGDVSA-N 1 1 193.294 1.066 10 30 ADEEMO C=CCCC[N@H+](C)[C@H](CC)CN 136034689 582677289 /nfs/dbraw/zinc/67/72/89/582677289.db2.gz DHTMKPAFOQOTOW-SNVBAGLBSA-N 1 1 170.300 1.622 10 30 ADEEMO C=CCCCN(C)[C@H](CC)C[NH3+] 136034689 582677292 /nfs/dbraw/zinc/67/72/92/582677292.db2.gz DHTMKPAFOQOTOW-SNVBAGLBSA-N 1 1 170.300 1.622 10 30 ADEEMO C#CCC[C@@H]([NH3+])C(=O)OC(C)(C)C 136838235 582677440 /nfs/dbraw/zinc/67/74/40/582677440.db2.gz LBLFZJUYLFNQQM-MRVPVSSYSA-N 1 1 183.251 1.069 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)CCc1cccnc1 769962027 582683121 /nfs/dbraw/zinc/68/31/21/582683121.db2.gz AEHOGJSHIOPZHM-NSHDSACASA-N 1 1 188.274 1.578 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)CCc1cccnc1 769962020 582683268 /nfs/dbraw/zinc/68/32/68/582683268.db2.gz AEHOGJSHIOPZHM-LLVKDONJSA-N 1 1 188.274 1.578 10 30 ADEEMO C=CCCC[N@H+](C)CN1CCCC1=O 736585627 582688855 /nfs/dbraw/zinc/68/88/55/582688855.db2.gz VGTYTSOHGNMZRG-UHFFFAOYSA-N 1 1 196.294 1.464 10 30 ADEEMO C=CCCC[N@@H+](C)Cc1nonc1C 736623902 582689254 /nfs/dbraw/zinc/68/92/54/582689254.db2.gz TUFTWGRRCBHXGG-UHFFFAOYSA-N 1 1 195.266 1.776 10 30 ADEEMO C=CCCC[N@H+](C)Cc1nonc1C 736623902 582689256 /nfs/dbraw/zinc/68/92/56/582689256.db2.gz TUFTWGRRCBHXGG-UHFFFAOYSA-N 1 1 195.266 1.776 10 30 ADEEMO CC#CCC[N@@H+](CCO)C(C)C 157775381 582695923 /nfs/dbraw/zinc/69/59/23/582695923.db2.gz AMLNUXHGHIOKTL-UHFFFAOYSA-N 1 1 169.268 1.103 10 30 ADEEMO C=C(C)CC[N@H+](C)[C@@H](C)CO 168048396 582698063 /nfs/dbraw/zinc/69/80/63/582698063.db2.gz KJLULOYBNRJJTR-VIFPVBQESA-N 1 1 157.257 1.265 10 30 ADEEMO C=C(C)CC[N@H+](CCO)C(C)C 168018654 582706330 /nfs/dbraw/zinc/70/63/30/582706330.db2.gz BPGOBAFPJSDALU-UHFFFAOYSA-N 1 1 171.284 1.655 10 30 ADEEMO C#CC[N@H+](CCC#N)C1CCCC1 756912480 582706609 /nfs/dbraw/zinc/70/66/09/582706609.db2.gz WCPCLHWLMQHASE-UHFFFAOYSA-N 1 1 176.263 1.778 10 30 ADEEMO C#CC[N@@H+](CCC#N)C1CCCC1 756912480 582706612 /nfs/dbraw/zinc/70/66/12/582706612.db2.gz WCPCLHWLMQHASE-UHFFFAOYSA-N 1 1 176.263 1.778 10 30 ADEEMO C#C[C@@H]1CCCC[N@@H+]1C 196807798 582713782 /nfs/dbraw/zinc/71/37/82/582713782.db2.gz XBTVNORIUMOMKF-MRVPVSSYSA-N 1 1 123.199 1.104 10 30 ADEEMO C#C[C@H]1CCCC[N@@H+]1C 196807783 582713876 /nfs/dbraw/zinc/71/38/76/582713876.db2.gz XBTVNORIUMOMKF-QMMMGPOBSA-N 1 1 123.199 1.104 10 30 ADEEMO C=CC[N@@H+](C[C@H](O)C1CC1)C(C)C 838793642 582721319 /nfs/dbraw/zinc/72/13/19/582721319.db2.gz PCHRZFONEMRUDQ-NSHDSACASA-N 1 1 183.295 1.654 10 30 ADEEMO C=CC[N@@H+](C[C@@H](O)C1CC1)C(C)C 838793639 582721365 /nfs/dbraw/zinc/72/13/65/582721365.db2.gz PCHRZFONEMRUDQ-LLVKDONJSA-N 1 1 183.295 1.654 10 30 ADEEMO CC[N@@H+](C[C@H](C)C#N)C[C@@H](O)C1CC1 838808890 582721889 /nfs/dbraw/zinc/72/18/89/582721889.db2.gz KCMSGJNWWBVUMJ-MWLCHTKSSA-N 1 1 196.294 1.239 10 30 ADEEMO CC[N@@H+](C[C@@H](C)C#N)C[C@H](O)C1CC1 838808891 582721927 /nfs/dbraw/zinc/72/19/27/582721927.db2.gz KCMSGJNWWBVUMJ-ONGXEEELSA-N 1 1 196.294 1.239 10 30 ADEEMO CC[N@H+](C[C@@H](O)C1CC1)C[C@@H](C)C#N 838808888 582721943 /nfs/dbraw/zinc/72/19/43/582721943.db2.gz KCMSGJNWWBVUMJ-GXSJLCMTSA-N 1 1 196.294 1.239 10 30 ADEEMO C=C(C)C[N@@H+](CC)C[C@@H](O)C1CC1 838787846 582722033 /nfs/dbraw/zinc/72/20/33/582722033.db2.gz KOUUYNWMMKQKSQ-LLVKDONJSA-N 1 1 183.295 1.655 10 30 ADEEMO C=C(C)C[N@@H+](CC)C[C@H](O)C1CC1 838787890 582722067 /nfs/dbraw/zinc/72/20/67/582722067.db2.gz KOUUYNWMMKQKSQ-NSHDSACASA-N 1 1 183.295 1.655 10 30 ADEEMO CC[N@@H+](C[C@H](C)C#N)C[C@H](O)C1CC1 838808889 582722238 /nfs/dbraw/zinc/72/22/38/582722238.db2.gz KCMSGJNWWBVUMJ-KOLCDFICSA-N 1 1 196.294 1.239 10 30 ADEEMO C#CC[N@@H+](C)CCn1cc(Cl)cn1 838961985 582722853 /nfs/dbraw/zinc/72/28/53/582722853.db2.gz FIFCXLZVKJQLJK-UHFFFAOYSA-N 1 1 197.669 1.102 10 30 ADEEMO C=C[C@H]1CCCC[N@@H+]1C[C@@H](O)C1CC1 838975416 582722866 /nfs/dbraw/zinc/72/28/66/582722866.db2.gz QKDLODCIJJSMJH-NWDGAFQWSA-N 1 1 195.306 1.798 10 30 ADEEMO C#CC(C)(C)[N@@H+](C)C[C@H](O)C1CC1 838972074 582723035 /nfs/dbraw/zinc/72/30/35/582723035.db2.gz OBBANNVZTSBEBS-JTQLQIEISA-N 1 1 181.279 1.101 10 30 ADEEMO C=CC[N@H+](C[C@H](O)C1CC1)C1CC1 838910548 582723180 /nfs/dbraw/zinc/72/31/80/582723180.db2.gz BFUVCANVRBFOSG-NSHDSACASA-N 1 1 181.279 1.408 10 30 ADEEMO C=C[C@@H]1CCCC[N@@H+]1C[C@H](O)C1CC1 838975415 582723241 /nfs/dbraw/zinc/72/32/41/582723241.db2.gz QKDLODCIJJSMJH-NEPJUHHUSA-N 1 1 195.306 1.798 10 30 ADEEMO C#CC[N@@H+](C)CCOCC1CCCC1 838961819 582723267 /nfs/dbraw/zinc/72/32/67/582723267.db2.gz DGXJMIALKHUFOS-UHFFFAOYSA-N 1 1 195.306 1.758 10 30 ADEEMO C#CC[N@H+](C)C1CC(OC(C)C)C1 838961665 582723351 /nfs/dbraw/zinc/72/33/51/582723351.db2.gz ALUIALQHZUZEHH-UHFFFAOYSA-N 1 1 181.279 1.507 10 30 ADEEMO C=CC[N@H+](C[C@@H](O)C1CC1)C1CC1 838910547 582723425 /nfs/dbraw/zinc/72/34/25/582723425.db2.gz BFUVCANVRBFOSG-LLVKDONJSA-N 1 1 181.279 1.408 10 30 ADEEMO C#CC(C)(C)[N@@H+](C)C[C@@H](O)C1CC1 838972075 582723710 /nfs/dbraw/zinc/72/37/10/582723710.db2.gz OBBANNVZTSBEBS-SNVBAGLBSA-N 1 1 181.279 1.101 10 30 ADEEMO C=C[C@H]1CCCC[N@@H+]1C[C@H](O)C1CC1 838975417 582723831 /nfs/dbraw/zinc/72/38/31/582723831.db2.gz QKDLODCIJJSMJH-RYUDHWBXSA-N 1 1 195.306 1.798 10 30 ADEEMO C=C[C@@H]1CCCC[N@@H+]1C[C@@H](O)C1CC1 838975418 582723916 /nfs/dbraw/zinc/72/39/16/582723916.db2.gz QKDLODCIJJSMJH-VXGBXAGGSA-N 1 1 195.306 1.798 10 30 ADEEMO C=CCCC[N@H+]1CCCN(C=O)CC1 839018225 582725433 /nfs/dbraw/zinc/72/54/33/582725433.db2.gz IBPNBJMIBRTBBX-UHFFFAOYSA-N 1 1 196.294 1.117 10 30 ADEEMO C=CCC[N@@H+](C)Cc1cnn(CC)n1 839033642 582725546 /nfs/dbraw/zinc/72/55/46/582725546.db2.gz HBKKDQCGQPDUPB-UHFFFAOYSA-N 1 1 194.282 1.306 10 30 ADEEMO C=CCC[N@H+](C)Cc1cnn(CC)n1 839033642 582725548 /nfs/dbraw/zinc/72/55/48/582725548.db2.gz HBKKDQCGQPDUPB-UHFFFAOYSA-N 1 1 194.282 1.306 10 30 ADEEMO C#CCC[N@@H+]1CCCC[C@@H]1C1(O)CC1 839139377 582726343 /nfs/dbraw/zinc/72/63/43/582726343.db2.gz FBWXXDVHUSUQMD-LLVKDONJSA-N 1 1 193.290 1.389 10 30 ADEEMO C#CCC[N@@H+]1CCCC[C@H]1C1(O)CC1 839139379 582726669 /nfs/dbraw/zinc/72/66/69/582726669.db2.gz FBWXXDVHUSUQMD-NSHDSACASA-N 1 1 193.290 1.389 10 30 ADEEMO C#C[C@H]1COCC[N@@H+]1C[C@@H](C)CCC 839188712 582726907 /nfs/dbraw/zinc/72/69/07/582726907.db2.gz IGZYWXYHCPLKNX-RYUDHWBXSA-N 1 1 195.306 1.757 10 30 ADEEMO C#C[C@@H]1COCC[N@@H+]1C[C@H](C)CC 839188864 582726926 /nfs/dbraw/zinc/72/69/26/582726926.db2.gz IYULVATXKVLBGE-GHMZBOCLSA-N 1 1 181.279 1.367 10 30 ADEEMO C#C[C@H]1COCC[N@@H+]1[C@H]1C=CCCC1 839196259 582727056 /nfs/dbraw/zinc/72/70/56/582727056.db2.gz BDNMCZQBQSYRPH-RYUDHWBXSA-N 1 1 191.274 1.429 10 30 ADEEMO C#C[C@H]1COCC[N@H+]1[C@H]1C=CCCC1 839196259 582727058 /nfs/dbraw/zinc/72/70/58/582727058.db2.gz BDNMCZQBQSYRPH-RYUDHWBXSA-N 1 1 191.274 1.429 10 30 ADEEMO C#C[C@@H]1COCC[N@@H+]1C[C@@H](C)CC 839188868 582726989 /nfs/dbraw/zinc/72/69/89/582726989.db2.gz IYULVATXKVLBGE-WDEREUQCSA-N 1 1 181.279 1.367 10 30 ADEEMO C#C[C@@H]1COCC[N@H+]1CCCC 839196874 582727020 /nfs/dbraw/zinc/72/70/20/582727020.db2.gz SLTFKDLKBHFYPZ-SNVBAGLBSA-N 1 1 167.252 1.121 10 30 ADEEMO C#C[C@@H]1COCC[N@@H+]1CCCC 839196874 582727023 /nfs/dbraw/zinc/72/70/23/582727023.db2.gz SLTFKDLKBHFYPZ-SNVBAGLBSA-N 1 1 167.252 1.121 10 30 ADEEMO C#C[C@H]1COCC[N@H+]1CCCC 839196873 582727028 /nfs/dbraw/zinc/72/70/28/582727028.db2.gz SLTFKDLKBHFYPZ-JTQLQIEISA-N 1 1 167.252 1.121 10 30 ADEEMO C#C[C@H]1COCC[N@@H+]1CCCC 839196873 582727030 /nfs/dbraw/zinc/72/70/30/582727030.db2.gz SLTFKDLKBHFYPZ-JTQLQIEISA-N 1 1 167.252 1.121 10 30 ADEEMO C#C[C@H]1COCC[N@H+]1CCCC(C)C 839188789 582727094 /nfs/dbraw/zinc/72/70/94/582727094.db2.gz IOTPBMVPXFXISB-LBPRGKRZSA-N 1 1 195.306 1.757 10 30 ADEEMO C#C[C@H]1COCC[N@@H+]1CCCC(C)C 839188789 582727096 /nfs/dbraw/zinc/72/70/96/582727096.db2.gz IOTPBMVPXFXISB-LBPRGKRZSA-N 1 1 195.306 1.757 10 30 ADEEMO C#C[C@H]1COCC[N@@H+]1CCC1CC1 839197016 582727106 /nfs/dbraw/zinc/72/71/06/582727106.db2.gz YGMUEKICGPQLFL-NSHDSACASA-N 1 1 179.263 1.121 10 30 ADEEMO C#C[C@H]1COCC[N@H+]1CCC1CC1 839197016 582727108 /nfs/dbraw/zinc/72/71/08/582727108.db2.gz YGMUEKICGPQLFL-NSHDSACASA-N 1 1 179.263 1.121 10 30 ADEEMO C#C[C@H]1COCC[N@@H+]1CCC(C)(C)C 839188701 582727112 /nfs/dbraw/zinc/72/71/12/582727112.db2.gz HRJIHBVJUIJGFG-NSHDSACASA-N 1 1 195.306 1.757 10 30 ADEEMO C#C[C@@H]1COCC[N@H+]1CC1CCCC1 839189844 582727168 /nfs/dbraw/zinc/72/71/68/582727168.db2.gz YGKXGTQAUNKDMZ-GFCCVEGCSA-N 1 1 193.290 1.511 10 30 ADEEMO C#C[C@@H]1COCC[N@@H+]1CCC1CC1 839197015 582727185 /nfs/dbraw/zinc/72/71/85/582727185.db2.gz YGMUEKICGPQLFL-LLVKDONJSA-N 1 1 179.263 1.121 10 30 ADEEMO C#C[C@@H]1COCC[N@H+]1CCC1CC1 839197015 582727186 /nfs/dbraw/zinc/72/71/86/582727186.db2.gz YGMUEKICGPQLFL-LLVKDONJSA-N 1 1 179.263 1.121 10 30 ADEEMO C#C[C@@H]1COCC[N@@H+]1C[C@H](C)CCC 839188713 582727197 /nfs/dbraw/zinc/72/71/97/582727197.db2.gz IGZYWXYHCPLKNX-VXGBXAGGSA-N 1 1 195.306 1.757 10 30 ADEEMO C#C[C@@H]1COCC[N@@H+]1[C@@H]1C=CCCC1 839196260 582727217 /nfs/dbraw/zinc/72/72/17/582727217.db2.gz BDNMCZQBQSYRPH-VXGBXAGGSA-N 1 1 191.274 1.429 10 30 ADEEMO C#C[C@@H]1COCC[N@H+]1[C@@H]1C=CCCC1 839196260 582727220 /nfs/dbraw/zinc/72/72/20/582727220.db2.gz BDNMCZQBQSYRPH-VXGBXAGGSA-N 1 1 191.274 1.429 10 30 ADEEMO C#C[C@H]1COCC[N@@H+]1CC1CCC1 839196484 582727224 /nfs/dbraw/zinc/72/72/24/582727224.db2.gz IKVFMOUIQZOSOL-NSHDSACASA-N 1 1 179.263 1.121 10 30 ADEEMO C#C[C@H]1COCC[N@H+]1CC1CCC1 839196484 582727225 /nfs/dbraw/zinc/72/72/25/582727225.db2.gz IKVFMOUIQZOSOL-NSHDSACASA-N 1 1 179.263 1.121 10 30 ADEEMO C#C[C@H]1COCC[N@H+]1CC1CCCC1 839189845 582727245 /nfs/dbraw/zinc/72/72/45/582727245.db2.gz YGKXGTQAUNKDMZ-LBPRGKRZSA-N 1 1 193.290 1.511 10 30 ADEEMO C#C[C@@H]1COCC[N@@H+]1CCC(C)(C)C 839188700 582727285 /nfs/dbraw/zinc/72/72/85/582727285.db2.gz HRJIHBVJUIJGFG-LLVKDONJSA-N 1 1 195.306 1.757 10 30 ADEEMO C#C[C@H]1COCC[N@@H+]1CC(CC)CC 839186653 582727311 /nfs/dbraw/zinc/72/73/11/582727311.db2.gz NPABBMSHOMEBKH-LBPRGKRZSA-N 1 1 195.306 1.757 10 30 ADEEMO C#C[C@@H]1COCC[N@H+]1CCC(C)C 839189597 582727358 /nfs/dbraw/zinc/72/73/58/582727358.db2.gz WDYIRJSUAPYZQM-LLVKDONJSA-N 1 1 181.279 1.367 10 30 ADEEMO C#C[C@@H]1COCC[N@@H+]1CCC(C)C 839189597 582727362 /nfs/dbraw/zinc/72/73/62/582727362.db2.gz WDYIRJSUAPYZQM-LLVKDONJSA-N 1 1 181.279 1.367 10 30 ADEEMO C#C[C@H]1COCC[N@H+]1CCCCCC 839196564 582727372 /nfs/dbraw/zinc/72/73/72/582727372.db2.gz MJMOUWLRUCRDHI-LBPRGKRZSA-N 1 1 195.306 1.901 10 30 ADEEMO C#C[C@H]1COCC[N@@H+]1CCCCCC 839196564 582727376 /nfs/dbraw/zinc/72/73/76/582727376.db2.gz MJMOUWLRUCRDHI-LBPRGKRZSA-N 1 1 195.306 1.901 10 30 ADEEMO C#C[C@H]1COCC[N@@H+]1C[C@@H](C)CC 839188867 582727463 /nfs/dbraw/zinc/72/74/63/582727463.db2.gz IYULVATXKVLBGE-QWRGUYRKSA-N 1 1 181.279 1.367 10 30 ADEEMO C#C[C@H]1COCC[N@H+]1CCCC=C 839196838 582727517 /nfs/dbraw/zinc/72/75/17/582727517.db2.gz QQKBPZAVIARPMB-NSHDSACASA-N 1 1 179.263 1.287 10 30 ADEEMO C#C[C@H]1COCC[N@@H+]1CCCC=C 839196838 582727519 /nfs/dbraw/zinc/72/75/19/582727519.db2.gz QQKBPZAVIARPMB-NSHDSACASA-N 1 1 179.263 1.287 10 30 ADEEMO C#C[C@@H]1COCC[N@@H+]1C[Si](C)(C)C 839197013 582727537 /nfs/dbraw/zinc/72/75/37/582727537.db2.gz YAVLTJLLHMYEIV-SNVBAGLBSA-N 1 1 197.354 1.198 10 30 ADEEMO C#C[C@@H]1COCC[N@H+]1CCCCCC 839196563 582727560 /nfs/dbraw/zinc/72/75/60/582727560.db2.gz MJMOUWLRUCRDHI-GFCCVEGCSA-N 1 1 195.306 1.901 10 30 ADEEMO C#C[C@@H]1COCC[N@@H+]1CCCCCC 839196563 582727561 /nfs/dbraw/zinc/72/75/61/582727561.db2.gz MJMOUWLRUCRDHI-GFCCVEGCSA-N 1 1 195.306 1.901 10 30 ADEEMO C#C[C@@H]1COCC[N@@H+]1C[C@@H](C)CCC 839188711 582727578 /nfs/dbraw/zinc/72/75/78/582727578.db2.gz IGZYWXYHCPLKNX-NWDGAFQWSA-N 1 1 195.306 1.757 10 30 ADEEMO C#C[C@H]1COCC[N@@H+]1C[C@H](C)CC 839188865 582727588 /nfs/dbraw/zinc/72/75/88/582727588.db2.gz IYULVATXKVLBGE-MNOVXSKESA-N 1 1 181.279 1.367 10 30 ADEEMO C#C[C@@H]1COCC[N@@H+]1CC(CC)CC 839186652 582727671 /nfs/dbraw/zinc/72/76/71/582727671.db2.gz NPABBMSHOMEBKH-GFCCVEGCSA-N 1 1 195.306 1.757 10 30 ADEEMO C#C[C@H]1COCC[N@@H+]1C[C@H](C)CCC 839188710 582727700 /nfs/dbraw/zinc/72/77/00/582727700.db2.gz IGZYWXYHCPLKNX-NEPJUHHUSA-N 1 1 195.306 1.757 10 30 ADEEMO C#C[C@@H]1COCC[N@@H+]1CC1CCC1 839196483 582727709 /nfs/dbraw/zinc/72/77/09/582727709.db2.gz IKVFMOUIQZOSOL-LLVKDONJSA-N 1 1 179.263 1.121 10 30 ADEEMO C#C[C@@H]1COCC[N@H+]1CC1CCC1 839196483 582727710 /nfs/dbraw/zinc/72/77/10/582727710.db2.gz IKVFMOUIQZOSOL-LLVKDONJSA-N 1 1 179.263 1.121 10 30 ADEEMO C#C[C@@H]1COCC[N@@H+]1[C@H]1C=CCCC1 839196256 582727745 /nfs/dbraw/zinc/72/77/45/582727745.db2.gz BDNMCZQBQSYRPH-NEPJUHHUSA-N 1 1 191.274 1.429 10 30 ADEEMO C#C[C@@H]1COCC[N@H+]1[C@H]1C=CCCC1 839196256 582727751 /nfs/dbraw/zinc/72/77/51/582727751.db2.gz BDNMCZQBQSYRPH-NEPJUHHUSA-N 1 1 191.274 1.429 10 30 ADEEMO C#C[C@H]1COCC[N@@H+]1C[Si](C)(C)C 839197002 582727808 /nfs/dbraw/zinc/72/78/08/582727808.db2.gz YAVLTJLLHMYEIV-JTQLQIEISA-N 1 1 197.354 1.198 10 30 ADEEMO C#C[C@H]1COCC[N@H+]1CCCCC 839196898 582727826 /nfs/dbraw/zinc/72/78/26/582727826.db2.gz VMKGBVSLNHTHAE-NSHDSACASA-N 1 1 181.279 1.511 10 30 ADEEMO C#C[C@H]1COCC[N@@H+]1CCCCC 839196898 582727829 /nfs/dbraw/zinc/72/78/29/582727829.db2.gz VMKGBVSLNHTHAE-NSHDSACASA-N 1 1 181.279 1.511 10 30 ADEEMO C#C[C@H]1COCC[N@H+]1CCC(C)C 839189598 582727835 /nfs/dbraw/zinc/72/78/35/582727835.db2.gz WDYIRJSUAPYZQM-NSHDSACASA-N 1 1 181.279 1.367 10 30 ADEEMO C#C[C@H]1COCC[N@@H+]1CCC(C)C 839189598 582727838 /nfs/dbraw/zinc/72/78/38/582727838.db2.gz WDYIRJSUAPYZQM-NSHDSACASA-N 1 1 181.279 1.367 10 30 ADEEMO C#C[C@H]1COCC[N@@H+]1[C@@H]1C=CCCC1 839196257 582727906 /nfs/dbraw/zinc/72/79/06/582727906.db2.gz BDNMCZQBQSYRPH-NWDGAFQWSA-N 1 1 191.274 1.429 10 30 ADEEMO C#C[C@H]1COCC[N@H+]1[C@@H]1C=CCCC1 839196257 582727907 /nfs/dbraw/zinc/72/79/07/582727907.db2.gz BDNMCZQBQSYRPH-NWDGAFQWSA-N 1 1 191.274 1.429 10 30 ADEEMO C#C[C@@H]1COCC[N@H+]1CCCC=C 839196837 582727912 /nfs/dbraw/zinc/72/79/12/582727912.db2.gz QQKBPZAVIARPMB-LLVKDONJSA-N 1 1 179.263 1.287 10 30 ADEEMO C#C[C@@H]1COCC[N@@H+]1CCCC=C 839196837 582727913 /nfs/dbraw/zinc/72/79/13/582727913.db2.gz QQKBPZAVIARPMB-LLVKDONJSA-N 1 1 179.263 1.287 10 30 ADEEMO C#C[C@@H]1COCC[N@H+]1CCCC(C)C 839188788 582727916 /nfs/dbraw/zinc/72/79/16/582727916.db2.gz IOTPBMVPXFXISB-GFCCVEGCSA-N 1 1 195.306 1.757 10 30 ADEEMO C#C[C@@H]1COCC[N@@H+]1CCCC(C)C 839188788 582727917 /nfs/dbraw/zinc/72/79/17/582727917.db2.gz IOTPBMVPXFXISB-GFCCVEGCSA-N 1 1 195.306 1.757 10 30 ADEEMO C#C[C@@H]1COCC[N@H+]1CCCCC 839196897 582727923 /nfs/dbraw/zinc/72/79/23/582727923.db2.gz VMKGBVSLNHTHAE-LLVKDONJSA-N 1 1 181.279 1.511 10 30 ADEEMO C#C[C@@H]1COCC[N@@H+]1CCCCC 839196897 582727924 /nfs/dbraw/zinc/72/79/24/582727924.db2.gz VMKGBVSLNHTHAE-LLVKDONJSA-N 1 1 181.279 1.511 10 30 ADEEMO C#C[C@H]1COCC[N@H+]1CC/C=C/CC 839199832 582728087 /nfs/dbraw/zinc/72/80/87/582728087.db2.gz YCNOIHUHCKCPEO-FYJFLYSWSA-N 1 1 193.290 1.677 10 30 ADEEMO C#C[C@H]1COCC[N@@H+]1CC/C=C/CC 839199832 582728090 /nfs/dbraw/zinc/72/80/90/582728090.db2.gz YCNOIHUHCKCPEO-FYJFLYSWSA-N 1 1 193.290 1.677 10 30 ADEEMO C#C[C@@H]1COCC[N@H+]1CC/C=C/CC 839199829 582728169 /nfs/dbraw/zinc/72/81/69/582728169.db2.gz YCNOIHUHCKCPEO-BTDICHCPSA-N 1 1 193.290 1.677 10 30 ADEEMO C#C[C@@H]1COCC[N@@H+]1CC/C=C/CC 839199829 582728171 /nfs/dbraw/zinc/72/81/71/582728171.db2.gz YCNOIHUHCKCPEO-BTDICHCPSA-N 1 1 193.290 1.677 10 30 ADEEMO C#C[C@@H]1COCC[N@H+]1CCCCC=C 839198264 582728225 /nfs/dbraw/zinc/72/82/25/582728225.db2.gz KGDXIIBPRDHRQM-GFCCVEGCSA-N 1 1 193.290 1.677 10 30 ADEEMO C#C[C@@H]1COCC[N@@H+]1CCCCC=C 839198264 582728228 /nfs/dbraw/zinc/72/82/28/582728228.db2.gz KGDXIIBPRDHRQM-GFCCVEGCSA-N 1 1 193.290 1.677 10 30 ADEEMO C#C[C@H]1COCC[N@H+]1CCCCC=C 839198265 582728259 /nfs/dbraw/zinc/72/82/59/582728259.db2.gz KGDXIIBPRDHRQM-LBPRGKRZSA-N 1 1 193.290 1.677 10 30 ADEEMO C#C[C@H]1COCC[N@@H+]1CCCCC=C 839198265 582728261 /nfs/dbraw/zinc/72/82/61/582728261.db2.gz KGDXIIBPRDHRQM-LBPRGKRZSA-N 1 1 193.290 1.677 10 30 ADEEMO C#C[C@H]1COCC[N@H+]1CC/C=C\CC 839199830 582728375 /nfs/dbraw/zinc/72/83/75/582728375.db2.gz YCNOIHUHCKCPEO-FJOGCWAESA-N 1 1 193.290 1.677 10 30 ADEEMO C#C[C@H]1COCC[N@@H+]1CC/C=C\CC 839199830 582728376 /nfs/dbraw/zinc/72/83/76/582728376.db2.gz YCNOIHUHCKCPEO-FJOGCWAESA-N 1 1 193.290 1.677 10 30 ADEEMO C=C(Cl)C[N@@H+]1C[C@@H]2C[C@H]1CS2 839201407 582728407 /nfs/dbraw/zinc/72/84/07/582728407.db2.gz KEEAQURSRXJWFM-YUMQZZPRSA-N 1 1 189.711 1.929 10 30 ADEEMO C=C(Cl)C[N@H+]1C[C@@H]2C[C@H]1CS2 839201407 582728409 /nfs/dbraw/zinc/72/84/09/582728409.db2.gz KEEAQURSRXJWFM-YUMQZZPRSA-N 1 1 189.711 1.929 10 30 ADEEMO C#C[C@H]1COCC[N@H+]1CCC(=C)C 839199294 582728585 /nfs/dbraw/zinc/72/85/85/582728585.db2.gz FBNHLPLNAYUQBB-NSHDSACASA-N 1 1 179.263 1.287 10 30 ADEEMO C#C[C@H]1COCC[N@@H+]1CCC(=C)C 839199294 582728586 /nfs/dbraw/zinc/72/85/86/582728586.db2.gz FBNHLPLNAYUQBB-NSHDSACASA-N 1 1 179.263 1.287 10 30 ADEEMO C#C[C@@H]1COCC[N@H+]1CC/C=C\CC 839199831 582728593 /nfs/dbraw/zinc/72/85/93/582728593.db2.gz YCNOIHUHCKCPEO-FOQNGQEVSA-N 1 1 193.290 1.677 10 30 ADEEMO C#C[C@@H]1COCC[N@@H+]1CC/C=C\CC 839199831 582728594 /nfs/dbraw/zinc/72/85/94/582728594.db2.gz YCNOIHUHCKCPEO-FOQNGQEVSA-N 1 1 193.290 1.677 10 30 ADEEMO C#CCC[N@H+]1C[C@@H]2C[C@H]1CS2 839201225 582728623 /nfs/dbraw/zinc/72/86/23/582728623.db2.gz GZEKWKVRHSDZTC-IUCAKERBSA-N 1 1 167.277 1.199 10 30 ADEEMO C#C[C@@H]1COCC[N@H+]1CCC(=C)C 839199292 582728648 /nfs/dbraw/zinc/72/86/48/582728648.db2.gz FBNHLPLNAYUQBB-LLVKDONJSA-N 1 1 179.263 1.287 10 30 ADEEMO C#C[C@@H]1COCC[N@@H+]1CCC(=C)C 839199292 582728651 /nfs/dbraw/zinc/72/86/51/582728651.db2.gz FBNHLPLNAYUQBB-LLVKDONJSA-N 1 1 179.263 1.287 10 30 ADEEMO C#C[C@@H]1COCC[N@H+]1CC1(C)CCC1 839199475 582728812 /nfs/dbraw/zinc/72/88/12/582728812.db2.gz NARQJGSWVOZKCW-LLVKDONJSA-N 1 1 193.290 1.511 10 30 ADEEMO C#C[C@@H]1COCC[N@@H+]1CC1(C)CCC1 839199475 582728813 /nfs/dbraw/zinc/72/88/13/582728813.db2.gz NARQJGSWVOZKCW-LLVKDONJSA-N 1 1 193.290 1.511 10 30 ADEEMO C#C[C@H]1COCC[N@H+]1CC1(C)CCC1 839199476 582728836 /nfs/dbraw/zinc/72/88/36/582728836.db2.gz NARQJGSWVOZKCW-NSHDSACASA-N 1 1 193.290 1.511 10 30 ADEEMO C#C[C@H]1COCC[N@@H+]1CC1(C)CCC1 839199476 582728838 /nfs/dbraw/zinc/72/88/38/582728838.db2.gz NARQJGSWVOZKCW-NSHDSACASA-N 1 1 193.290 1.511 10 30 ADEEMO C#CCCC[N@H+]1C[C@@H]2C[C@H]1CS2 839201948 582728931 /nfs/dbraw/zinc/72/89/31/582728931.db2.gz WPMFQPOCIRNKJE-UWVGGRQHSA-N 1 1 181.304 1.590 10 30 ADEEMO C#CC[NH+](CC#C)[C@H]1CC[C@H](C#N)C1 839500244 582729306 /nfs/dbraw/zinc/72/93/06/582729306.db2.gz DGMJSLSPGBRBJQ-RYUDHWBXSA-N 1 1 186.258 1.247 10 30 ADEEMO C#CC[NH+](CC#C)[C@@H]1CC[C@@H](C#N)C1 839500246 582729345 /nfs/dbraw/zinc/72/93/45/582729345.db2.gz DGMJSLSPGBRBJQ-VXGBXAGGSA-N 1 1 186.258 1.247 10 30 ADEEMO C#CC[NH+](CC#C)[C@H]1CC[C@@H](C#N)C1 839500241 582729530 /nfs/dbraw/zinc/72/95/30/582729530.db2.gz DGMJSLSPGBRBJQ-NEPJUHHUSA-N 1 1 186.258 1.247 10 30 ADEEMO C#CC[NH+](CC#C)[C@@H]1CC[C@H](C#N)C1 839500242 582729613 /nfs/dbraw/zinc/72/96/13/582729613.db2.gz DGMJSLSPGBRBJQ-NWDGAFQWSA-N 1 1 186.258 1.247 10 30 ADEEMO C#CC[NH+](CC#C)[C@@H](C)C#CCC 839501309 582730310 /nfs/dbraw/zinc/73/03/10/582730310.db2.gz VXNJFIFJFIWNTH-LBPRGKRZSA-N 1 1 173.259 1.357 10 30 ADEEMO C#CC[NH+](CC#C)[C@H](C)CCC#N 839501392 582730331 /nfs/dbraw/zinc/73/03/31/582730331.db2.gz XHVALVHCYBKRAV-LLVKDONJSA-N 1 1 174.247 1.247 10 30 ADEEMO C#CC[NH+](CC#C)[C@H](C)C#CCC 839501308 582730584 /nfs/dbraw/zinc/73/05/84/582730584.db2.gz VXNJFIFJFIWNTH-GFCCVEGCSA-N 1 1 173.259 1.357 10 30 ADEEMO C#CC[N@@H+](CC)CCc1cncs1 839502187 582730869 /nfs/dbraw/zinc/73/08/69/582730869.db2.gz CKUXBLQPNTVEFZ-UHFFFAOYSA-N 1 1 194.303 1.641 10 30 ADEEMO C#CC[NH+](CC#C)[C@@H](C)CCC#N 839501611 582731012 /nfs/dbraw/zinc/73/10/12/582731012.db2.gz XHVALVHCYBKRAV-NSHDSACASA-N 1 1 174.247 1.247 10 30 ADEEMO C#CC[N@@H+](CC#CC)C[C@@H]1CCCO1 741786994 582732553 /nfs/dbraw/zinc/73/25/53/582732553.db2.gz DJEQGGBJFYOOQU-LBPRGKRZSA-N 1 1 191.274 1.124 10 30 ADEEMO C#CC[N@H+](CC#CC)C[C@@H]1CCCO1 741786994 582732554 /nfs/dbraw/zinc/73/25/54/582732554.db2.gz DJEQGGBJFYOOQU-LBPRGKRZSA-N 1 1 191.274 1.124 10 30 ADEEMO C#CC[N@H+]1CCCC2(CCOCC2)C1 741801622 582733395 /nfs/dbraw/zinc/73/33/95/582733395.db2.gz FJDYYHCVBNDHFA-UHFFFAOYSA-N 1 1 193.290 1.512 10 30 ADEEMO C#CC[N@@H+](CC#CC)C[C@H]1CCCO1 741786993 582733541 /nfs/dbraw/zinc/73/35/41/582733541.db2.gz DJEQGGBJFYOOQU-GFCCVEGCSA-N 1 1 191.274 1.124 10 30 ADEEMO C#CC[N@H+](CC#CC)C[C@H]1CCCO1 741786993 582733543 /nfs/dbraw/zinc/73/35/43/582733543.db2.gz DJEQGGBJFYOOQU-GFCCVEGCSA-N 1 1 191.274 1.124 10 30 ADEEMO C#CC[C@H]1CC[N@H+](CC[C@H](C)O)C1 886364113 582737109 /nfs/dbraw/zinc/73/71/09/582737109.db2.gz OWUFCLPGFSMGOK-QWRGUYRKSA-N 1 1 181.279 1.103 10 30 ADEEMO C#CC[C@@H]1CC[N@H+](CC[C@H](C)O)C1 886364114 582737267 /nfs/dbraw/zinc/73/72/67/582737267.db2.gz OWUFCLPGFSMGOK-WDEREUQCSA-N 1 1 181.279 1.103 10 30 ADEEMO C(#Cc1ccccc1)C[N@@H+]1C[C@H]2C[C@H]2C1 886346399 582737313 /nfs/dbraw/zinc/73/73/13/582737313.db2.gz HRDLYRNWAXZPGW-OKILXGFUSA-N 1 1 197.281 1.990 10 30 ADEEMO C#CC[C@@H]1CC[N@H+](CC[C@@H](C)O)C1 886364111 582737353 /nfs/dbraw/zinc/73/73/53/582737353.db2.gz OWUFCLPGFSMGOK-GHMZBOCLSA-N 1 1 181.279 1.103 10 30 ADEEMO C#CC[C@H]1CC[N@H+](CC[C@@H](C)O)C1 886364112 582737394 /nfs/dbraw/zinc/73/73/94/582737394.db2.gz OWUFCLPGFSMGOK-MNOVXSKESA-N 1 1 181.279 1.103 10 30 ADEEMO C=C(CC)C[N@@H+]1C[C@H]2C[C@H]2C1 886346304 582737403 /nfs/dbraw/zinc/73/74/03/582737403.db2.gz FWSAHGXYUXDNMH-AOOOYVTPSA-N 1 1 151.253 1.904 10 30 ADEEMO C#CC[N@H+](CC#CC)CC=C 743852223 582738081 /nfs/dbraw/zinc/73/80/81/582738081.db2.gz FQMAWPWEKQUWHT-UHFFFAOYSA-N 1 1 147.221 1.131 10 30 ADEEMO C#CC[N@@H+](CC#CC)CC=C 743852223 582738082 /nfs/dbraw/zinc/73/80/82/582738082.db2.gz FQMAWPWEKQUWHT-UHFFFAOYSA-N 1 1 147.221 1.131 10 30 ADEEMO C#CC[N@H+](CC#CC)CCSC 743854953 582738300 /nfs/dbraw/zinc/73/83/00/582738300.db2.gz VGHQAXVGZWRIMG-UHFFFAOYSA-N 1 1 181.304 1.308 10 30 ADEEMO C#CC[N@@H+](CC#CC)CCSC 743854953 582738301 /nfs/dbraw/zinc/73/83/01/582738301.db2.gz VGHQAXVGZWRIMG-UHFFFAOYSA-N 1 1 181.304 1.308 10 30 ADEEMO C#CC[N@@H+](CC#CC)CCCCOC 743852237 582738310 /nfs/dbraw/zinc/73/83/10/582738310.db2.gz GSJYXXDIKWKFBF-UHFFFAOYSA-N 1 1 193.290 1.372 10 30 ADEEMO C#CC[N@H+](CC#CC)CCSCC 743852119 582738316 /nfs/dbraw/zinc/73/83/16/582738316.db2.gz AMFOQHOMKHHTPN-UHFFFAOYSA-N 1 1 195.331 1.698 10 30 ADEEMO C#CC[N@@H+](CC#CC)CCSCC 743852119 582738317 /nfs/dbraw/zinc/73/83/17/582738317.db2.gz AMFOQHOMKHHTPN-UHFFFAOYSA-N 1 1 195.331 1.698 10 30 ADEEMO C#CC[N@@H+](CC#CC)CCC 743852224 582738348 /nfs/dbraw/zinc/73/83/48/582738348.db2.gz FSKCKBAWIPNJPZ-UHFFFAOYSA-N 1 1 149.237 1.355 10 30 ADEEMO C#CC[N@H+](CC#CC)CC(C)C 743852123 582738619 /nfs/dbraw/zinc/73/86/19/582738619.db2.gz ANWDRLJBDWOPCQ-UHFFFAOYSA-N 1 1 163.264 1.601 10 30 ADEEMO CC#CCOC(=O)[C@H]1CCCC[N@@H+]1C 745080451 582743096 /nfs/dbraw/zinc/74/30/96/582743096.db2.gz AWBRAONLQAWZNM-SNVBAGLBSA-N 1 1 195.262 1.037 10 30 ADEEMO CC#CCOC(=O)[C@H]1CCCC[N@H+]1C 745080451 582743097 /nfs/dbraw/zinc/74/30/97/582743097.db2.gz AWBRAONLQAWZNM-SNVBAGLBSA-N 1 1 195.262 1.037 10 30 ADEEMO CC#CCOC(=O)[C@@H]1CCCC[N@@H+]1C 745080450 582743344 /nfs/dbraw/zinc/74/33/44/582743344.db2.gz AWBRAONLQAWZNM-JTQLQIEISA-N 1 1 195.262 1.037 10 30 ADEEMO CC#CCOC(=O)[C@@H]1CCCC[N@H+]1C 745080450 582743345 /nfs/dbraw/zinc/74/33/45/582743345.db2.gz AWBRAONLQAWZNM-JTQLQIEISA-N 1 1 195.262 1.037 10 30 ADEEMO C=C(C)COC(=O)[C@H]1CCCC[N@H+]1C 745078072 582743350 /nfs/dbraw/zinc/74/33/50/582743350.db2.gz AEEYRXYIMVMCJG-SNVBAGLBSA-N 1 1 197.278 1.590 10 30 ADEEMO C=C(C)COC(=O)[C@H]1CCCC[N@@H+]1C 745078072 582743351 /nfs/dbraw/zinc/74/33/51/582743351.db2.gz AEEYRXYIMVMCJG-SNVBAGLBSA-N 1 1 197.278 1.590 10 30 ADEEMO C=CCCOC(=O)[C@H]1CCCC[N@H+]1C 745078488 582743471 /nfs/dbraw/zinc/74/34/71/582743471.db2.gz GCUXADBTMUDEHR-SNVBAGLBSA-N 1 1 197.278 1.590 10 30 ADEEMO C=CCCOC(=O)[C@H]1CCCC[N@@H+]1C 745078488 582743475 /nfs/dbraw/zinc/74/34/75/582743475.db2.gz GCUXADBTMUDEHR-SNVBAGLBSA-N 1 1 197.278 1.590 10 30 ADEEMO C=CCCOC(=O)[C@@H]1CCCC[N@H+]1C 745078487 582743612 /nfs/dbraw/zinc/74/36/12/582743612.db2.gz GCUXADBTMUDEHR-JTQLQIEISA-N 1 1 197.278 1.590 10 30 ADEEMO C=CCCOC(=O)[C@@H]1CCCC[N@@H+]1C 745078487 582743614 /nfs/dbraw/zinc/74/36/14/582743614.db2.gz GCUXADBTMUDEHR-JTQLQIEISA-N 1 1 197.278 1.590 10 30 ADEEMO C=C(C)COC(=O)[C@@H]1CCCC[N@H+]1C 745078059 582743931 /nfs/dbraw/zinc/74/39/31/582743931.db2.gz AEEYRXYIMVMCJG-JTQLQIEISA-N 1 1 197.278 1.590 10 30 ADEEMO C=C(C)COC(=O)[C@@H]1CCCC[N@@H+]1C 745078059 582743934 /nfs/dbraw/zinc/74/39/34/582743934.db2.gz AEEYRXYIMVMCJG-JTQLQIEISA-N 1 1 197.278 1.590 10 30 ADEEMO C#CC[N@H+](CC)CCCC(=O)OCC 746457546 582747517 /nfs/dbraw/zinc/74/75/17/582747517.db2.gz HNHISCLXXLDMPP-UHFFFAOYSA-N 1 1 197.278 1.285 10 30 ADEEMO C#CC[N@H+]1CCC[C@@]2(CCCOC2)C1 747533518 582749393 /nfs/dbraw/zinc/74/93/93/582749393.db2.gz ZRORSYBMLJSKPN-GFCCVEGCSA-N 1 1 193.290 1.512 10 30 ADEEMO C#CC[N@H+]1CCC[C@]2(CCCOC2)C1 747533520 582749505 /nfs/dbraw/zinc/74/95/05/582749505.db2.gz ZRORSYBMLJSKPN-LBPRGKRZSA-N 1 1 193.290 1.512 10 30 ADEEMO C#CC[N@H+](CCC(C)=O)C1CCCC1 747655959 582750007 /nfs/dbraw/zinc/75/00/07/582750007.db2.gz GVCGDEOJTOEFPN-UHFFFAOYSA-N 1 1 193.290 1.843 10 30 ADEEMO C#CCN1CC[C@H](C[N@H+](C)CCC)C1 747960439 582750667 /nfs/dbraw/zinc/75/06/67/582750667.db2.gz GCFSWLZYZIPQFN-GFCCVEGCSA-N 1 1 194.322 1.283 10 30 ADEEMO C#CCN1CC[C@@H](C[N@H+](C)CCC)C1 747960440 582751508 /nfs/dbraw/zinc/75/15/08/582751508.db2.gz GCFSWLZYZIPQFN-LBPRGKRZSA-N 1 1 194.322 1.283 10 30 ADEEMO CC#CC[N@H+](C)C[C@@H](C)COC 748836525 582752870 /nfs/dbraw/zinc/75/28/70/582752870.db2.gz VLCLNEZJJMZNHV-SNVBAGLBSA-N 1 1 169.268 1.224 10 30 ADEEMO CC#CC[N@H+](C)C[C@H](C)COC 748836511 582752989 /nfs/dbraw/zinc/75/29/89/582752989.db2.gz VLCLNEZJJMZNHV-JTQLQIEISA-N 1 1 169.268 1.224 10 30 ADEEMO C#CC[N@@H+](CC)CCn1cc(C)cn1 749154674 582754177 /nfs/dbraw/zinc/75/41/77/582754177.db2.gz GXWOGAYBRGKUKC-UHFFFAOYSA-N 1 1 191.278 1.147 10 30 ADEEMO C#CC[N@@H+](CC)Cc1ccnc(C#N)c1 749522626 582755312 /nfs/dbraw/zinc/75/53/12/582755312.db2.gz DMJLBDAZCDQCDQ-UHFFFAOYSA-N 1 1 199.257 1.408 10 30 ADEEMO C#CC[N@H+](CC)Cc1ccnc(C#N)c1 749522626 582755315 /nfs/dbraw/zinc/75/53/15/582755315.db2.gz DMJLBDAZCDQCDQ-UHFFFAOYSA-N 1 1 199.257 1.408 10 30 ADEEMO C#CCN(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C 750826810 582758942 /nfs/dbraw/zinc/75/89/42/582758942.db2.gz PRRQOTIUJDBACI-NWDGAFQWSA-N 1 1 194.322 1.282 10 30 ADEEMO C#CC[N@@H+](C)[C@@H]1CCN(CC)C[C@@H]1C 750826810 582758963 /nfs/dbraw/zinc/75/89/63/582758963.db2.gz PRRQOTIUJDBACI-NWDGAFQWSA-N 1 1 194.322 1.282 10 30 ADEEMO C#CC[N@H+](C)[C@@H]1CCN(CC)C[C@@H]1C 750826810 582758967 /nfs/dbraw/zinc/75/89/67/582758967.db2.gz PRRQOTIUJDBACI-NWDGAFQWSA-N 1 1 194.322 1.282 10 30 ADEEMO C#CCN(C)[C@H]1CC[N@H+](CC)C[C@H]1C 750826806 582759109 /nfs/dbraw/zinc/75/91/09/582759109.db2.gz PRRQOTIUJDBACI-NEPJUHHUSA-N 1 1 194.322 1.282 10 30 ADEEMO C#CC[N@@H+](C)[C@H]1CCN(CC)C[C@H]1C 750826806 582759118 /nfs/dbraw/zinc/75/91/18/582759118.db2.gz PRRQOTIUJDBACI-NEPJUHHUSA-N 1 1 194.322 1.282 10 30 ADEEMO C#CC[N@H+](C)[C@H]1CCN(CC)C[C@H]1C 750826806 582759120 /nfs/dbraw/zinc/75/91/20/582759120.db2.gz PRRQOTIUJDBACI-NEPJUHHUSA-N 1 1 194.322 1.282 10 30 ADEEMO C#CCN(C)[C@H]1CC[N@H+](CC)C[C@@H]1C 750826811 582759197 /nfs/dbraw/zinc/75/91/97/582759197.db2.gz PRRQOTIUJDBACI-RYUDHWBXSA-N 1 1 194.322 1.282 10 30 ADEEMO C#CC[N@@H+](C)[C@H]1CCN(CC)C[C@@H]1C 750826811 582759208 /nfs/dbraw/zinc/75/92/08/582759208.db2.gz PRRQOTIUJDBACI-RYUDHWBXSA-N 1 1 194.322 1.282 10 30 ADEEMO C#CC[N@H+](C)[C@H]1CCN(CC)C[C@@H]1C 750826811 582759211 /nfs/dbraw/zinc/75/92/11/582759211.db2.gz PRRQOTIUJDBACI-RYUDHWBXSA-N 1 1 194.322 1.282 10 30 ADEEMO C#CCN(C)[C@@H]1CC[N@H+](CC)C[C@H]1C 750826812 582759645 /nfs/dbraw/zinc/75/96/45/582759645.db2.gz PRRQOTIUJDBACI-VXGBXAGGSA-N 1 1 194.322 1.282 10 30 ADEEMO C#CC[N@@H+](C)[C@@H]1CCN(CC)C[C@H]1C 750826812 582759659 /nfs/dbraw/zinc/75/96/59/582759659.db2.gz PRRQOTIUJDBACI-VXGBXAGGSA-N 1 1 194.322 1.282 10 30 ADEEMO C#CC[N@H+](C)[C@@H]1CCN(CC)C[C@H]1C 750826812 582759662 /nfs/dbraw/zinc/75/96/62/582759662.db2.gz PRRQOTIUJDBACI-VXGBXAGGSA-N 1 1 194.322 1.282 10 30 ADEEMO C#CC[NH+](CC#C)C[C@H]1CCCCO1 752076589 582767163 /nfs/dbraw/zinc/76/71/63/582767163.db2.gz IHXUMDVNWBAHAR-GFCCVEGCSA-N 1 1 191.274 1.124 10 30 ADEEMO C#CC[NH+](CC#C)CCc1ccccn1 752076588 582767222 /nfs/dbraw/zinc/76/72/22/582767222.db2.gz ICHYNZHKQGFGTH-UHFFFAOYSA-N 1 1 198.269 1.193 10 30 ADEEMO C#CC[NH+](CC#C)C[C@@H]1CCCCO1 752076591 582767281 /nfs/dbraw/zinc/76/72/81/582767281.db2.gz IHXUMDVNWBAHAR-LBPRGKRZSA-N 1 1 191.274 1.124 10 30 ADEEMO C#CC[NH+](CC#C)CCc1ccncc1 752074865 582767474 /nfs/dbraw/zinc/76/74/74/582767474.db2.gz DYUWGIAMTRJYOY-UHFFFAOYSA-N 1 1 198.269 1.193 10 30 ADEEMO C#CC[NH+](CC#C)CCOCCCC 752075479 582767849 /nfs/dbraw/zinc/76/78/49/582767849.db2.gz LVYVUZOPTOOJMY-UHFFFAOYSA-N 1 1 193.290 1.372 10 30 ADEEMO C#CC[NH+](CC#C)CCOC(C)(C)C 752076452 582767951 /nfs/dbraw/zinc/76/79/51/582767951.db2.gz BFEASZVSEHMVSJ-UHFFFAOYSA-N 1 1 193.290 1.370 10 30 ADEEMO C#CC[NH+](CC#C)CCc1cccnc1 752302654 582769294 /nfs/dbraw/zinc/76/92/94/582769294.db2.gz OCAAENMSUZBJLT-UHFFFAOYSA-N 1 1 198.269 1.193 10 30 ADEEMO C#CCC[N@@H+](C[C@@H]1CCOC1)C1CC1 752854053 582771166 /nfs/dbraw/zinc/77/11/66/582771166.db2.gz FURUCWYANNUEGE-NSHDSACASA-N 1 1 193.290 1.511 10 30 ADEEMO C#CCC[N@@H+](C[C@H]1CCOC1)C1CC1 752854051 582771345 /nfs/dbraw/zinc/77/13/45/582771345.db2.gz FURUCWYANNUEGE-LLVKDONJSA-N 1 1 193.290 1.511 10 30 ADEEMO C#CC[N@@H+](CC)CCC(=O)C(C)(C)C 753734476 582774794 /nfs/dbraw/zinc/77/47/94/582774794.db2.gz YSFSAEPQBMGBPY-UHFFFAOYSA-N 1 1 195.306 1.947 10 30 ADEEMO C=CC[N@H+](CCOC)CCC(=O)CC 753768623 582776433 /nfs/dbraw/zinc/77/64/33/582776433.db2.gz AGJOYGBIWQFCOM-UHFFFAOYSA-N 1 1 199.294 1.490 10 30 ADEEMO C=C(C)C[N@H+](CC)CCN1CCCC1 755201753 582785769 /nfs/dbraw/zinc/78/57/69/582785769.db2.gz IFCWFEVPMZIQMU-UHFFFAOYSA-N 1 1 196.338 1.980 10 30 ADEEMO C=C(C)C[N@@H+](CC)CCN1CCCC1 755201753 582785772 /nfs/dbraw/zinc/78/57/72/582785772.db2.gz IFCWFEVPMZIQMU-UHFFFAOYSA-N 1 1 196.338 1.980 10 30 ADEEMO CCC[C@H](C)C=NN1CC[NH+](C)CC1 755465356 582786469 /nfs/dbraw/zinc/78/64/69/582786469.db2.gz HOVZMCRZXTVPFQ-NSHDSACASA-N 1 1 197.326 1.656 10 30 ADEEMO CCC[C@@H](C)C=NN1CC[NH+](C)CC1 755465338 582787144 /nfs/dbraw/zinc/78/71/44/582787144.db2.gz HOVZMCRZXTVPFQ-LLVKDONJSA-N 1 1 197.326 1.656 10 30 ADEEMO C#CC[N@@H+](CC#CC)C[C@@H](C)CC 755961211 582790784 /nfs/dbraw/zinc/79/07/84/582790784.db2.gz HFDUIPJVWDEBFN-LBPRGKRZSA-N 1 1 177.291 1.991 10 30 ADEEMO C#CC[N@@H+](CC#CC)C[C@H](C)CC 755961141 582790808 /nfs/dbraw/zinc/79/08/08/582790808.db2.gz HFDUIPJVWDEBFN-GFCCVEGCSA-N 1 1 177.291 1.991 10 30 ADEEMO C=C(Cl)C[N@H+]1CC[C@@H]2C[C@@H]21 839532317 582792192 /nfs/dbraw/zinc/79/21/92/582792192.db2.gz AKGKZQQELSSVJY-SFYZADRCSA-N 1 1 157.644 1.833 10 30 ADEEMO C=C(Cl)C[N@H+]1CC[C@H]2C[C@H]21 839532316 582792575 /nfs/dbraw/zinc/79/25/75/582792575.db2.gz AKGKZQQELSSVJY-JGVFFNPUSA-N 1 1 157.644 1.833 10 30 ADEEMO C#CC[N@H+](CCCOC)C1CCCC1 756911528 582792890 /nfs/dbraw/zinc/79/28/90/582792890.db2.gz MWJSLBZNTLHNPD-UHFFFAOYSA-N 1 1 195.306 1.901 10 30 ADEEMO C#CC[N@H+](CCCO)C1CCCC1 756911825 582793472 /nfs/dbraw/zinc/79/34/72/582793472.db2.gz HRSWHMFZHOOUAN-UHFFFAOYSA-N 1 1 181.279 1.247 10 30 ADEEMO C#CC[N@H+](CCOCC)C1CCCC1 756911899 582793511 /nfs/dbraw/zinc/79/35/11/582793511.db2.gz ZDWFNMBLPXEJJY-UHFFFAOYSA-N 1 1 195.306 1.901 10 30 ADEEMO C#CC[N@H+](CC#CC)C1CCCC1 756910825 582793593 /nfs/dbraw/zinc/79/35/93/582793593.db2.gz BYTTZEXKBFKYQG-UHFFFAOYSA-N 1 1 175.275 1.888 10 30 ADEEMO C#CC[N@H+](CCCCO)C1CCCC1 756911686 582793707 /nfs/dbraw/zinc/79/37/07/582793707.db2.gz BNMHVFRAZNTVBY-UHFFFAOYSA-N 1 1 195.306 1.637 10 30 ADEEMO CC(CC1CC1)=NN1CC[NH+](C)CC1 756814767 582793764 /nfs/dbraw/zinc/79/37/64/582793764.db2.gz DAVPXIKFINZPDS-UHFFFAOYSA-N 1 1 195.310 1.410 10 30 ADEEMO C=C(Cl)CN1CC[N@H+](C)[C@H](C)C1 839532907 582794262 /nfs/dbraw/zinc/79/42/62/582794262.db2.gz DQCCHUBUCYRBDI-SECBINFHSA-N 1 1 188.702 1.375 10 30 ADEEMO C=C(Cl)CN1CC[N@@H+](C)[C@H](C)C1 839532907 582794266 /nfs/dbraw/zinc/79/42/66/582794266.db2.gz DQCCHUBUCYRBDI-SECBINFHSA-N 1 1 188.702 1.375 10 30 ADEEMO C=C(Cl)CN1CC[N@H+](C)[C@@H](C)C1 839532925 582794576 /nfs/dbraw/zinc/79/45/76/582794576.db2.gz DQCCHUBUCYRBDI-VIFPVBQESA-N 1 1 188.702 1.375 10 30 ADEEMO C=C(Cl)CN1CC[N@@H+](C)[C@@H](C)C1 839532925 582794577 /nfs/dbraw/zinc/79/45/77/582794577.db2.gz DQCCHUBUCYRBDI-VIFPVBQESA-N 1 1 188.702 1.375 10 30 ADEEMO C#CC[N@@H+]1CCO[C@H](C2CCC2)C1 839623373 582794996 /nfs/dbraw/zinc/79/49/96/582794996.db2.gz JBEKGZCMXDFCPR-NSHDSACASA-N 1 1 179.263 1.121 10 30 ADEEMO C#CC[N@H+]1CCO[C@H](C2CCC2)C1 839623373 582795000 /nfs/dbraw/zinc/79/50/00/582795000.db2.gz JBEKGZCMXDFCPR-NSHDSACASA-N 1 1 179.263 1.121 10 30 ADEEMO C#CC(C)(C)[N@@H+](C)CCCCO 839580347 582795007 /nfs/dbraw/zinc/79/50/07/582795007.db2.gz GCVPSOHCKODEFX-UHFFFAOYSA-N 1 1 169.268 1.103 10 30 ADEEMO C#CC[N@@H+]1CCO[C@@H](C2CCC2)C1 839623372 582795033 /nfs/dbraw/zinc/79/50/33/582795033.db2.gz JBEKGZCMXDFCPR-LLVKDONJSA-N 1 1 179.263 1.121 10 30 ADEEMO C#CC[N@H+]1CCO[C@@H](C2CCC2)C1 839623372 582795035 /nfs/dbraw/zinc/79/50/35/582795035.db2.gz JBEKGZCMXDFCPR-LLVKDONJSA-N 1 1 179.263 1.121 10 30 ADEEMO C#CC[N@@H+](C)Cc1ccc(CC)cn1 839577712 582795132 /nfs/dbraw/zinc/79/51/32/582795132.db2.gz HRKYDYMFIIPTAJ-UHFFFAOYSA-N 1 1 188.274 1.709 10 30 ADEEMO C#CC[N@H+](C)Cc1ccc(CC)cn1 839577712 582795133 /nfs/dbraw/zinc/79/51/33/582795133.db2.gz HRKYDYMFIIPTAJ-UHFFFAOYSA-N 1 1 188.274 1.709 10 30 ADEEMO C#CCC[N@H+]1CCO[C@H](C2CCC2)C1 839625164 582795187 /nfs/dbraw/zinc/79/51/87/582795187.db2.gz KJBBHKCXAIQTLU-LBPRGKRZSA-N 1 1 193.290 1.511 10 30 ADEEMO C#CCC[N@H+]1CCO[C@@H](C2CCC2)C1 839625161 582795420 /nfs/dbraw/zinc/79/54/20/582795420.db2.gz KJBBHKCXAIQTLU-GFCCVEGCSA-N 1 1 193.290 1.511 10 30 ADEEMO C#CC[N@@H+](C)CCc1cncs1 839577661 582795443 /nfs/dbraw/zinc/79/54/43/582795443.db2.gz GZWAMOVCSNTXIW-UHFFFAOYSA-N 1 1 180.276 1.251 10 30 ADEEMO C#CC[N@H+](C[C@H](O)CC)C1CCCC1 757419248 582796476 /nfs/dbraw/zinc/79/64/76/582796476.db2.gz PSWVQSPTVDWDMS-GFCCVEGCSA-N 1 1 195.306 1.635 10 30 ADEEMO C#CC[N@H+](C[C@@H](O)CC)C1CCCC1 757419251 582796547 /nfs/dbraw/zinc/79/65/47/582796547.db2.gz PSWVQSPTVDWDMS-LBPRGKRZSA-N 1 1 195.306 1.635 10 30 ADEEMO C=CC[N@H+](Cc1cncnc1)C1CC1 757923460 582797601 /nfs/dbraw/zinc/79/76/01/582797601.db2.gz MMKOWYMBJAVDHS-UHFFFAOYSA-N 1 1 189.262 1.627 10 30 ADEEMO C=CC[N@@H+](Cc1cncnc1)C1CC1 757923460 582797603 /nfs/dbraw/zinc/79/76/03/582797603.db2.gz MMKOWYMBJAVDHS-UHFFFAOYSA-N 1 1 189.262 1.627 10 30 ADEEMO C#CC[N@@H+](C)CCC1CCOCC1 757838218 582797699 /nfs/dbraw/zinc/79/76/99/582797699.db2.gz CWKUGBYSNDNSHV-UHFFFAOYSA-N 1 1 181.279 1.368 10 30 ADEEMO C#CCCC[N@H+]1[C@@H](C)C[C@H](O)C[C@H]1C 759492692 582803794 /nfs/dbraw/zinc/80/37/94/582803794.db2.gz VTUSXSXXECHMDX-ZSBIGDGJSA-N 1 1 195.306 1.634 10 30 ADEEMO C#CC[N@H+](C)C[C@@H](O)CCCCCC 759556482 582803900 /nfs/dbraw/zinc/80/39/00/582803900.db2.gz IXNKOIVDQOBVNJ-LBPRGKRZSA-N 1 1 197.322 1.883 10 30 ADEEMO C#CCC[N@H+]1CCOCC2(CCC2)C1 759914006 582806075 /nfs/dbraw/zinc/80/60/75/582806075.db2.gz BAWZFYSYXHUIPD-UHFFFAOYSA-N 1 1 193.290 1.512 10 30 ADEEMO C#CCC[N@H+](C(C)C)C1CCOCC1 760863277 582808054 /nfs/dbraw/zinc/80/80/54/582808054.db2.gz QZNAWVJABWAPID-UHFFFAOYSA-N 1 1 195.306 1.899 10 30 ADEEMO N#CCC[C@H](C#N)C[N@@H+]1CC[C@@H]2C[C@@H]21 761095070 582810087 /nfs/dbraw/zinc/81/00/87/582810087.db2.gz OOYRAZHYLNXKRU-MXWKQRLJSA-N 1 1 189.262 1.524 10 30 ADEEMO N#CCC[C@H](C#N)C[N@H+]1CC[C@@H]2C[C@@H]21 761095070 582810090 /nfs/dbraw/zinc/81/00/90/582810090.db2.gz OOYRAZHYLNXKRU-MXWKQRLJSA-N 1 1 189.262 1.524 10 30 ADEEMO N#CCC[C@H](C#N)C[N@@H+]1CC[C@H]2C[C@H]21 761095071 582810165 /nfs/dbraw/zinc/81/01/65/582810165.db2.gz OOYRAZHYLNXKRU-OUAUKWLOSA-N 1 1 189.262 1.524 10 30 ADEEMO N#CCC[C@H](C#N)C[N@H+]1CC[C@H]2C[C@H]21 761095071 582810168 /nfs/dbraw/zinc/81/01/68/582810168.db2.gz OOYRAZHYLNXKRU-OUAUKWLOSA-N 1 1 189.262 1.524 10 30 ADEEMO N#CCSCCC[N@H+]1CC[C@H]2C[C@H]21 761087345 582810498 /nfs/dbraw/zinc/81/04/98/582810498.db2.gz CGGHPFIMOSWMFA-VHSXEESVSA-N 1 1 196.319 1.727 10 30 ADEEMO N#CCSCCC[N@H+]1CC[C@@H]2C[C@@H]21 761087351 582810593 /nfs/dbraw/zinc/81/05/93/582810593.db2.gz CGGHPFIMOSWMFA-ZJUUUORDSA-N 1 1 196.319 1.727 10 30 ADEEMO C=CC[N@H+](Cc1cn(C)nn1)C(C)C 761655342 582813790 /nfs/dbraw/zinc/81/37/90/582813790.db2.gz AYKCZWKXUUMHAH-UHFFFAOYSA-N 1 1 194.282 1.212 10 30 ADEEMO C=CC[N@@H+](Cc1cn(C)nn1)C(C)C 761655342 582813791 /nfs/dbraw/zinc/81/37/91/582813791.db2.gz AYKCZWKXUUMHAH-UHFFFAOYSA-N 1 1 194.282 1.212 10 30 ADEEMO C#CC[N@H+](CC#CC)CC1CC1 763409542 582818629 /nfs/dbraw/zinc/81/86/29/582818629.db2.gz GDJQQYSUBYJEQV-UHFFFAOYSA-N 1 1 161.248 1.355 10 30 ADEEMO C=CC[N@H+](C)C[C@@H]1CC2(CC2)C(=O)O1 763776669 582819368 /nfs/dbraw/zinc/81/93/68/582819368.db2.gz ASOXPOJLPLTIBA-VIFPVBQESA-N 1 1 195.262 1.200 10 30 ADEEMO C=CC[N@H+](C)C[C@H]1CC2(CC2)C(=O)O1 763776667 582819655 /nfs/dbraw/zinc/81/96/55/582819655.db2.gz ASOXPOJLPLTIBA-SECBINFHSA-N 1 1 195.262 1.200 10 30 ADEEMO C#CC[N@@H+](C[C@H]1CCCOC1)C1CC1 763948616 582820040 /nfs/dbraw/zinc/82/00/40/582820040.db2.gz BUMGCIQPPSVXEM-LLVKDONJSA-N 1 1 193.290 1.511 10 30 ADEEMO C#CC[N@H+](CCC(=O)C1CC1)C1CC1 763948589 582820161 /nfs/dbraw/zinc/82/01/61/582820161.db2.gz AJUMGLLMAQKMPJ-UHFFFAOYSA-N 1 1 191.274 1.453 10 30 ADEEMO C#CC[N@@H+](C[C@@H]1CCCOC1)C1CC1 763948617 582820443 /nfs/dbraw/zinc/82/04/43/582820443.db2.gz BUMGCIQPPSVXEM-NSHDSACASA-N 1 1 193.290 1.511 10 30 ADEEMO C#CC[N@@H+](CC1CCOCC1)C1CC1 763955147 582821334 /nfs/dbraw/zinc/82/13/34/582821334.db2.gz IDBUYDJPRFUPDK-UHFFFAOYSA-N 1 1 193.290 1.511 10 30 ADEEMO C#CC[N@H+](CCOCCCC)C1CC1 763955512 582821344 /nfs/dbraw/zinc/82/13/44/582821344.db2.gz BXSIPKVZNTVNOO-UHFFFAOYSA-N 1 1 195.306 1.901 10 30 ADEEMO C#CC[N@H+](CCCC(=O)OC)C1CC1 763949522 582821502 /nfs/dbraw/zinc/82/15/02/582821502.db2.gz DITIHFHSGAOQQC-UHFFFAOYSA-N 1 1 195.262 1.037 10 30 ADEEMO C#CC[N@H+](CCCOC(C)C)C1CC1 763959327 582821693 /nfs/dbraw/zinc/82/16/93/582821693.db2.gz FIUBFQRMSBLQAB-UHFFFAOYSA-N 1 1 195.306 1.899 10 30 ADEEMO C#CCC[N@H+](C)Cc1c(C)noc1C 764230207 582822148 /nfs/dbraw/zinc/82/21/48/582822148.db2.gz FXIOWCLRUJWZHX-UHFFFAOYSA-N 1 1 192.262 1.747 10 30 ADEEMO C#CC[N@H+](Cc1ccn(C)c1)C1CC1 764680860 582824128 /nfs/dbraw/zinc/82/41/28/582824128.db2.gz CCMZQNIWISTUDM-UHFFFAOYSA-N 1 1 188.274 1.623 10 30 ADEEMO C#CC[N@@H+](Cc1cccn1C)C1CC1 764676170 582824241 /nfs/dbraw/zinc/82/42/41/582824241.db2.gz FUFMCNLGSNJBNI-UHFFFAOYSA-N 1 1 188.274 1.623 10 30 ADEEMO C#CC[N@H+](Cc1cccn1C)C1CC1 764676170 582824244 /nfs/dbraw/zinc/82/42/44/582824244.db2.gz FUFMCNLGSNJBNI-UHFFFAOYSA-N 1 1 188.274 1.623 10 30 ADEEMO C#CC[N@H+](CC#CC)CCC#CC 764959531 582824966 /nfs/dbraw/zinc/82/49/66/582824966.db2.gz GUZJXHSNHYFPEB-UHFFFAOYSA-N 1 1 173.259 1.358 10 30 ADEEMO C#CC[N@@H+](CC#CC)CCC#CC 764959531 582824969 /nfs/dbraw/zinc/82/49/69/582824969.db2.gz GUZJXHSNHYFPEB-UHFFFAOYSA-N 1 1 173.259 1.358 10 30 ADEEMO C[NH+]1CCN(N=CC2(C)CCC2)CC1 765993589 582826262 /nfs/dbraw/zinc/82/62/62/582826262.db2.gz XURVLTSDNVHVDE-UHFFFAOYSA-N 1 1 195.310 1.410 10 30 ADEEMO C#CC[N@@H+](CC)CCn1ccnc1C 766245691 582827582 /nfs/dbraw/zinc/82/75/82/582827582.db2.gz CATMHVJSFPQDEA-UHFFFAOYSA-N 1 1 191.278 1.147 10 30 ADEEMO C#CCCC[N@H+](CC)C[C@@H]1CCOC1 766894960 582828968 /nfs/dbraw/zinc/82/89/68/582828968.db2.gz HNNDVCSTNUHIHK-LBPRGKRZSA-N 1 1 195.306 1.758 10 30 ADEEMO C#CCCC[N@H+](CC)C[C@H]1CCOC1 766894957 582829281 /nfs/dbraw/zinc/82/92/81/582829281.db2.gz HNNDVCSTNUHIHK-GFCCVEGCSA-N 1 1 195.306 1.758 10 30 ADEEMO C#CC[N@@H+](CC)Cc1ccnc(C)n1 796441931 582924951 /nfs/dbraw/zinc/92/49/51/582924951.db2.gz LLKHTBITDMLXRO-UHFFFAOYSA-N 1 1 189.262 1.240 10 30 ADEEMO C#CC[N@H+](CC)Cc1ccnc(C)n1 796441931 582924956 /nfs/dbraw/zinc/92/49/56/582924956.db2.gz LLKHTBITDMLXRO-UHFFFAOYSA-N 1 1 189.262 1.240 10 30 ADEEMO C#CC[N@@H+]1CCCC[C@@H](CCOC)C1 767940737 582833042 /nfs/dbraw/zinc/83/30/42/582833042.db2.gz HRHWGWJORZHTKS-LBPRGKRZSA-N 1 1 195.306 1.758 10 30 ADEEMO C#CC[N@@H+]1CCCC[C@H](CCOC)C1 767940734 582833237 /nfs/dbraw/zinc/83/32/37/582833237.db2.gz HRHWGWJORZHTKS-GFCCVEGCSA-N 1 1 195.306 1.758 10 30 ADEEMO C=C(C)C[N@H+](CC)Cc1cncnc1 768140848 582835088 /nfs/dbraw/zinc/83/50/88/582835088.db2.gz XKZCSRPLHSYGTC-UHFFFAOYSA-N 1 1 191.278 1.875 10 30 ADEEMO C=CC[NH+](CC=C)Cc1cncnc1 768136744 582835172 /nfs/dbraw/zinc/83/51/72/582835172.db2.gz FWXYGEJXKWAITG-UHFFFAOYSA-N 1 1 189.262 1.651 10 30 ADEEMO C#CCCC[N@@H+]1C[C@@H](C)N(C)C[C@H]1C 768767873 582835451 /nfs/dbraw/zinc/83/54/51/582835451.db2.gz BQQKPMFEDAUVJG-VXGBXAGGSA-N 1 1 194.322 1.424 10 30 ADEEMO C=CC[N@@H+](Cc1cncnc1)C(C)C 768547860 582835819 /nfs/dbraw/zinc/83/58/19/582835819.db2.gz SKMGGMVOXHMMIJ-UHFFFAOYSA-N 1 1 191.278 1.873 10 30 ADEEMO C#CCCC[N@@H+]1C[C@@H](C)N(C)C[C@@H]1C 768767866 582835843 /nfs/dbraw/zinc/83/58/43/582835843.db2.gz BQQKPMFEDAUVJG-NEPJUHHUSA-N 1 1 194.322 1.424 10 30 ADEEMO C#CCCC[N@@H+]1C[C@H](C)N(C)C[C@H]1C 768767869 582835857 /nfs/dbraw/zinc/83/58/57/582835857.db2.gz BQQKPMFEDAUVJG-NWDGAFQWSA-N 1 1 194.322 1.424 10 30 ADEEMO C=CC[N@H+](Cc1ccn(C)n1)C(C)C 768546960 582835895 /nfs/dbraw/zinc/83/58/95/582835895.db2.gz GAPUNDACNABBIF-UHFFFAOYSA-N 1 1 193.294 1.817 10 30 ADEEMO C=CC[N@@H+](Cc1ccn(C)n1)C(C)C 768546960 582835896 /nfs/dbraw/zinc/83/58/96/582835896.db2.gz GAPUNDACNABBIF-UHFFFAOYSA-N 1 1 193.294 1.817 10 30 ADEEMO C#CCCC[N@@H+]1C[C@H](C)N(C)C[C@@H]1C 768767871 582836000 /nfs/dbraw/zinc/83/60/00/582836000.db2.gz BQQKPMFEDAUVJG-RYUDHWBXSA-N 1 1 194.322 1.424 10 30 ADEEMO C#CC[NH+](CC#C)Cc1ccn(C)c1 769441007 582839365 /nfs/dbraw/zinc/83/93/65/582839365.db2.gz FFGKAIXVBLWUAU-UHFFFAOYSA-N 1 1 186.258 1.094 10 30 ADEEMO C#CC[N@@H+](CC)Cc1ccc(C#N)o1 769106666 582837517 /nfs/dbraw/zinc/83/75/17/582837517.db2.gz SAVLNHFSRSQAJY-UHFFFAOYSA-N 1 1 188.230 1.606 10 30 ADEEMO C#CC[N@H+](CC)Cc1ccc(C#N)o1 769106666 582837519 /nfs/dbraw/zinc/83/75/19/582837519.db2.gz SAVLNHFSRSQAJY-UHFFFAOYSA-N 1 1 188.230 1.606 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)CCC1OCCCO1 769962680 582841224 /nfs/dbraw/zinc/84/12/24/582841224.db2.gz HHSSVXIEZUDDAN-JTQLQIEISA-N 1 1 197.278 1.093 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)CC[C@@H]1CCCCO1 769962990 582841245 /nfs/dbraw/zinc/84/12/45/582841245.db2.gz OAHITFFURMCFJF-RYUDHWBXSA-N 1 1 195.306 1.899 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)CC[C@H]1CCCCO1 769962991 582841252 /nfs/dbraw/zinc/84/12/52/582841252.db2.gz OAHITFFURMCFJF-VXGBXAGGSA-N 1 1 195.306 1.899 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)CCC1OCCCO1 769962682 582841261 /nfs/dbraw/zinc/84/12/61/582841261.db2.gz HHSSVXIEZUDDAN-SNVBAGLBSA-N 1 1 197.278 1.093 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)CCn1cc(C)cn1 769962174 582841290 /nfs/dbraw/zinc/84/12/90/582841290.db2.gz SPOZNDMBPWPKSY-LLVKDONJSA-N 1 1 191.278 1.145 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)CCc1ccncc1 769962172 582841356 /nfs/dbraw/zinc/84/13/56/582841356.db2.gz BXNWYMICPJHYIV-NSHDSACASA-N 1 1 188.274 1.578 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)CCC(=O)C(C)(C)C 769962971 582841375 /nfs/dbraw/zinc/84/13/75/582841375.db2.gz MTYPWXWJLATESQ-SNVBAGLBSA-N 1 1 195.306 1.945 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)CCc1ccncc1 769962171 582841419 /nfs/dbraw/zinc/84/14/19/582841419.db2.gz BXNWYMICPJHYIV-LLVKDONJSA-N 1 1 188.274 1.578 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)CC[C@H]1CCCCO1 769962989 582841432 /nfs/dbraw/zinc/84/14/32/582841432.db2.gz OAHITFFURMCFJF-NWDGAFQWSA-N 1 1 195.306 1.899 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)CCn1cc(C)cn1 769962175 582841532 /nfs/dbraw/zinc/84/15/32/582841532.db2.gz SPOZNDMBPWPKSY-NSHDSACASA-N 1 1 191.278 1.145 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)CC[C@@H]1CCCCO1 769962987 582841565 /nfs/dbraw/zinc/84/15/65/582841565.db2.gz OAHITFFURMCFJF-NEPJUHHUSA-N 1 1 195.306 1.899 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)CCC(=O)C(C)(C)C 769962970 582841581 /nfs/dbraw/zinc/84/15/81/582841581.db2.gz MTYPWXWJLATESQ-JTQLQIEISA-N 1 1 195.306 1.945 10 30 ADEEMO C=CC[N@H+](CN1CCCC1=O)C1CC1 771639533 582846763 /nfs/dbraw/zinc/84/67/63/582846763.db2.gz ANPDQUAJMFONBY-UHFFFAOYSA-N 1 1 194.278 1.217 10 30 ADEEMO C=CC[N@@H+](CN1CCCC1=O)C1CC1 771639533 582846765 /nfs/dbraw/zinc/84/67/65/582846765.db2.gz ANPDQUAJMFONBY-UHFFFAOYSA-N 1 1 194.278 1.217 10 30 ADEEMO CC(=O)CC[N@H+](CCC#N)CC1CC1 772802633 582851619 /nfs/dbraw/zinc/85/16/19/582851619.db2.gz OFHMQWKOVLJHCE-UHFFFAOYSA-N 1 1 194.278 1.591 10 30 ADEEMO CC(=O)CC[N@@H+](CCC#N)CC1CC1 772802633 582851622 /nfs/dbraw/zinc/85/16/22/582851622.db2.gz OFHMQWKOVLJHCE-UHFFFAOYSA-N 1 1 194.278 1.591 10 30 ADEEMO C#C[C@@H](C)[N@H+](C)Cc1ccc(C#N)o1 775177988 582861092 /nfs/dbraw/zinc/86/10/92/582861092.db2.gz FDXGLPSKZIAPHH-SECBINFHSA-N 1 1 188.230 1.605 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(C#N)o1 775177988 582861094 /nfs/dbraw/zinc/86/10/94/582861094.db2.gz FDXGLPSKZIAPHH-SECBINFHSA-N 1 1 188.230 1.605 10 30 ADEEMO C#C[C@H](C)[N@H+](C)Cc1cn(C)nc1C 775177425 582860914 /nfs/dbraw/zinc/86/09/14/582860914.db2.gz AJUPRXBGNSATLX-VIFPVBQESA-N 1 1 191.278 1.182 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)Cc1cn(C)nc1C 775177425 582860916 /nfs/dbraw/zinc/86/09/16/582860916.db2.gz AJUPRXBGNSATLX-VIFPVBQESA-N 1 1 191.278 1.182 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)Cc1ccc(C)nc1 775183034 582860945 /nfs/dbraw/zinc/86/09/45/582860945.db2.gz GMZSYSKIZIJVTD-NSHDSACASA-N 1 1 188.274 1.844 10 30 ADEEMO C#C[C@H](C)[N@H+](C)CC1(OC)CCCC1 775182675 582861107 /nfs/dbraw/zinc/86/11/07/582861107.db2.gz FSZUEZKQSINIJN-NSHDSACASA-N 1 1 195.306 1.899 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)C[C@@H]1CCO[C@H](C)C1 775179245 582861133 /nfs/dbraw/zinc/86/11/33/582861133.db2.gz MBBDWUPDGNMEID-QJPTWQEYSA-N 1 1 195.306 1.755 10 30 ADEEMO C#CC[NH+](CC#C)C[C@H]1CCC=CO1 774882840 582861291 /nfs/dbraw/zinc/86/12/91/582861291.db2.gz CPSWZYJUNBBCLD-GFCCVEGCSA-N 1 1 189.258 1.248 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)C[C@@H]1CCO[C@@H](C)C1 775179247 582861386 /nfs/dbraw/zinc/86/13/86/582861386.db2.gz MBBDWUPDGNMEID-SDDRHHMPSA-N 1 1 195.306 1.755 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(C)nc1 775183033 582861404 /nfs/dbraw/zinc/86/14/04/582861404.db2.gz GMZSYSKIZIJVTD-LLVKDONJSA-N 1 1 188.274 1.844 10 30 ADEEMO C#C[C@@H](C)[N@H+](C)CC1(OC)CCCC1 775182673 582861410 /nfs/dbraw/zinc/86/14/10/582861410.db2.gz FSZUEZKQSINIJN-LLVKDONJSA-N 1 1 195.306 1.899 10 30 ADEEMO C#C[C@H](C)[N@H+](C)Cc1ccc(C#N)o1 775177991 582861516 /nfs/dbraw/zinc/86/15/16/582861516.db2.gz FDXGLPSKZIAPHH-VIFPVBQESA-N 1 1 188.230 1.605 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)Cc1ccc(C#N)o1 775177991 582861517 /nfs/dbraw/zinc/86/15/17/582861517.db2.gz FDXGLPSKZIAPHH-VIFPVBQESA-N 1 1 188.230 1.605 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)C[C@H]1CCO[C@H](C)C1 775179250 582861502 /nfs/dbraw/zinc/86/15/02/582861502.db2.gz MBBDWUPDGNMEID-TUAOUCFPSA-N 1 1 195.306 1.755 10 30 ADEEMO C#C[C@@H](C)[N@H+](C)Cc1cn(C)nc1C 775177421 582861631 /nfs/dbraw/zinc/86/16/31/582861631.db2.gz AJUPRXBGNSATLX-SECBINFHSA-N 1 1 191.278 1.182 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)Cc1cn(C)nc1C 775177421 582861633 /nfs/dbraw/zinc/86/16/33/582861633.db2.gz AJUPRXBGNSATLX-SECBINFHSA-N 1 1 191.278 1.182 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)C[C@H]1CCO[C@@H](C)C1 775179249 582861852 /nfs/dbraw/zinc/86/18/52/582861852.db2.gz MBBDWUPDGNMEID-SRVKXCTJSA-N 1 1 195.306 1.755 10 30 ADEEMO C#CC[NH+](CC#C)C[C@@H]1CCC=CO1 774882842 582861919 /nfs/dbraw/zinc/86/19/19/582861919.db2.gz CPSWZYJUNBBCLD-LBPRGKRZSA-N 1 1 189.258 1.248 10 30 ADEEMO C[C@@H]1CCOCC[N@H+]1CCCCC#N 775569631 582863237 /nfs/dbraw/zinc/86/32/37/582863237.db2.gz OGTLNSLAMYGUJL-LLVKDONJSA-N 1 1 196.294 1.791 10 30 ADEEMO C#CC[N@H+](CC)C[C@@H]1CCC(C)(C)O1 775608909 582863314 /nfs/dbraw/zinc/86/33/14/582863314.db2.gz BGUAHBWWGNCCHF-NSHDSACASA-N 1 1 195.306 1.899 10 30 ADEEMO C[C@H]1CCOCC[N@H+]1CCCCC#N 775569633 582863517 /nfs/dbraw/zinc/86/35/17/582863517.db2.gz OGTLNSLAMYGUJL-NSHDSACASA-N 1 1 196.294 1.791 10 30 ADEEMO C#CCCC[N@H+](C)[C@H](CO)CC(C)C 775753819 582863545 /nfs/dbraw/zinc/86/35/45/582863545.db2.gz KPFULJKKANWAEP-LBPRGKRZSA-N 1 1 197.322 1.739 10 30 ADEEMO C#CCCC[N@H+](C)[C@@H](CO)CC(C)C 775753818 582863659 /nfs/dbraw/zinc/86/36/59/582863659.db2.gz KPFULJKKANWAEP-GFCCVEGCSA-N 1 1 197.322 1.739 10 30 ADEEMO C#CC[N@H+](CC)C[C@H]1CCC(C)(C)O1 775608908 582863747 /nfs/dbraw/zinc/86/37/47/582863747.db2.gz BGUAHBWWGNCCHF-LLVKDONJSA-N 1 1 195.306 1.899 10 30 ADEEMO C#CC[NH+](CC#C)CCC(C)(C)C#N 776588713 582866925 /nfs/dbraw/zinc/86/69/25/582866925.db2.gz OATVRAHXFPZCPR-UHFFFAOYSA-N 1 1 188.274 1.495 10 30 ADEEMO C=CC[N@@H+](C)Cc1cnc(C)cn1 778164342 582868915 /nfs/dbraw/zinc/86/89/15/582868915.db2.gz BKJANIHCRHTIIN-UHFFFAOYSA-N 1 1 177.251 1.403 10 30 ADEEMO C=CC[N@H+](C)Cc1cnc(C)cn1 778164342 582868917 /nfs/dbraw/zinc/86/89/17/582868917.db2.gz BKJANIHCRHTIIN-UHFFFAOYSA-N 1 1 177.251 1.403 10 30 ADEEMO C=CC[N@H+](C)CC1(O)CCCCC1 778165234 582869000 /nfs/dbraw/zinc/86/90/00/582869000.db2.gz MSVYCELCZJXVEJ-UHFFFAOYSA-N 1 1 183.295 1.799 10 30 ADEEMO C=CCC[N@H+]1CCC[C@@]12CCOC2=O 778243818 582869480 /nfs/dbraw/zinc/86/94/80/582869480.db2.gz GODXGNOBEIHBPK-NSHDSACASA-N 1 1 195.262 1.344 10 30 ADEEMO C=CCC[N@H+]1CCC[C@]12CCOC2=O 778243816 582869500 /nfs/dbraw/zinc/86/95/00/582869500.db2.gz GODXGNOBEIHBPK-LLVKDONJSA-N 1 1 195.262 1.344 10 30 ADEEMO C#CC[N@H+](C)C[C@@H]1CCCC[C@@H]1O 778246870 582869640 /nfs/dbraw/zinc/86/96/40/582869640.db2.gz RCPRUPNECQGEJZ-QWRGUYRKSA-N 1 1 181.279 1.103 10 30 ADEEMO C#CCC[N@H+](C)[C@]1(CO)CC[C@H](C)C1 778430509 582869775 /nfs/dbraw/zinc/86/97/75/582869775.db2.gz SKLXHLRXXTYZAJ-NWDGAFQWSA-N 1 1 195.306 1.493 10 30 ADEEMO C=C(C)C[N@@H+](C)CCC1OCCCO1 778230862 582869823 /nfs/dbraw/zinc/86/98/23/582869823.db2.gz GSKCNUROQKHCSU-UHFFFAOYSA-N 1 1 199.294 1.647 10 30 ADEEMO C#CC[N@H+](C)C[C@@H]1CCCC[C@H]1O 778246872 582869827 /nfs/dbraw/zinc/86/98/27/582869827.db2.gz RCPRUPNECQGEJZ-WDEREUQCSA-N 1 1 181.279 1.103 10 30 ADEEMO C=C(C)C[N@@H+](C)Cc1cnc(C)cn1 778230419 582870008 /nfs/dbraw/zinc/87/00/08/582870008.db2.gz GCEPOHYMFRPRGX-UHFFFAOYSA-N 1 1 191.278 1.793 10 30 ADEEMO C=C(C)C[N@H+](C)Cc1cnc(C)cn1 778230419 582870011 /nfs/dbraw/zinc/87/00/11/582870011.db2.gz GCEPOHYMFRPRGX-UHFFFAOYSA-N 1 1 191.278 1.793 10 30 ADEEMO C#CC[N@H+](C)C[C@H]1CCCC[C@@H]1O 778246868 582870073 /nfs/dbraw/zinc/87/00/73/582870073.db2.gz RCPRUPNECQGEJZ-MNOVXSKESA-N 1 1 181.279 1.103 10 30 ADEEMO C#CC[N@H+](C)C[C@H]1CCCC[C@H]1O 778246852 582870254 /nfs/dbraw/zinc/87/02/54/582870254.db2.gz RCPRUPNECQGEJZ-GHMZBOCLSA-N 1 1 181.279 1.103 10 30 ADEEMO C#CCC[N@H+](C)[C@]1(CO)CC[C@@H](C)C1 778430512 582870286 /nfs/dbraw/zinc/87/02/86/582870286.db2.gz SKLXHLRXXTYZAJ-VXGBXAGGSA-N 1 1 195.306 1.493 10 30 ADEEMO C#CCC[N@H+](C)[C@@]1(CO)CC[C@H](C)C1 778430511 582870389 /nfs/dbraw/zinc/87/03/89/582870389.db2.gz SKLXHLRXXTYZAJ-RYUDHWBXSA-N 1 1 195.306 1.493 10 30 ADEEMO C#CCC[N@H+](C)[C@@]1(CO)CC[C@@H](C)C1 778430505 582871203 /nfs/dbraw/zinc/87/12/03/582871203.db2.gz SKLXHLRXXTYZAJ-NEPJUHHUSA-N 1 1 195.306 1.493 10 30 ADEEMO C#CC[N@H+](CC)C[C@H]1CCO[C@@H](C)C1 778999425 582871531 /nfs/dbraw/zinc/87/15/31/582871531.db2.gz KJIMVFFMSFVIJT-RYUDHWBXSA-N 1 1 195.306 1.757 10 30 ADEEMO C#CC[N@H+](CC)C[C@@H]1CCO[C@@H](C)C1 778999424 582871633 /nfs/dbraw/zinc/87/16/33/582871633.db2.gz KJIMVFFMSFVIJT-NWDGAFQWSA-N 1 1 195.306 1.757 10 30 ADEEMO C#CC[N@H+](CC)C[C@H]1CCO[C@H](C)C1 778999423 582871704 /nfs/dbraw/zinc/87/17/04/582871704.db2.gz KJIMVFFMSFVIJT-NEPJUHHUSA-N 1 1 195.306 1.757 10 30 ADEEMO C#CC[N@H+](CC)C[C@@H]1CCO[C@H](C)C1 778999426 582871820 /nfs/dbraw/zinc/87/18/20/582871820.db2.gz KJIMVFFMSFVIJT-VXGBXAGGSA-N 1 1 195.306 1.757 10 30 ADEEMO C(=NNc1cc[nH+]cc1)c1ccoc1 779809185 582875440 /nfs/dbraw/zinc/87/54/40/582875440.db2.gz MKQMFBUJMPAPEF-UHFFFAOYSA-N 1 1 187.202 1.543 10 30 ADEEMO C#CCCC[N@H+]1CCOCC2(CC2)C1 782537309 582884016 /nfs/dbraw/zinc/88/40/16/582884016.db2.gz UIVKOMGLSPPFAF-UHFFFAOYSA-N 1 1 193.290 1.512 10 30 ADEEMO C#CC[N@H+](C[C@@H](C)OC)C1CCCC1 782477557 582884562 /nfs/dbraw/zinc/88/45/62/582884562.db2.gz XTEKTCIZUATXCC-LLVKDONJSA-N 1 1 195.306 1.899 10 30 ADEEMO C#CCC[N@H+]1CCn2cc(C)nc2C1 782514838 582884665 /nfs/dbraw/zinc/88/46/65/582884665.db2.gz XXDAOMKFSOAADF-UHFFFAOYSA-N 1 1 189.262 1.030 10 30 ADEEMO C#CCC[N@@H+]1CCn2cc(C)nc2C1 782514838 582884668 /nfs/dbraw/zinc/88/46/68/582884668.db2.gz XXDAOMKFSOAADF-UHFFFAOYSA-N 1 1 189.262 1.030 10 30 ADEEMO C#CC[N@H+](C[C@H](C)OC)C1CCCC1 782477558 582884794 /nfs/dbraw/zinc/88/47/94/582884794.db2.gz XTEKTCIZUATXCC-NSHDSACASA-N 1 1 195.306 1.899 10 30 ADEEMO C=C(CC)C[N@@H+]1CC(=O)N(C)C[C@H]1C 782590899 582884950 /nfs/dbraw/zinc/88/49/50/582884950.db2.gz ASAGDMLYSZMGOL-SNVBAGLBSA-N 1 1 196.294 1.115 10 30 ADEEMO C=C(CC)C[N@H+]1CC(=O)N(C)C[C@H]1C 782590899 582884956 /nfs/dbraw/zinc/88/49/56/582884956.db2.gz ASAGDMLYSZMGOL-SNVBAGLBSA-N 1 1 196.294 1.115 10 30 ADEEMO C#CCCC[N@@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C 782625812 582885607 /nfs/dbraw/zinc/88/56/07/582885607.db2.gz YFQSWMHEPZXVEC-SRVKXCTJSA-N 1 1 195.306 1.898 10 30 ADEEMO C#CCCC[N@@H+]1C[C@H](C)O[C@H](C)[C@H]1C 782625809 582885612 /nfs/dbraw/zinc/88/56/12/582885612.db2.gz YFQSWMHEPZXVEC-QJPTWQEYSA-N 1 1 195.306 1.898 10 30 ADEEMO C#CCCC[N@@H+]1C[C@H](C)O[C@H](C)[C@@H]1C 782625811 582885667 /nfs/dbraw/zinc/88/56/67/582885667.db2.gz YFQSWMHEPZXVEC-SDDRHHMPSA-N 1 1 195.306 1.898 10 30 ADEEMO CCC#C[C@H](C)[N@H+]1C[C@H]2C[C@@]2(CO)C1 782631488 582885717 /nfs/dbraw/zinc/88/57/17/582885717.db2.gz GNMOZTVXGCWXAV-TUAOUCFPSA-N 1 1 193.290 1.103 10 30 ADEEMO C#CCCC[N@@H+]1C[C@H](C)O[C@@H](C)[C@H]1C 782625813 582885771 /nfs/dbraw/zinc/88/57/71/582885771.db2.gz YFQSWMHEPZXVEC-TUAOUCFPSA-N 1 1 195.306 1.898 10 30 ADEEMO CCC#C[C@H](C)[N@H+]1C[C@@H]2C[C@]2(CO)C1 782631486 582885837 /nfs/dbraw/zinc/88/58/37/582885837.db2.gz GNMOZTVXGCWXAV-SDDRHHMPSA-N 1 1 193.290 1.103 10 30 ADEEMO C=C(CC)C[N@@H+]1CC(=O)N(C)C[C@@H]1C 782590898 582885915 /nfs/dbraw/zinc/88/59/15/582885915.db2.gz ASAGDMLYSZMGOL-JTQLQIEISA-N 1 1 196.294 1.115 10 30 ADEEMO C=C(CC)C[N@H+]1CC(=O)N(C)C[C@@H]1C 782590898 582885918 /nfs/dbraw/zinc/88/59/18/582885918.db2.gz ASAGDMLYSZMGOL-JTQLQIEISA-N 1 1 196.294 1.115 10 30 ADEEMO C#CC[NH+](CC#C)CCOC1CCC1 805742042 582886039 /nfs/dbraw/zinc/88/60/39/582886039.db2.gz BAFIMIRZNROJFL-UHFFFAOYSA-N 1 1 191.274 1.124 10 30 ADEEMO C#CC[N@@H+](CC#CC)C[C@@H](C)COC 783574053 582887813 /nfs/dbraw/zinc/88/78/13/582887813.db2.gz QTTINVAGUXXPFC-GFCCVEGCSA-N 1 1 193.290 1.227 10 30 ADEEMO C#CC[N@@H+](CC)CC[C@@H]1CCOC1 783548456 582888045 /nfs/dbraw/zinc/88/80/45/582888045.db2.gz HLSNHSPMGFAZEM-LLVKDONJSA-N 1 1 181.279 1.368 10 30 ADEEMO C#CC[N@@H+](CC#CC)C[C@H](C)COC 783574054 582888091 /nfs/dbraw/zinc/88/80/91/582888091.db2.gz QTTINVAGUXXPFC-LBPRGKRZSA-N 1 1 193.290 1.227 10 30 ADEEMO C#CC[N@@H+](CC)CC[C@H]1CCOC1 783548460 582888241 /nfs/dbraw/zinc/88/82/41/582888241.db2.gz HLSNHSPMGFAZEM-NSHDSACASA-N 1 1 181.279 1.368 10 30 ADEEMO C#CCCC[N@H+]1CCO[C@](C)(CC)C1 785494213 582893168 /nfs/dbraw/zinc/89/31/68/582893168.db2.gz CVVKBAQZCSXAOJ-GFCCVEGCSA-N 1 1 195.306 1.901 10 30 ADEEMO C#CCCC[N@H+]1CCO[C@@](C)(CC)C1 785494215 582893367 /nfs/dbraw/zinc/89/33/67/582893367.db2.gz CVVKBAQZCSXAOJ-LBPRGKRZSA-N 1 1 195.306 1.901 10 30 ADEEMO C=CCOC(=O)C[N@H+]1[C@@H](C)CC[C@H]1C 785726494 582894034 /nfs/dbraw/zinc/89/40/34/582894034.db2.gz CMRBSULWJUKIRW-AOOOYVTPSA-N 1 1 197.278 1.588 10 30 ADEEMO C=C[C@H]1CCCC[N@@H+]1CC(OC)OC 785996138 582895507 /nfs/dbraw/zinc/89/55/07/582895507.db2.gz ABUUDWZZLJICOJ-JTQLQIEISA-N 1 1 199.294 1.646 10 30 ADEEMO C=C[C@@H]1CCCC[N@@H+]1CC(OC)OC 785996139 582895578 /nfs/dbraw/zinc/89/55/78/582895578.db2.gz ABUUDWZZLJICOJ-SNVBAGLBSA-N 1 1 199.294 1.646 10 30 ADEEMO C=CCC[N@@H+](C)CC(=O)OCC(C)C 786442399 582895862 /nfs/dbraw/zinc/89/58/62/582895862.db2.gz GCHKAWKIHFRVGH-UHFFFAOYSA-N 1 1 199.294 1.694 10 30 ADEEMO C=CCC[N@H+](C)CC(=O)OCC(C)C 786442399 582895865 /nfs/dbraw/zinc/89/58/65/582895865.db2.gz GCHKAWKIHFRVGH-UHFFFAOYSA-N 1 1 199.294 1.694 10 30 ADEEMO C=CCC[N@@H+](C)Cc1nonc1C 786443205 582895931 /nfs/dbraw/zinc/89/59/31/582895931.db2.gz HXGYJUYCQQCOPA-UHFFFAOYSA-N 1 1 181.239 1.386 10 30 ADEEMO C=CCC[N@H+](C)Cc1nonc1C 786443205 582895933 /nfs/dbraw/zinc/89/59/33/582895933.db2.gz HXGYJUYCQQCOPA-UHFFFAOYSA-N 1 1 181.239 1.386 10 30 ADEEMO C=CCC[N@H+](C)CCC1OCCCO1 786443191 582896070 /nfs/dbraw/zinc/89/60/70/582896070.db2.gz HSSPSQLTNKRQLU-UHFFFAOYSA-N 1 1 199.294 1.647 10 30 ADEEMO C=CCC[N@@H+](C)Cc1nccc(C)n1 786442258 582896491 /nfs/dbraw/zinc/89/64/91/582896491.db2.gz FENPCUCJCVZJLW-UHFFFAOYSA-N 1 1 191.278 1.793 10 30 ADEEMO C=CCC[N@H+](C)Cc1nccc(C)n1 786442258 582896492 /nfs/dbraw/zinc/89/64/92/582896492.db2.gz FENPCUCJCVZJLW-UHFFFAOYSA-N 1 1 191.278 1.793 10 30 ADEEMO C#C[C@H]1CCC[N@H+](CC(=C)C)C1 847026484 583161625 /nfs/dbraw/zinc/16/16/25/583161625.db2.gz POCWIGSJYWTJTE-NSHDSACASA-N 1 1 163.264 1.908 10 30 ADEEMO C#C[C@@H]1CCC[N@@H+](C[C@H]2CCCO2)C1 847031312 583161636 /nfs/dbraw/zinc/16/16/36/583161636.db2.gz TYGMFKFVYKKEEV-VXGBXAGGSA-N 1 1 193.290 1.511 10 30 ADEEMO C#C[C@@H]1CCC[N@H+](C[C@H](CC)OC)C1 847036891 583161668 /nfs/dbraw/zinc/16/16/68/583161668.db2.gz SEKDWHXOKVWPPE-NEPJUHHUSA-N 1 1 195.306 1.757 10 30 ADEEMO C#C[C@@H]1CCC[N@@H+](C[C@@H]2CCCO2)C1 847031306 583161679 /nfs/dbraw/zinc/16/16/79/583161679.db2.gz TYGMFKFVYKKEEV-NEPJUHHUSA-N 1 1 193.290 1.511 10 30 ADEEMO C#C[C@@H]1CCC[N@H+](CCCF)C1 847028536 583161683 /nfs/dbraw/zinc/16/16/83/583161683.db2.gz ZGDOUIUFIBHWDU-SNVBAGLBSA-N 1 1 169.243 1.691 10 30 ADEEMO C#C[C@@H]1CCC[N@H+](CCC(C)=O)C1 847026817 583161685 /nfs/dbraw/zinc/16/16/85/583161685.db2.gz HMVMUTMACDTJGF-LLVKDONJSA-N 1 1 179.263 1.311 10 30 ADEEMO C#CC[N@H+](CCC(C)(C)OC)C1CC1 787303155 582899339 /nfs/dbraw/zinc/89/93/39/582899339.db2.gz QYYIWOPMJGZNFC-UHFFFAOYSA-N 1 1 195.306 1.899 10 30 ADEEMO C#CC[N@@H+](CC)CCC(C)(C)OC 787257498 582899359 /nfs/dbraw/zinc/89/93/59/582899359.db2.gz RYSJNYFINBXBEY-UHFFFAOYSA-N 1 1 183.295 1.757 10 30 ADEEMO C#CC(C)(C)[N@@H+](C)Cc1ccncc1 787997913 582901593 /nfs/dbraw/zinc/90/15/93/582901593.db2.gz DZZAHXFPYRCAIX-UHFFFAOYSA-N 1 1 188.274 1.925 10 30 ADEEMO C#CC(C)(C)[N@@H+](C)Cc1ccccn1 787998371 582901996 /nfs/dbraw/zinc/90/19/96/582901996.db2.gz GOBPXZBNDYIJSA-UHFFFAOYSA-N 1 1 188.274 1.925 10 30 ADEEMO C#CC(C)(C)[N@H+](C)CCCC(=O)OC 787996967 582902129 /nfs/dbraw/zinc/90/21/29/582902129.db2.gz DHCRASXNBQUTON-UHFFFAOYSA-N 1 1 197.278 1.283 10 30 ADEEMO C#CC[NH+](CC#C)C[C@H]1CC[C@H](C)O1 789326199 582905278 /nfs/dbraw/zinc/90/52/78/582905278.db2.gz FIECLRIZRWUOGJ-NWDGAFQWSA-N 1 1 191.274 1.122 10 30 ADEEMO C#CC[N@@H+](CC)CCC[C@@H](C)O 789326292 582905376 /nfs/dbraw/zinc/90/53/76/582905376.db2.gz GNECSEUYMOZRQJ-SNVBAGLBSA-N 1 1 169.268 1.103 10 30 ADEEMO C#CC[N@H+](C[C@@H]1CC[C@H](C)O1)C1CC1 789376847 582905396 /nfs/dbraw/zinc/90/53/96/582905396.db2.gz GBKIGEKVFALMCO-JQWIXIFHSA-N 1 1 193.290 1.652 10 30 ADEEMO C#CC[N@H+](C[C@H]1CC[C@H](C)O1)C1CC1 789376846 582905399 /nfs/dbraw/zinc/90/53/99/582905399.db2.gz GBKIGEKVFALMCO-CMPLNLGQSA-N 1 1 193.290 1.652 10 30 ADEEMO C#CC[N@H+](C[C@@H]1CC[C@@H](C)O1)C1CC1 789376849 582905419 /nfs/dbraw/zinc/90/54/19/582905419.db2.gz GBKIGEKVFALMCO-PWSUYJOCSA-N 1 1 193.290 1.652 10 30 ADEEMO C#CC[N@@H+](CC)CCC[C@H](C)O 789326280 582905466 /nfs/dbraw/zinc/90/54/66/582905466.db2.gz GNECSEUYMOZRQJ-JTQLQIEISA-N 1 1 169.268 1.103 10 30 ADEEMO C#CC[N@H+](CC)C[C@@H]1CC[C@@H](C)O1 789326419 582905496 /nfs/dbraw/zinc/90/54/96/582905496.db2.gz HHEWGVCCAZNPBI-MNOVXSKESA-N 1 1 181.279 1.509 10 30 ADEEMO C#CC[N@H+](CC)C[C@H]1CC[C@@H](C)O1 789326410 582905570 /nfs/dbraw/zinc/90/55/70/582905570.db2.gz HHEWGVCCAZNPBI-GHMZBOCLSA-N 1 1 181.279 1.509 10 30 ADEEMO C#CC[N@H+](C[C@H]1CC[C@@H](C)O1)C1CC1 789376850 582905714 /nfs/dbraw/zinc/90/57/14/582905714.db2.gz GBKIGEKVFALMCO-ZYHUDNBSSA-N 1 1 193.290 1.652 10 30 ADEEMO C#CC[N@H+](CC)C[C@@H]1CC[C@H](C)O1 789326422 582905759 /nfs/dbraw/zinc/90/57/59/582905759.db2.gz HHEWGVCCAZNPBI-QWRGUYRKSA-N 1 1 181.279 1.509 10 30 ADEEMO C#CCC[N@H+](C)Cc1cnn(C)c1C 790445163 582910022 /nfs/dbraw/zinc/91/00/22/582910022.db2.gz GCYPDNHXDPRWOM-UHFFFAOYSA-N 1 1 191.278 1.184 10 30 ADEEMO C#CCC[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 791551333 582913332 /nfs/dbraw/zinc/91/33/32/582913332.db2.gz AQLDDFBGBVRIRR-PWSUYJOCSA-N 1 1 193.290 1.509 10 30 ADEEMO C#CCC[N@@H+]1C[C@H](C)O[C@@H](C2CC2)C1 791551330 582913786 /nfs/dbraw/zinc/91/37/86/582913786.db2.gz AQLDDFBGBVRIRR-CMPLNLGQSA-N 1 1 193.290 1.509 10 30 ADEEMO C#CCC[N@H+]1C[C@H](C2CC2)O[C@H](C)C1 791551334 582913826 /nfs/dbraw/zinc/91/38/26/582913826.db2.gz AQLDDFBGBVRIRR-ZYHUDNBSSA-N 1 1 193.290 1.509 10 30 ADEEMO C#CCC[N@@H+]1C[C@H](C)O[C@H](C2CC2)C1 791551332 582913908 /nfs/dbraw/zinc/91/39/08/582913908.db2.gz AQLDDFBGBVRIRR-JQWIXIFHSA-N 1 1 193.290 1.509 10 30 ADEEMO C=CC[N@@H+](CCOC)Cc1ccoc1 792192414 582916064 /nfs/dbraw/zinc/91/60/64/582916064.db2.gz JXYJAOQFNRLNLO-UHFFFAOYSA-N 1 1 195.262 1.914 10 30 ADEEMO C=CC[N@H+](CCOC)Cc1ccoc1 792192414 582916068 /nfs/dbraw/zinc/91/60/68/582916068.db2.gz JXYJAOQFNRLNLO-UHFFFAOYSA-N 1 1 195.262 1.914 10 30 ADEEMO C#CC[N@@H+](CC)CC#Cc1ccccc1 792235377 582916208 /nfs/dbraw/zinc/91/62/08/582916208.db2.gz OVDZZXAURPYXQP-UHFFFAOYSA-N 1 1 197.281 1.993 10 30 ADEEMO C#CC[N@H+](CC)CC#Cc1ccccc1 792235377 582916209 /nfs/dbraw/zinc/91/62/09/582916209.db2.gz OVDZZXAURPYXQP-UHFFFAOYSA-N 1 1 197.281 1.993 10 30 ADEEMO C#CC[N@H+](C)C[C@@H]1CC[C@H](C)O1 792305601 582916292 /nfs/dbraw/zinc/91/62/92/582916292.db2.gz AUBKANJPMMKIRA-UWVGGRQHSA-N 1 1 167.252 1.119 10 30 ADEEMO C#CC[N@H+](C)C[C@H](O)C1CCCCC1 792298054 582916360 /nfs/dbraw/zinc/91/63/60/582916360.db2.gz DBQUTXUGSVYDAT-LBPRGKRZSA-N 1 1 195.306 1.493 10 30 ADEEMO C#CC[N@@H+](C)Cc1sc(C)nc1C 792298013 582916465 /nfs/dbraw/zinc/91/64/65/582916465.db2.gz BWFIDPIKMMQRQC-UHFFFAOYSA-N 1 1 194.303 1.825 10 30 ADEEMO C#CC[N@H+](C)Cc1sc(C)nc1C 792298013 582916469 /nfs/dbraw/zinc/91/64/69/582916469.db2.gz BWFIDPIKMMQRQC-UHFFFAOYSA-N 1 1 194.303 1.825 10 30 ADEEMO C#CC[N@@H+](C)CCc1c(C)noc1C 792298091 582916488 /nfs/dbraw/zinc/91/64/88/582916488.db2.gz HNLFUBNSYKIDJB-UHFFFAOYSA-N 1 1 192.262 1.399 10 30 ADEEMO C#CC[N@@H+](C)Cc1ccc(C)nc1C 792305227 582916606 /nfs/dbraw/zinc/91/66/06/582916606.db2.gz FZPVYCGDPYSFLD-UHFFFAOYSA-N 1 1 188.274 1.763 10 30 ADEEMO C#CC[N@H+](C)Cc1ccc(C)nc1C 792305227 582916609 /nfs/dbraw/zinc/91/66/09/582916609.db2.gz FZPVYCGDPYSFLD-UHFFFAOYSA-N 1 1 188.274 1.763 10 30 ADEEMO C#CC[N@H+](C)C[C@@H](O)C1CCCCC1 792298053 582916669 /nfs/dbraw/zinc/91/66/69/582916669.db2.gz DBQUTXUGSVYDAT-GFCCVEGCSA-N 1 1 195.306 1.493 10 30 ADEEMO C#CC[N@@H+](C)CC#Cc1ccccc1 792298531 582916909 /nfs/dbraw/zinc/91/69/09/582916909.db2.gz RWEMXIGTWSWEBN-UHFFFAOYSA-N 1 1 183.254 1.603 10 30 ADEEMO C#CC[N@H+](C)CC#Cc1ccccc1 792298531 582916911 /nfs/dbraw/zinc/91/69/11/582916911.db2.gz RWEMXIGTWSWEBN-UHFFFAOYSA-N 1 1 183.254 1.603 10 30 ADEEMO C#CC[N@H+](C)C[C@H]1CC[C@H](C)O1 792305602 582916720 /nfs/dbraw/zinc/91/67/20/582916720.db2.gz AUBKANJPMMKIRA-VHSXEESVSA-N 1 1 167.252 1.119 10 30 ADEEMO C#CC[N@H+](C)C[C@@H]1CC[C@@H](C)O1 792305603 582916775 /nfs/dbraw/zinc/91/67/75/582916775.db2.gz AUBKANJPMMKIRA-ZJUUUORDSA-N 1 1 167.252 1.119 10 30 ADEEMO C#CC[N@H+](C)CC1(O)CCCCC1 792297860 582916859 /nfs/dbraw/zinc/91/68/59/582916859.db2.gz AJGNXDGJOPXRPA-UHFFFAOYSA-N 1 1 181.279 1.247 10 30 ADEEMO C#CC[N@H+](C)C[C@H]1CC[C@@H](C)O1 792305591 582916973 /nfs/dbraw/zinc/91/69/73/582916973.db2.gz AUBKANJPMMKIRA-NXEZZACHSA-N 1 1 167.252 1.119 10 30 ADEEMO C#CC[N@@H+](C)CCOCC(F)(F)F 792304974 582917046 /nfs/dbraw/zinc/91/70/46/582917046.db2.gz ALIIFEWFITYNHI-UHFFFAOYSA-N 1 1 195.184 1.130 10 30 ADEEMO C#CC[N@@H+](C)Cc1ccnc(C#N)c1 792298500 582917088 /nfs/dbraw/zinc/91/70/88/582917088.db2.gz OZAGTAZOMYCSRK-UHFFFAOYSA-N 1 1 185.230 1.018 10 30 ADEEMO C#CC[N@H+](C)Cc1ccnc(C#N)c1 792298500 582917089 /nfs/dbraw/zinc/91/70/89/582917089.db2.gz OZAGTAZOMYCSRK-UHFFFAOYSA-N 1 1 185.230 1.018 10 30 ADEEMO C#CC[N@H+](C)Cc1ccc(CC#N)cc1 792305270 582917183 /nfs/dbraw/zinc/91/71/83/582917183.db2.gz GTORVUSNNJZAJH-UHFFFAOYSA-N 1 1 198.269 1.818 10 30 ADEEMO C#CC[N@@H+](C)Cc1ccnc(OC)c1 792301235 582917385 /nfs/dbraw/zinc/91/73/85/582917385.db2.gz FKNJDMDJVYXBGO-UHFFFAOYSA-N 1 1 190.246 1.155 10 30 ADEEMO C#CC[N@H+](C)Cc1ccnc(OC)c1 792301235 582917386 /nfs/dbraw/zinc/91/73/86/582917386.db2.gz FKNJDMDJVYXBGO-UHFFFAOYSA-N 1 1 190.246 1.155 10 30 ADEEMO C#CC[N@H+](C)C[C@H](O)CC1CCCC1 792306487 582917557 /nfs/dbraw/zinc/91/75/57/582917557.db2.gz WJGPHSFGBGCUKV-GFCCVEGCSA-N 1 1 195.306 1.493 10 30 ADEEMO C#CC[N@H+](C)C[C@@H](O)CC1CCCC1 792306490 582917646 /nfs/dbraw/zinc/91/76/46/582917646.db2.gz WJGPHSFGBGCUKV-LBPRGKRZSA-N 1 1 195.306 1.493 10 30 ADEEMO C#CCC[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F 794610861 582920216 /nfs/dbraw/zinc/92/02/16/582920216.db2.gz VCXNVSFWXYEFBH-ZJUUUORDSA-N 1 1 199.244 1.987 10 30 ADEEMO C#CCC[N@H+]1CCC[C@H]1c1cc[nH]n1 794587569 582920352 /nfs/dbraw/zinc/92/03/52/582920352.db2.gz ZRXXVFWVCWKHOK-NSHDSACASA-N 1 1 189.262 1.570 10 30 ADEEMO C#CC(C)(C)[N@@H+](C)CCC1OCCO1 794574217 582920481 /nfs/dbraw/zinc/92/04/81/582920481.db2.gz CECIUKXWRRYOHQ-UHFFFAOYSA-N 1 1 197.278 1.093 10 30 ADEEMO C#CCC[N@@H+]1CC[C@]2(C)[C@H](C1)C2(F)F 794610860 582920499 /nfs/dbraw/zinc/92/04/99/582920499.db2.gz VCXNVSFWXYEFBH-VHSXEESVSA-N 1 1 199.244 1.987 10 30 ADEEMO C#CC(C)(C)[N@@H+](C)Cc1ccnn1C 794574225 582920697 /nfs/dbraw/zinc/92/06/97/582920697.db2.gz CLCPHSQTDANLMV-UHFFFAOYSA-N 1 1 191.278 1.264 10 30 ADEEMO C#CC(C)(C)[N@H+](C)Cc1ccnn1C 794574225 582920702 /nfs/dbraw/zinc/92/07/02/582920702.db2.gz CLCPHSQTDANLMV-UHFFFAOYSA-N 1 1 191.278 1.264 10 30 ADEEMO C#CC(C)(C)[N@@H+](C)CCOCC1CC1 794574388 582920727 /nfs/dbraw/zinc/92/07/27/582920727.db2.gz GNFAMAUBFXTKTI-UHFFFAOYSA-N 1 1 195.306 1.757 10 30 ADEEMO C#CC(C)(C)[N@@H+](C)C[C@@H]1CCCCO1 794578646 582921186 /nfs/dbraw/zinc/92/11/86/582921186.db2.gz DHSHBOSDLDJLFM-NSHDSACASA-N 1 1 195.306 1.899 10 30 ADEEMO C#CC(C)(C)[N@@H+](C)C[C@H]1CCCCO1 794578645 582921240 /nfs/dbraw/zinc/92/12/40/582921240.db2.gz DHSHBOSDLDJLFM-LLVKDONJSA-N 1 1 195.306 1.899 10 30 ADEEMO C#CCC[N@H+]1CCC[C@@H]1c1cc[nH]n1 794587568 582921267 /nfs/dbraw/zinc/92/12/67/582921267.db2.gz ZRXXVFWVCWKHOK-LLVKDONJSA-N 1 1 189.262 1.570 10 30 ADEEMO C#CCCC[N@@H+]1CC[C@H]2CN(C)C[C@@H]21 794949816 582921445 /nfs/dbraw/zinc/92/14/45/582921445.db2.gz SZOGLYMGKFOFEE-RYUDHWBXSA-N 1 1 192.306 1.036 10 30 ADEEMO C#CCCC[N@@H+]1CC[C@@H]2CN(C)C[C@@H]21 794949809 582922175 /nfs/dbraw/zinc/92/21/75/582922175.db2.gz SZOGLYMGKFOFEE-NEPJUHHUSA-N 1 1 192.306 1.036 10 30 ADEEMO C#CCCC[N@@H+]1CC[C@H]2CN(C)C[C@H]21 794949814 582922202 /nfs/dbraw/zinc/92/22/02/582922202.db2.gz SZOGLYMGKFOFEE-NWDGAFQWSA-N 1 1 192.306 1.036 10 30 ADEEMO C#CCCC[N@@H+]1CC[C@@H]2CN(C)C[C@H]21 794949817 582922278 /nfs/dbraw/zinc/92/22/78/582922278.db2.gz SZOGLYMGKFOFEE-VXGBXAGGSA-N 1 1 192.306 1.036 10 30 ADEEMO C#CCC[N@H+](C)Cc1cnccc1C 796505488 582925149 /nfs/dbraw/zinc/92/51/49/582925149.db2.gz IBZVKKHDYHRCJP-UHFFFAOYSA-N 1 1 188.274 1.845 10 30 ADEEMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)CC 796689624 582925189 /nfs/dbraw/zinc/92/51/89/582925189.db2.gz QTCQXBXUNTWCJZ-SNVBAGLBSA-N 1 1 195.262 1.037 10 30 ADEEMO C#C[C@H](C)[N@H+](C)Cc1ccnc(C)n1 796455483 582925249 /nfs/dbraw/zinc/92/52/49/582925249.db2.gz IMUUBZNVANOFCN-VIFPVBQESA-N 1 1 189.262 1.239 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)Cc1ccnc(C)n1 796455483 582925252 /nfs/dbraw/zinc/92/52/52/582925252.db2.gz IMUUBZNVANOFCN-VIFPVBQESA-N 1 1 189.262 1.239 10 30 ADEEMO C#C[C@@H](C)[N@H+](C)Cc1ccnc(C)n1 796455480 582925510 /nfs/dbraw/zinc/92/55/10/582925510.db2.gz IMUUBZNVANOFCN-SECBINFHSA-N 1 1 189.262 1.239 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)Cc1ccnc(C)n1 796455480 582925511 /nfs/dbraw/zinc/92/55/11/582925511.db2.gz IMUUBZNVANOFCN-SECBINFHSA-N 1 1 189.262 1.239 10 30 ADEEMO C#CC[N@@H+]1CCC[C@H]1COC(=O)CC 796689621 582925620 /nfs/dbraw/zinc/92/56/20/582925620.db2.gz QTCQXBXUNTWCJZ-JTQLQIEISA-N 1 1 195.262 1.037 10 30 ADEEMO C#CC[N@@H+](CCO)Cc1ccc(C)o1 796559746 582925660 /nfs/dbraw/zinc/92/56/60/582925660.db2.gz ZWAULFVKBOUEBL-UHFFFAOYSA-N 1 1 193.246 1.016 10 30 ADEEMO C#CC[N@H+](CCO)Cc1ccc(C)o1 796559746 582925663 /nfs/dbraw/zinc/92/56/63/582925663.db2.gz ZWAULFVKBOUEBL-UHFFFAOYSA-N 1 1 193.246 1.016 10 30 ADEEMO C#CC[NH+](CC#C)CCOCC(C)C 800346700 582933828 /nfs/dbraw/zinc/93/38/28/582933828.db2.gz DVDSAOCUXFJKFO-UHFFFAOYSA-N 1 1 193.290 1.227 10 30 ADEEMO C#CC[N@H+](C)CCOCC(C)C 800380795 582934824 /nfs/dbraw/zinc/93/48/24/582934824.db2.gz CSYZIMXHICBGRH-UHFFFAOYSA-N 1 1 169.268 1.224 10 30 ADEEMO C=CCCC[N@H+](C)CCO[C@H](C)C#N 801922489 582936665 /nfs/dbraw/zinc/93/66/65/582936665.db2.gz KBWFVYQZZVSCQO-LLVKDONJSA-N 1 1 196.294 1.813 10 30 ADEEMO C#CC[N@H+](C)CCc1ccnn1CC 801949954 582937048 /nfs/dbraw/zinc/93/70/48/582937048.db2.gz RCUWUHXHWOMXRB-UHFFFAOYSA-N 1 1 191.278 1.011 10 30 ADEEMO C#CC[NH+](CC#C)CCC(=O)C(C)C 808733377 582937363 /nfs/dbraw/zinc/93/73/63/582937363.db2.gz QTGUPCDLQCCAKB-UHFFFAOYSA-N 1 1 191.274 1.170 10 30 ADEEMO C=CC[N@H+](CCO[C@@H](C)C#N)C(C)C 801912881 582937444 /nfs/dbraw/zinc/93/74/44/582937444.db2.gz HJSWNEIEYOBHTL-NSHDSACASA-N 1 1 196.294 1.811 10 30 ADEEMO C=CCCC[N@H+](C)CCO[C@@H](C)C#N 801922490 582937487 /nfs/dbraw/zinc/93/74/87/582937487.db2.gz KBWFVYQZZVSCQO-NSHDSACASA-N 1 1 196.294 1.813 10 30 ADEEMO C=CC[N@H+](CCO[C@H](C)C#N)C(C)C 801912880 582937504 /nfs/dbraw/zinc/93/75/04/582937504.db2.gz HJSWNEIEYOBHTL-LLVKDONJSA-N 1 1 196.294 1.811 10 30 ADEEMO S[C@H]1C[C@H]2CCCC[N@H+]2C1 757160614 582947729 /nfs/dbraw/zinc/94/77/29/582947729.db2.gz PMZCCOQSAPHWJB-SFYZADRCSA-N 1 1 157.282 1.543 10 30 ADEEMO S[C@@H]1C[C@@H]2CCCC[N@H+]2C1 757160612 582947735 /nfs/dbraw/zinc/94/77/35/582947735.db2.gz PMZCCOQSAPHWJB-JGVFFNPUSA-N 1 1 157.282 1.543 10 30 ADEEMO S[C@@H]1C[C@H]2CCCC[N@H+]2C1 757160610 582947844 /nfs/dbraw/zinc/94/78/44/582947844.db2.gz PMZCCOQSAPHWJB-HTQZYQBOSA-N 1 1 157.282 1.543 10 30 ADEEMO S[C@H]1C[C@@H]2CCCC[N@H+]2C1 757160636 582948104 /nfs/dbraw/zinc/94/81/04/582948104.db2.gz PMZCCOQSAPHWJB-YUMQZZPRSA-N 1 1 157.282 1.543 10 30 ADEEMO C[NH+]1CCN(N=CCCC2CC2)CC1 807942729 582956540 /nfs/dbraw/zinc/95/65/40/582956540.db2.gz DXYVRAPPPORGQZ-UHFFFAOYSA-N 1 1 195.310 1.410 10 30 ADEEMO C#CC[N@H+](CC)CC1CCC(=O)CC1 809576477 582960697 /nfs/dbraw/zinc/96/06/97/582960697.db2.gz AQALTBBRMYLEIZ-UHFFFAOYSA-N 1 1 193.290 1.701 10 30 ADEEMO C[C@H]1C[C@@H](C)C[N@@H+](C[C@H](O)CC#N)C1 809571509 582960894 /nfs/dbraw/zinc/96/08/94/582960894.db2.gz UOMIHNDMUGQNOS-OUAUKWLOSA-N 1 1 196.294 1.239 10 30 ADEEMO C=CCCC[N@@H+](C)Cc1cnn(C)n1 809947863 582963168 /nfs/dbraw/zinc/96/31/68/582963168.db2.gz NUWAEHAZDAOADY-UHFFFAOYSA-N 1 1 194.282 1.213 10 30 ADEEMO C=CCCC[N@H+](C)Cc1cnn(C)n1 809947863 582963169 /nfs/dbraw/zinc/96/31/69/582963169.db2.gz NUWAEHAZDAOADY-UHFFFAOYSA-N 1 1 194.282 1.213 10 30 ADEEMO C#C[C@@H](C)[N@H+](C)Cc1oc(C)nc1C 809990165 582964318 /nfs/dbraw/zinc/96/43/18/582964318.db2.gz OGXQNWNAOFJOLW-MRVPVSSYSA-N 1 1 192.262 1.745 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)Cc1oc(C)nc1C 809990165 582964324 /nfs/dbraw/zinc/96/43/24/582964324.db2.gz OGXQNWNAOFJOLW-MRVPVSSYSA-N 1 1 192.262 1.745 10 30 ADEEMO C#C[C@H](C)[N@H+](C)Cc1oc(C)nc1C 809990166 582964435 /nfs/dbraw/zinc/96/44/35/582964435.db2.gz OGXQNWNAOFJOLW-QMMMGPOBSA-N 1 1 192.262 1.745 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)Cc1oc(C)nc1C 809990166 582964437 /nfs/dbraw/zinc/96/44/37/582964437.db2.gz OGXQNWNAOFJOLW-QMMMGPOBSA-N 1 1 192.262 1.745 10 30 ADEEMO C=C(C)CN=NC1CC[N@@H+](C)[C@H](C)C1 811651162 582967370 /nfs/dbraw/zinc/96/73/70/582967370.db2.gz JQVWHOUUKFWSJY-SNVBAGLBSA-N 1 1 195.310 1.622 10 30 ADEEMO C=C(C)CNN=C1CCC[N@H+](C)CC1 811650572 582967408 /nfs/dbraw/zinc/96/74/08/582967408.db2.gz GJPIYXAQJOKLLR-UHFFFAOYSA-N 1 1 195.310 1.624 10 30 ADEEMO C=C(C)CNN=C1CC[N@@H+](C)[C@@H](C)C1 811651161 582967846 /nfs/dbraw/zinc/96/78/46/582967846.db2.gz JQVWHOUUKFWSJY-JTQLQIEISA-N 1 1 195.310 1.622 10 30 ADEEMO C1CC(ON=C2CC[N@H+]3CCC[C@H]23)C1 812235015 582969453 /nfs/dbraw/zinc/96/94/53/582969453.db2.gz HRYKXFROELAJAW-LLVKDONJSA-N 1 1 194.278 1.780 10 30 ADEEMO C1C[C@@H]2C(=NOCC3CC3)CC[N@H+]2C1 814241012 582976034 /nfs/dbraw/zinc/97/60/34/582976034.db2.gz FBOYFGNPSSWIEN-LLVKDONJSA-N 1 1 194.278 1.637 10 30 ADEEMO C1C[C@H]2C(=NOCC3CC3)CC[N@H+]2C1 814241018 582976112 /nfs/dbraw/zinc/97/61/12/582976112.db2.gz FBOYFGNPSSWIEN-NSHDSACASA-N 1 1 194.278 1.637 10 30 ADEEMO C[C@H]1CC(=NN2CC[NH+](C)CC2)[C@@H]1C 814685307 582978760 /nfs/dbraw/zinc/97/87/60/582978760.db2.gz KEBJTUAOHYREIO-VHSXEESVSA-N 1 1 195.310 1.266 10 30 ADEEMO C[C@@H]1CC(=NN2CC[NH+](C)CC2)[C@@H]1C 814685305 582979296 /nfs/dbraw/zinc/97/92/96/582979296.db2.gz KEBJTUAOHYREIO-NXEZZACHSA-N 1 1 195.310 1.266 10 30 ADEEMO C[NH+]1CCN(N=C2CC(C)(C)C2)CC1 814685076 582978914 /nfs/dbraw/zinc/97/89/14/582978914.db2.gz HTKVEFVKTXRODN-UHFFFAOYSA-N 1 1 195.310 1.410 10 30 ADEEMO C[C@H]1CCC(=NN2CC[NH+](C)CC2)C1 814684829 582978922 /nfs/dbraw/zinc/97/89/22/582978922.db2.gz CIOHYGXXIOFOKY-JTQLQIEISA-N 1 1 195.310 1.410 10 30 ADEEMO CCC(=O)CC[N@H+](C)CC(C)(C)C#N 814668809 582978933 /nfs/dbraw/zinc/97/89/33/582978933.db2.gz DLZMDKKPDHRTEI-UHFFFAOYSA-N 1 1 196.294 1.837 10 30 ADEEMO CCC(=O)CC[N@@H+](C)CC(C)(C)C#N 814668809 582978935 /nfs/dbraw/zinc/97/89/35/582978935.db2.gz DLZMDKKPDHRTEI-UHFFFAOYSA-N 1 1 196.294 1.837 10 30 ADEEMO C[C@@H]1C(=NN2CC[NH+](C)CC2)C[C@H]1C 814685308 582978939 /nfs/dbraw/zinc/97/89/39/582978939.db2.gz KEBJTUAOHYREIO-ZJUUUORDSA-N 1 1 195.310 1.266 10 30 ADEEMO C[C@H]1CC(=NN2CC[NH+](C)CC2)[C@H]1C 814685306 582978961 /nfs/dbraw/zinc/97/89/61/582978961.db2.gz KEBJTUAOHYREIO-UWVGGRQHSA-N 1 1 195.310 1.266 10 30 ADEEMO C[C@@H]1CCC(=NN2CC[NH+](C)CC2)C1 814684832 582979156 /nfs/dbraw/zinc/97/91/56/582979156.db2.gz CIOHYGXXIOFOKY-SNVBAGLBSA-N 1 1 195.310 1.410 10 30 ADEEMO C#CC[N@@H+]1CCOC[C@H]1CC1CCC1 815292517 582983900 /nfs/dbraw/zinc/98/39/00/582983900.db2.gz QTYUCYXPUHJFDZ-GFCCVEGCSA-N 1 1 193.290 1.511 10 30 ADEEMO C#CC[N@H+]1CCOC[C@H]1CC1CCC1 815292517 582983901 /nfs/dbraw/zinc/98/39/01/582983901.db2.gz QTYUCYXPUHJFDZ-GFCCVEGCSA-N 1 1 193.290 1.511 10 30 ADEEMO C#C[C@@H](C)[N@H+](C)Cc1conc1C 816593416 582985671 /nfs/dbraw/zinc/98/56/71/582985671.db2.gz RAGIHNIEIUFYQV-MRVPVSSYSA-N 1 1 178.235 1.437 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)Cc1conc1C 816593416 582985673 /nfs/dbraw/zinc/98/56/73/582985673.db2.gz RAGIHNIEIUFYQV-MRVPVSSYSA-N 1 1 178.235 1.437 10 30 ADEEMO C#CC[N@@H+](CC)Cc1conc1C 816496818 582986069 /nfs/dbraw/zinc/98/60/69/582986069.db2.gz YOOYTBVWHLQKGP-UHFFFAOYSA-N 1 1 178.235 1.438 10 30 ADEEMO C#CC[N@H+](CC)Cc1conc1C 816496818 582986070 /nfs/dbraw/zinc/98/60/70/582986070.db2.gz YOOYTBVWHLQKGP-UHFFFAOYSA-N 1 1 178.235 1.438 10 30 ADEEMO C#C[C@H](C)[N@H+](C)Cc1conc1C 816593417 582986276 /nfs/dbraw/zinc/98/62/76/582986276.db2.gz RAGIHNIEIUFYQV-QMMMGPOBSA-N 1 1 178.235 1.437 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)Cc1conc1C 816593417 582986279 /nfs/dbraw/zinc/98/62/79/582986279.db2.gz RAGIHNIEIUFYQV-QMMMGPOBSA-N 1 1 178.235 1.437 10 30 ADEEMO C[C@@H]1C[N@H+](Cc2ccc(C#N)o2)[C@@H]1C 816647487 582988016 /nfs/dbraw/zinc/98/80/16/582988016.db2.gz SSCYMUMWIHBTLP-RKDXNWHRSA-N 1 1 190.246 1.991 10 30 ADEEMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)[C@@H]1C 816647487 582988020 /nfs/dbraw/zinc/98/80/20/582988020.db2.gz SSCYMUMWIHBTLP-RKDXNWHRSA-N 1 1 190.246 1.991 10 30 ADEEMO C[C@H]1[C@H](C)C[N@@H+]1Cc1ccc(C#N)o1 816647484 582988096 /nfs/dbraw/zinc/98/80/96/582988096.db2.gz SSCYMUMWIHBTLP-BDAKNGLRSA-N 1 1 190.246 1.991 10 30 ADEEMO C[C@H]1[C@H](C)C[N@H+]1Cc1ccc(C#N)o1 816647484 582988098 /nfs/dbraw/zinc/98/80/98/582988098.db2.gz SSCYMUMWIHBTLP-BDAKNGLRSA-N 1 1 190.246 1.991 10 30 ADEEMO C[C@H]1C[N@H+](Cc2ccc(C#N)o2)[C@H]1C 816647486 582988477 /nfs/dbraw/zinc/98/84/77/582988477.db2.gz SSCYMUMWIHBTLP-IUCAKERBSA-N 1 1 190.246 1.991 10 30 ADEEMO C[C@H]1C[N@@H+](Cc2ccc(C#N)o2)[C@H]1C 816647486 582988478 /nfs/dbraw/zinc/98/84/78/582988478.db2.gz SSCYMUMWIHBTLP-IUCAKERBSA-N 1 1 190.246 1.991 10 30 ADEEMO C[C@H]1C[N@H+](Cc2ccc(C#N)o2)[C@@H]1C 816647485 582988618 /nfs/dbraw/zinc/98/86/18/582988618.db2.gz SSCYMUMWIHBTLP-DTWKUNHWSA-N 1 1 190.246 1.991 10 30 ADEEMO C[C@H]1C[N@@H+](Cc2ccc(C#N)o2)[C@@H]1C 816647485 582988620 /nfs/dbraw/zinc/98/86/20/582988620.db2.gz SSCYMUMWIHBTLP-DTWKUNHWSA-N 1 1 190.246 1.991 10 30 ADEEMO C#CCC[N@@H+]1CC[C@H](O)CC12CCC2 817290923 582993602 /nfs/dbraw/zinc/99/36/02/582993602.db2.gz LGOVNIIVEQNKTD-NSHDSACASA-N 1 1 193.290 1.389 10 30 ADEEMO C#CCC[N@@H+]1CC[C@@H](O)CC12CCC2 817290922 582993623 /nfs/dbraw/zinc/99/36/23/582993623.db2.gz LGOVNIIVEQNKTD-LLVKDONJSA-N 1 1 193.290 1.389 10 30 ADEEMO C#CC(=O)Nc1cc(C)c2[nH+]ccn2c1 818044240 583002711 /nfs/dbraw/zinc/00/27/11/583002711.db2.gz IDNOEFOKJAQYMM-UHFFFAOYSA-N 1 1 199.213 1.214 10 30 ADEEMO CCO[NH+]=Cc1ccncc1N 819802774 583015446 /nfs/dbraw/zinc/01/54/46/583015446.db2.gz ACEBKCJVBYJJDL-UHFFFAOYSA-N 1 1 165.196 1.034 10 30 ADEEMO CC(C)O[NH+]=Cc1ccncc1N 819812397 583015869 /nfs/dbraw/zinc/01/58/69/583015869.db2.gz BSSBVMCWFNWGKD-UHFFFAOYSA-N 1 1 179.223 1.423 10 30 ADEEMO Nc1cnccc1C=[NH+]OCC1CC1 819813338 583016109 /nfs/dbraw/zinc/01/61/09/583016109.db2.gz NGPKYKAVSRMPAE-UHFFFAOYSA-N 1 1 191.234 1.424 10 30 ADEEMO Nc1cnccc1C=[NH+]OC1CCC1 819812243 583016371 /nfs/dbraw/zinc/01/63/71/583016371.db2.gz AQSCBCRKKJEYLH-UHFFFAOYSA-N 1 1 191.234 1.567 10 30 ADEEMO C#CC[N@H+](CC)[C@@H]1CC[C@H](OC)C1 821385499 583028713 /nfs/dbraw/zinc/02/87/13/583028713.db2.gz CNPFNZNMSPTWLM-MNOVXSKESA-N 1 1 181.279 1.509 10 30 ADEEMO C#CC[N@H+](CC)[C@@H]1CC[C@@H](OC)C1 821385498 583029036 /nfs/dbraw/zinc/02/90/36/583029036.db2.gz CNPFNZNMSPTWLM-GHMZBOCLSA-N 1 1 181.279 1.509 10 30 ADEEMO C#CC[N@H+](CC)[C@H]1CC[C@H](OC)C1 821385500 583029364 /nfs/dbraw/zinc/02/93/64/583029364.db2.gz CNPFNZNMSPTWLM-QWRGUYRKSA-N 1 1 181.279 1.509 10 30 ADEEMO C#CC[N@H+](CC)[C@H]1CC[C@@H](OC)C1 821385501 583029486 /nfs/dbraw/zinc/02/94/86/583029486.db2.gz CNPFNZNMSPTWLM-WDEREUQCSA-N 1 1 181.279 1.509 10 30 ADEEMO C#CCCC[N@H+]1Cc2cccnc2C1 822997095 583038535 /nfs/dbraw/zinc/03/85/35/583038535.db2.gz SORMZBJZLNOJRQ-UHFFFAOYSA-N 1 1 186.258 1.811 10 30 ADEEMO C#CCCC[N@@H+]1Cc2cccnc2C1 822997095 583038532 /nfs/dbraw/zinc/03/85/32/583038532.db2.gz SORMZBJZLNOJRQ-UHFFFAOYSA-N 1 1 186.258 1.811 10 30 ADEEMO C#CC(C)(C)[N@H+](C)C[C@@H](OC)C1CC1 822972499 583038843 /nfs/dbraw/zinc/03/88/43/583038843.db2.gz LMHYYPOOIHTNEC-LLVKDONJSA-N 1 1 195.306 1.755 10 30 ADEEMO C#CC(C)(C)[N@H+](C)C[C@H](OC)C1CC1 822972501 583038960 /nfs/dbraw/zinc/03/89/60/583038960.db2.gz LMHYYPOOIHTNEC-NSHDSACASA-N 1 1 195.306 1.755 10 30 ADEEMO C#CCCC[N@@H+]1CCN(C)C[C@@H]1CC 823194223 583039535 /nfs/dbraw/zinc/03/95/35/583039535.db2.gz COJAJIMIPXXOIG-LBPRGKRZSA-N 1 1 194.322 1.426 10 30 ADEEMO C#CCCC[N@@H+]1CCN(C)C[C@H]1CC 823194222 583039589 /nfs/dbraw/zinc/03/95/89/583039589.db2.gz COJAJIMIPXXOIG-GFCCVEGCSA-N 1 1 194.322 1.426 10 30 ADEEMO C#CCN(CC)Cc1c[nH+]c(C)n1C 824626796 583045532 /nfs/dbraw/zinc/04/55/32/583045532.db2.gz CVWHRLIJIXHPRN-UHFFFAOYSA-N 1 1 191.278 1.184 10 30 ADEEMO C#CC[N@@H+](CC)Cc1cnc(C)n1C 824626796 583045535 /nfs/dbraw/zinc/04/55/35/583045535.db2.gz CVWHRLIJIXHPRN-UHFFFAOYSA-N 1 1 191.278 1.184 10 30 ADEEMO C#CC[N@H+](CC)Cc1cnc(C)n1C 824626796 583045538 /nfs/dbraw/zinc/04/55/38/583045538.db2.gz CVWHRLIJIXHPRN-UHFFFAOYSA-N 1 1 191.278 1.184 10 30 ADEEMO C#C[C@@H](C)N(C)Cc1c[nH+]c(C)n1C 825709771 583048784 /nfs/dbraw/zinc/04/87/84/583048784.db2.gz AQXYNFOBZURZBY-SECBINFHSA-N 1 1 191.278 1.182 10 30 ADEEMO C#C[C@@H](C)[N@H+](C)Cc1cnc(C)n1C 825709771 583048786 /nfs/dbraw/zinc/04/87/86/583048786.db2.gz AQXYNFOBZURZBY-SECBINFHSA-N 1 1 191.278 1.182 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)Cc1cnc(C)n1C 825709771 583048788 /nfs/dbraw/zinc/04/87/88/583048788.db2.gz AQXYNFOBZURZBY-SECBINFHSA-N 1 1 191.278 1.182 10 30 ADEEMO C#C[C@H](C)N(C)Cc1c[nH+]c(C)n1C 825709773 583048979 /nfs/dbraw/zinc/04/89/79/583048979.db2.gz AQXYNFOBZURZBY-VIFPVBQESA-N 1 1 191.278 1.182 10 30 ADEEMO C#C[C@H](C)[N@H+](C)Cc1cnc(C)n1C 825709773 583048981 /nfs/dbraw/zinc/04/89/81/583048981.db2.gz AQXYNFOBZURZBY-VIFPVBQESA-N 1 1 191.278 1.182 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)Cc1cnc(C)n1C 825709773 583048983 /nfs/dbraw/zinc/04/89/83/583048983.db2.gz AQXYNFOBZURZBY-VIFPVBQESA-N 1 1 191.278 1.182 10 30 ADEEMO C=CC[N@H+](CC[C@H](C)O)C(C)C 827437853 583054320 /nfs/dbraw/zinc/05/43/20/583054320.db2.gz CRVVRWHUARXTJX-JTQLQIEISA-N 1 1 171.284 1.654 10 30 ADEEMO C=CC[N@H+](CC[C@@H](C)O)C(C)C 827437854 583054328 /nfs/dbraw/zinc/05/43/28/583054328.db2.gz CRVVRWHUARXTJX-SNVBAGLBSA-N 1 1 171.284 1.654 10 30 ADEEMO N#Cc1cnccc1C[N@@H+]1CC[C@H]2C[C@H]21 828103267 583056811 /nfs/dbraw/zinc/05/68/11/583056811.db2.gz GRIIRFFFHVWTFV-JOYOIKCWSA-N 1 1 199.257 1.547 10 30 ADEEMO N#Cc1cnccc1C[N@H+]1CC[C@H]2C[C@H]21 828103267 583056813 /nfs/dbraw/zinc/05/68/13/583056813.db2.gz GRIIRFFFHVWTFV-JOYOIKCWSA-N 1 1 199.257 1.547 10 30 ADEEMO N#Cc1cnccc1C[N@H+]1CC[C@@H]2C[C@@H]21 828103268 583056944 /nfs/dbraw/zinc/05/69/44/583056944.db2.gz GRIIRFFFHVWTFV-SKDRFNHKSA-N 1 1 199.257 1.547 10 30 ADEEMO N#Cc1cnccc1C[N@@H+]1CC[C@@H]2C[C@@H]21 828103268 583056940 /nfs/dbraw/zinc/05/69/40/583056940.db2.gz GRIIRFFFHVWTFV-SKDRFNHKSA-N 1 1 199.257 1.547 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)CCc1cscn1 829282900 583061739 /nfs/dbraw/zinc/06/17/39/583061739.db2.gz DPFWMPAUDXRSRH-VIFPVBQESA-N 1 1 194.303 1.639 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)CCC[C@@H]1CCOC1 828434005 583058478 /nfs/dbraw/zinc/05/84/78/583058478.db2.gz JGOPCGJNGUKVMH-NWDGAFQWSA-N 1 1 195.306 1.757 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)CCC[C@H]1CCOC1 828434006 583058124 /nfs/dbraw/zinc/05/81/24/583058124.db2.gz JGOPCGJNGUKVMH-RYUDHWBXSA-N 1 1 195.306 1.757 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)CCC[C@@H]1CCOC1 828434007 583058581 /nfs/dbraw/zinc/05/85/81/583058581.db2.gz JGOPCGJNGUKVMH-VXGBXAGGSA-N 1 1 195.306 1.757 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)CCC[C@H]1CCOC1 828434004 583058717 /nfs/dbraw/zinc/05/87/17/583058717.db2.gz JGOPCGJNGUKVMH-NEPJUHHUSA-N 1 1 195.306 1.757 10 30 ADEEMO C#CC[N@@H+](C)CCC[C@@H]1CCOC1 828415244 583058987 /nfs/dbraw/zinc/05/89/87/583058987.db2.gz NCWLFTZFLYYIIZ-LLVKDONJSA-N 1 1 181.279 1.368 10 30 ADEEMO C#C[C@@H](C)[N@H+](C)CCC(=O)CC(C)C 828433859 583059157 /nfs/dbraw/zinc/05/91/57/583059157.db2.gz DLSWMLWENNSSFU-LLVKDONJSA-N 1 1 195.306 1.945 10 30 ADEEMO C=CCCCC[N@H+](C)[C@H](C)C(N)=O 828620921 583059683 /nfs/dbraw/zinc/05/96/83/583059683.db2.gz VQSGDVQGXKREQF-SECBINFHSA-N 1 1 184.283 1.148 10 30 ADEEMO C#CC[N@@H+](C)CCC[C@H]1CCOC1 828415245 583059195 /nfs/dbraw/zinc/05/91/95/583059195.db2.gz NCWLFTZFLYYIIZ-NSHDSACASA-N 1 1 181.279 1.368 10 30 ADEEMO C#C[C@H](C)[N@H+](C)CCC(=O)CC(C)C 828433860 583059441 /nfs/dbraw/zinc/05/94/41/583059441.db2.gz DLSWMLWENNSSFU-NSHDSACASA-N 1 1 195.306 1.945 10 30 ADEEMO C=CCCCC[N@H+](C)[C@@H](C)C(N)=O 828620927 583060124 /nfs/dbraw/zinc/06/01/24/583060124.db2.gz VQSGDVQGXKREQF-VIFPVBQESA-N 1 1 184.283 1.148 10 30 ADEEMO C#CC[N@H+](C)C[C@@H]1CCC(F)(F)C1 829159774 583061702 /nfs/dbraw/zinc/06/17/02/583061702.db2.gz XGJNWLGJZIBBJZ-SECBINFHSA-N 1 1 187.233 1.987 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)CC1CC(F)(F)C1 829282841 583061736 /nfs/dbraw/zinc/06/17/36/583061736.db2.gz CRRNORRNOYNNQF-QMMMGPOBSA-N 1 1 187.233 1.985 10 30 ADEEMO C#CC[N@H+](C)C1CC(OC(C)(C)C)C1 829159616 583061787 /nfs/dbraw/zinc/06/17/87/583061787.db2.gz UYVQMINIQLJDHK-UHFFFAOYSA-N 1 1 195.306 1.898 10 30 ADEEMO C#C[C@@H](C)[N@H+](C)CCCC(=O)CC 829282835 583061803 /nfs/dbraw/zinc/06/18/03/583061803.db2.gz COHXHNVOSFLKQD-SNVBAGLBSA-N 1 1 181.279 1.699 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)CC1CCC(=O)CC1 829283029 583061850 /nfs/dbraw/zinc/06/18/50/583061850.db2.gz HTWVEQLZEAWGGE-SNVBAGLBSA-N 1 1 193.290 1.699 10 30 ADEEMO C#CC[N@@H+]1CCC[C@@](C)(F)C1 830206641 583065893 /nfs/dbraw/zinc/06/58/93/583065893.db2.gz RMXDNOQANNWOKE-SECBINFHSA-N 1 1 155.216 1.444 10 30 ADEEMO C#CC[N@H+](C)C[C@H]1CCC(F)(F)C1 829159777 583062318 /nfs/dbraw/zinc/06/23/18/583062318.db2.gz XGJNWLGJZIBBJZ-VIFPVBQESA-N 1 1 187.233 1.987 10 30 ADEEMO C#C[C@H](C)[N@H+](C)CCCC(=O)CC 829282834 583062340 /nfs/dbraw/zinc/06/23/40/583062340.db2.gz COHXHNVOSFLKQD-JTQLQIEISA-N 1 1 181.279 1.699 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)CC1CCC(=O)CC1 829283028 583062357 /nfs/dbraw/zinc/06/23/57/583062357.db2.gz HTWVEQLZEAWGGE-JTQLQIEISA-N 1 1 193.290 1.699 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)CCc1cscn1 829282899 583062392 /nfs/dbraw/zinc/06/23/92/583062392.db2.gz DPFWMPAUDXRSRH-SECBINFHSA-N 1 1 194.303 1.639 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)CC1CC(F)(F)C1 829282840 583062426 /nfs/dbraw/zinc/06/24/26/583062426.db2.gz CRRNORRNOYNNQF-MRVPVSSYSA-N 1 1 187.233 1.985 10 30 ADEEMO C#CC[C@H]1CCC[N@H+](CC#CC)C1 829785374 583063541 /nfs/dbraw/zinc/06/35/41/583063541.db2.gz VEOKUIVMHUMQSO-LBPRGKRZSA-N 1 1 175.275 1.745 10 30 ADEEMO C#CC[C@@H]1CCC[N@H+](CC#CC)C1 829785373 583063558 /nfs/dbraw/zinc/06/35/58/583063558.db2.gz VEOKUIVMHUMQSO-GFCCVEGCSA-N 1 1 175.275 1.745 10 30 ADEEMO C#CC[C@H]1CCC[N@H+](CCOC)C1 829768820 583063697 /nfs/dbraw/zinc/06/36/97/583063697.db2.gz KPGMRFCKXVGYIM-NSHDSACASA-N 1 1 181.279 1.368 10 30 ADEEMO C#CC[C@@H]1CCC[N@H+](CCOC)C1 829768819 583063702 /nfs/dbraw/zinc/06/37/02/583063702.db2.gz KPGMRFCKXVGYIM-LLVKDONJSA-N 1 1 181.279 1.368 10 30 ADEEMO C#CC[C@@H]1CCC[N@H+](CC=C)C1 829768756 583063832 /nfs/dbraw/zinc/06/38/32/583063832.db2.gz JSLHIUDOSSMTEM-LLVKDONJSA-N 1 1 163.264 1.908 10 30 ADEEMO C#CC[C@H]1CCC[N@H+](CC=C)C1 829768762 583064020 /nfs/dbraw/zinc/06/40/20/583064020.db2.gz JSLHIUDOSSMTEM-NSHDSACASA-N 1 1 163.264 1.908 10 30 ADEEMO C#CC[N@H+]1CCC[C@@](C)(F)C1 830206641 583065889 /nfs/dbraw/zinc/06/58/89/583065889.db2.gz RMXDNOQANNWOKE-SECBINFHSA-N 1 1 155.216 1.444 10 30 ADEEMO COCC#CC[N@@H+]1CCC[C@@](C)(F)C1 830212747 583065952 /nfs/dbraw/zinc/06/59/52/583065952.db2.gz UWNCSRYMIWIPSP-LLVKDONJSA-N 1 1 199.269 1.460 10 30 ADEEMO COCC#CC[N@H+]1CCC[C@@](C)(F)C1 830212747 583065954 /nfs/dbraw/zinc/06/59/54/583065954.db2.gz UWNCSRYMIWIPSP-LLVKDONJSA-N 1 1 199.269 1.460 10 30 ADEEMO COCC#CC[N@@H+]1CCC[C@](C)(F)C1 830212748 583066144 /nfs/dbraw/zinc/06/61/44/583066144.db2.gz UWNCSRYMIWIPSP-NSHDSACASA-N 1 1 199.269 1.460 10 30 ADEEMO COCC#CC[N@H+]1CCC[C@](C)(F)C1 830212748 583066147 /nfs/dbraw/zinc/06/61/47/583066147.db2.gz UWNCSRYMIWIPSP-NSHDSACASA-N 1 1 199.269 1.460 10 30 ADEEMO C#CC[N@H+]1CCC[C@](C)(F)C1 830206642 583066401 /nfs/dbraw/zinc/06/64/01/583066401.db2.gz RMXDNOQANNWOKE-VIFPVBQESA-N 1 1 155.216 1.444 10 30 ADEEMO C#CC[N@@H+]1CCC[C@](C)(F)C1 830206642 583066402 /nfs/dbraw/zinc/06/64/02/583066402.db2.gz RMXDNOQANNWOKE-VIFPVBQESA-N 1 1 155.216 1.444 10 30 ADEEMO C#CC[N@H+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 831000989 583071260 /nfs/dbraw/zinc/07/12/60/583071260.db2.gz LYEGEZBHCUNMBQ-VOAKCMCISA-N 1 1 187.286 1.764 10 30 ADEEMO C#CCC[N@@H+](CC)CCSC 830998916 583071776 /nfs/dbraw/zinc/07/17/76/583071776.db2.gz ALUPOLMYUXFMJB-UHFFFAOYSA-N 1 1 171.309 1.695 10 30 ADEEMO C#CC[N@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 831000990 583071883 /nfs/dbraw/zinc/07/18/83/583071883.db2.gz LYEGEZBHCUNMBQ-XQHKEYJVSA-N 1 1 187.286 1.764 10 30 ADEEMO C=CCC[N@@H+]1CC[C@@](O)(C(F)F)C1 831170847 583072300 /nfs/dbraw/zinc/07/23/00/583072300.db2.gz YWCOWKCXIOQYLM-VIFPVBQESA-N 1 1 191.221 1.264 10 30 ADEEMO C=CCC[N@@H+]1CC[C@](O)(C(F)F)C1 831170837 583072341 /nfs/dbraw/zinc/07/23/41/583072341.db2.gz YWCOWKCXIOQYLM-SECBINFHSA-N 1 1 191.221 1.264 10 30 ADEEMO C#CCC[N@@H+]1CC[C@H](OC)C(C)(C)C1 831546876 583074254 /nfs/dbraw/zinc/07/42/54/583074254.db2.gz BSRHUEATCXQSJH-NSHDSACASA-N 1 1 195.306 1.757 10 30 ADEEMO C#CCC[N@@H+]1CC[C@@H](OC)C(C)(C)C1 831546875 583074852 /nfs/dbraw/zinc/07/48/52/583074852.db2.gz BSRHUEATCXQSJH-LLVKDONJSA-N 1 1 195.306 1.757 10 30 ADEEMO C#CCC[N@H+]1CCSC[C@@H]1C1CC1 831777880 583075297 /nfs/dbraw/zinc/07/52/97/583075297.db2.gz GOJUNRBZUVLUSG-LLVKDONJSA-N 1 1 195.331 1.837 10 30 ADEEMO C#CCC[N@H+]1CCSC[C@H]1C1CC1 831777881 583075805 /nfs/dbraw/zinc/07/58/05/583075805.db2.gz GOJUNRBZUVLUSG-NSHDSACASA-N 1 1 195.331 1.837 10 30 ADEEMO C#CC[N@H+]1CCOCC12CCCCC2 832175196 583076702 /nfs/dbraw/zinc/07/67/02/583076702.db2.gz NVRCWNGQHFEQQM-UHFFFAOYSA-N 1 1 193.290 1.655 10 30 ADEEMO C#CC[N@H+]1CCC[C@]2(CCOC2)C1 832337119 583077804 /nfs/dbraw/zinc/07/78/04/583077804.db2.gz JOKKWENZFCLEAG-NSHDSACASA-N 1 1 179.263 1.122 10 30 ADEEMO C#CCC[N@H+]1CCC[C@]2(CCOC2)C1 832348743 583077818 /nfs/dbraw/zinc/07/78/18/583077818.db2.gz QZJNAGGYXNILPP-LBPRGKRZSA-N 1 1 193.290 1.512 10 30 ADEEMO C#CC[N@H+]1CCC[C@@]2(CCOC2)C1 832337118 583078204 /nfs/dbraw/zinc/07/82/04/583078204.db2.gz JOKKWENZFCLEAG-LLVKDONJSA-N 1 1 179.263 1.122 10 30 ADEEMO C#CCC[N@H+]1CCC[C@@]2(CCOC2)C1 832348742 583078280 /nfs/dbraw/zinc/07/82/80/583078280.db2.gz QZJNAGGYXNILPP-GFCCVEGCSA-N 1 1 193.290 1.512 10 30 ADEEMO C#CC[N@H+]1CCC[C@@]2(CCSC2)C1 832505333 583078624 /nfs/dbraw/zinc/07/86/24/583078624.db2.gz FIKYERHTDITDAX-LLVKDONJSA-N 1 1 195.331 1.839 10 30 ADEEMO C#CC[N@H+]1CCC[C@]2(CCSC2)C1 832505337 583078702 /nfs/dbraw/zinc/07/87/02/583078702.db2.gz FIKYERHTDITDAX-NSHDSACASA-N 1 1 195.331 1.839 10 30 ADEEMO C#CCC[N@@H+]1CCC[C@@H](COC)CC1 832746381 583079626 /nfs/dbraw/zinc/07/96/26/583079626.db2.gz UEDVUHNGRDXTOW-GFCCVEGCSA-N 1 1 195.306 1.758 10 30 ADEEMO C#CC[N@@H+]1CCC[C@@H](COC)CC1 832739827 583079847 /nfs/dbraw/zinc/07/98/47/583079847.db2.gz QVCNSJUDORLNCS-LLVKDONJSA-N 1 1 181.279 1.368 10 30 ADEEMO C#CCC[N@@H+]1CCC[C@H](COC)CC1 832746382 583079960 /nfs/dbraw/zinc/07/99/60/583079960.db2.gz UEDVUHNGRDXTOW-LBPRGKRZSA-N 1 1 195.306 1.758 10 30 ADEEMO C#CC[N@@H+]1CCC[C@H](COC)CC1 832739828 583079963 /nfs/dbraw/zinc/07/99/63/583079963.db2.gz QVCNSJUDORLNCS-NSHDSACASA-N 1 1 181.279 1.368 10 30 ADEEMO FC1(F)CC1=C[NH2+]Nc1ccncc1 834973973 583089452 /nfs/dbraw/zinc/08/94/52/583089452.db2.gz QITQJBOPZBFNAZ-SSDOTTSWSA-N 1 1 197.188 1.556 10 30 ADEEMO FC1(F)CC1=C[NH2+]Nc1ccncc1 834973974 583089698 /nfs/dbraw/zinc/08/96/98/583089698.db2.gz QITQJBOPZBFNAZ-ZETCQYMHSA-N 1 1 197.188 1.556 10 30 ADEEMO CC(C)O[NH+]=Cc1cccnc1N 834999523 583090868 /nfs/dbraw/zinc/09/08/68/583090868.db2.gz CRGHIDOVDLLWQF-UHFFFAOYSA-N 1 1 179.223 1.423 10 30 ADEEMO CC(C)ON=C1C[N@H+](C2CC2)C[C@H]1C 834999532 583090957 /nfs/dbraw/zinc/09/09/57/583090957.db2.gz CTFCPIGTFNSFFL-SECBINFHSA-N 1 1 196.294 1.882 10 30 ADEEMO CC(C)O[NH+]=Cc1ccc(N)nc1 834999472 583090976 /nfs/dbraw/zinc/09/09/76/583090976.db2.gz BFJNEMSUDZAUKT-UHFFFAOYSA-N 1 1 179.223 1.423 10 30 ADEEMO CC(C)ON=C1C[N@H+](C2CC2)C[C@@H]1C 834999534 583091038 /nfs/dbraw/zinc/09/10/38/583091038.db2.gz CTFCPIGTFNSFFL-VIFPVBQESA-N 1 1 196.294 1.882 10 30 ADEEMO C=CCON=C1CC[N@H+](CC)C[C@@H]1C 835015073 583093966 /nfs/dbraw/zinc/09/39/66/583093966.db2.gz DVSLEIIKYPXHON-JTQLQIEISA-N 1 1 196.294 1.907 10 30 ADEEMO C=CCON=C1CC[N@H+](CC)C[C@H]1C 835015075 583094257 /nfs/dbraw/zinc/09/42/57/583094257.db2.gz DVSLEIIKYPXHON-SNVBAGLBSA-N 1 1 196.294 1.907 10 30 ADEEMO C=CC[N@@H+](C)Cc1ccc(C)nn1 840937034 583111263 /nfs/dbraw/zinc/11/12/63/583111263.db2.gz DRISNNZWCYDCLB-UHFFFAOYSA-N 1 1 177.251 1.403 10 30 ADEEMO C=CC[N@H+](C)Cc1ccc(C)nn1 840937034 583111264 /nfs/dbraw/zinc/11/12/64/583111264.db2.gz DRISNNZWCYDCLB-UHFFFAOYSA-N 1 1 177.251 1.403 10 30 ADEEMO C=CC[N@@H+](C)Cc1cc(C)nn1C 841871334 583118209 /nfs/dbraw/zinc/11/82/09/583118209.db2.gz CDICYPIBKSMMOL-UHFFFAOYSA-N 1 1 179.267 1.346 10 30 ADEEMO C=CC[N@H+](C)Cc1cc(C)nn1C 841871334 583118211 /nfs/dbraw/zinc/11/82/11/583118211.db2.gz CDICYPIBKSMMOL-UHFFFAOYSA-N 1 1 179.267 1.346 10 30 ADEEMO C#CC[N@@H+](CC)Cc1cc(C)nn1C 841835389 583118698 /nfs/dbraw/zinc/11/86/98/583118698.db2.gz CHDXVEZWOOXKEZ-UHFFFAOYSA-N 1 1 191.278 1.184 10 30 ADEEMO C#CC[N@H+](CC)Cc1cc(C)nn1C 841835389 583118701 /nfs/dbraw/zinc/11/87/01/583118701.db2.gz CHDXVEZWOOXKEZ-UHFFFAOYSA-N 1 1 191.278 1.184 10 30 ADEEMO C#CC(C)(C)[N@H+](C)C[C@@H](CC)OC 842155739 583121368 /nfs/dbraw/zinc/12/13/68/583121368.db2.gz DKBKDVWYAVQMMU-SNVBAGLBSA-N 1 1 183.295 1.755 10 30 ADEEMO C#CC[N@@H+](CC#CC)C[C@H](CC)OC 842149624 583121438 /nfs/dbraw/zinc/12/14/38/583121438.db2.gz COXJHZFOEGYMGG-LBPRGKRZSA-N 1 1 193.290 1.370 10 30 ADEEMO C#CC[N@@H+](CC#CC)C[C@@H](CC)OC 842149623 583121545 /nfs/dbraw/zinc/12/15/45/583121545.db2.gz COXJHZFOEGYMGG-GFCCVEGCSA-N 1 1 193.290 1.370 10 30 ADEEMO C#CC(C)(C)[N@H+](C)C[C@H](CC)OC 842155738 583121873 /nfs/dbraw/zinc/12/18/73/583121873.db2.gz DKBKDVWYAVQMMU-JTQLQIEISA-N 1 1 183.295 1.755 10 30 ADEEMO CCCON=C1C[N@@H+](C)C[C@@H]1C 842555360 583127417 /nfs/dbraw/zinc/12/74/17/583127417.db2.gz BJFLQOZEJUVWBR-QMMMGPOBSA-N 1 1 170.256 1.351 10 30 ADEEMO C[C@H]1CC(=NNC23CC(C2)C3)C[N@@H+]1C 842546351 583126222 /nfs/dbraw/zinc/12/62/22/583126222.db2.gz RECWPVVLGJOZLP-SILCLGDVSA-N 1 1 193.294 1.209 10 30 ADEEMO C[C@H]1CC(=NNC23CC(C2)C3)C[N@H+]1C 842546351 583126225 /nfs/dbraw/zinc/12/62/25/583126225.db2.gz RECWPVVLGJOZLP-SILCLGDVSA-N 1 1 193.294 1.209 10 30 ADEEMO C[C@@H]1CC(=NNC23CC(C2)C3)C[N@@H+]1C 842546348 583126306 /nfs/dbraw/zinc/12/63/06/583126306.db2.gz RECWPVVLGJOZLP-FKTRJACZSA-N 1 1 193.294 1.209 10 30 ADEEMO C[C@@H]1CC(=NNC23CC(C2)C3)C[N@H+]1C 842546348 583126308 /nfs/dbraw/zinc/12/63/08/583126308.db2.gz RECWPVVLGJOZLP-FKTRJACZSA-N 1 1 193.294 1.209 10 30 ADEEMO CCCON=C1C[N@@H+](C)C[C@H]1C 842555342 583126846 /nfs/dbraw/zinc/12/68/46/583126846.db2.gz BJFLQOZEJUVWBR-MRVPVSSYSA-N 1 1 170.256 1.351 10 30 ADEEMO CCCO[NH+]=Cc1ccncc1N 842555580 583127137 /nfs/dbraw/zinc/12/71/37/583127137.db2.gz PGGOFPXLENRZLL-UHFFFAOYSA-N 1 1 179.223 1.424 10 30 ADEEMO C=CCCc1noc([C@H](C)[NH3+])n1 843237499 583132393 /nfs/dbraw/zinc/13/23/93/583132393.db2.gz DFBMHJDLSPWUOF-LURJTMIESA-N 1 1 167.212 1.208 10 30 ADEEMO C=CCCc1noc([C@@H](C)[NH3+])n1 843237500 583132527 /nfs/dbraw/zinc/13/25/27/583132527.db2.gz DFBMHJDLSPWUOF-ZCFIWIBFSA-N 1 1 167.212 1.208 10 30 ADEEMO C#CC1CC[NH+](Cc2cocn2)CC1 843427065 583132720 /nfs/dbraw/zinc/13/27/20/583132720.db2.gz SYNHSVGWRLVUSL-UHFFFAOYSA-N 1 1 190.246 1.520 10 30 ADEEMO C=CCN(C[C@H]1CCC[N@H+]1C)C(C)C 844276127 583139808 /nfs/dbraw/zinc/13/98/08/583139808.db2.gz AUNFXQSJGLIIGH-GFCCVEGCSA-N 1 1 196.338 1.977 10 30 ADEEMO C=CC[N@H+](C[C@H]1CCCN1C)C(C)C 844276127 583139813 /nfs/dbraw/zinc/13/98/13/583139813.db2.gz AUNFXQSJGLIIGH-GFCCVEGCSA-N 1 1 196.338 1.977 10 30 ADEEMO C=CC[N@@H+](C[C@H]1CCCN1C)C(C)C 844276127 583139817 /nfs/dbraw/zinc/13/98/17/583139817.db2.gz AUNFXQSJGLIIGH-GFCCVEGCSA-N 1 1 196.338 1.977 10 30 ADEEMO C#C[C@H](C)N(C)C[C@H]1CCC[N@H+]1C 844323375 583140357 /nfs/dbraw/zinc/14/03/57/583140357.db2.gz GLSJOJSFDKYUJV-WDEREUQCSA-N 1 1 180.295 1.034 10 30 ADEEMO C#CCC[N@@H+]1C[C@H](C)OCC12CCC2 844421725 583141889 /nfs/dbraw/zinc/14/18/89/583141889.db2.gz IOOCCQNRUWCKBP-NSHDSACASA-N 1 1 193.290 1.653 10 30 ADEEMO C#CCN(C[C@H]1CCC[N@@H+]1C)C1CC1 844315749 583140364 /nfs/dbraw/zinc/14/03/64/583140364.db2.gz BGVFOBMWYKZYIY-GFCCVEGCSA-N 1 1 192.306 1.178 10 30 ADEEMO C#CC(C)(C)N(C)C[C@@H]1CCC[N@H+]1C 844321986 583140411 /nfs/dbraw/zinc/14/04/11/583140411.db2.gz WZMDTAXFXJYHDK-NSHDSACASA-N 1 1 194.322 1.424 10 30 ADEEMO C#CC(C)(C)[N@@H+](C)C[C@@H]1CCCN1C 844321986 583140414 /nfs/dbraw/zinc/14/04/14/583140414.db2.gz WZMDTAXFXJYHDK-NSHDSACASA-N 1 1 194.322 1.424 10 30 ADEEMO C#CC(C)(C)[N@H+](C)C[C@@H]1CCCN1C 844321986 583140416 /nfs/dbraw/zinc/14/04/16/583140416.db2.gz WZMDTAXFXJYHDK-NSHDSACASA-N 1 1 194.322 1.424 10 30 ADEEMO C#C[C@H](C)N(C)C[C@@H]1CCC[N@H+]1C 844323372 583140665 /nfs/dbraw/zinc/14/06/65/583140665.db2.gz GLSJOJSFDKYUJV-QWRGUYRKSA-N 1 1 180.295 1.034 10 30 ADEEMO C#C[C@@H](C)N(C)C[C@H]1CCC[N@H+]1C 844323367 583140679 /nfs/dbraw/zinc/14/06/79/583140679.db2.gz GLSJOJSFDKYUJV-GHMZBOCLSA-N 1 1 180.295 1.034 10 30 ADEEMO C#C[C@@H](C)N(C)C[C@@H]1CCC[N@H+]1C 844323369 583141081 /nfs/dbraw/zinc/14/10/81/583141081.db2.gz GLSJOJSFDKYUJV-MNOVXSKESA-N 1 1 180.295 1.034 10 30 ADEEMO C#CC[N@@H+]1CCC[C@]2(C1)CC2(F)F 844437213 583141212 /nfs/dbraw/zinc/14/12/12/583141212.db2.gz UAGGJDZUBSRNGQ-SECBINFHSA-N 1 1 185.217 1.741 10 30 ADEEMO C#CCCC[N@H+](C)[C@@H](C)CCO 844448386 583141414 /nfs/dbraw/zinc/14/14/14/583141414.db2.gz DRPFJVQXEBUEMX-JTQLQIEISA-N 1 1 169.268 1.103 10 30 ADEEMO C#CC[N@@H+]1CCC[C@@]2(C1)CC2(F)F 844437225 583141481 /nfs/dbraw/zinc/14/14/81/583141481.db2.gz UAGGJDZUBSRNGQ-VIFPVBQESA-N 1 1 185.217 1.741 10 30 ADEEMO C=C(C)C[N@@H+]1C[C@@H]2[C@H](C1)C2(F)F 844449002 583141525 /nfs/dbraw/zinc/14/15/25/583141525.db2.gz CLAVWKMQTNRULZ-OCAPTIKFSA-N 1 1 173.206 1.759 10 30 ADEEMO C#CC[N@H+]1C[C@H](C)OCC12CCC2 844422823 583141555 /nfs/dbraw/zinc/14/15/55/583141555.db2.gz QORYLSGKHXYIJP-JTQLQIEISA-N 1 1 179.263 1.263 10 30 ADEEMO C#CC[N@@H+]1C[C@H](C)OCC12CCC2 844422823 583141557 /nfs/dbraw/zinc/14/15/57/583141557.db2.gz QORYLSGKHXYIJP-JTQLQIEISA-N 1 1 179.263 1.263 10 30 ADEEMO CC#CC[N@@H+]1C[C@@H]2[C@H](C1)C2(F)F 844449189 583141636 /nfs/dbraw/zinc/14/16/36/583141636.db2.gz FIMNOLHSIXRPKG-OCAPTIKFSA-N 1 1 171.190 1.207 10 30 ADEEMO C#CCCC[N@H+](C)[C@H](C)CCO 844448387 583141673 /nfs/dbraw/zinc/14/16/73/583141673.db2.gz DRPFJVQXEBUEMX-SNVBAGLBSA-N 1 1 169.268 1.103 10 30 ADEEMO C#CC[N@H+]1C[C@@H](C)OCC12CCC2 844422824 583142127 /nfs/dbraw/zinc/14/21/27/583142127.db2.gz QORYLSGKHXYIJP-SNVBAGLBSA-N 1 1 179.263 1.263 10 30 ADEEMO C#CC[N@@H+]1C[C@@H](C)OCC12CCC2 844422824 583142129 /nfs/dbraw/zinc/14/21/29/583142129.db2.gz QORYLSGKHXYIJP-SNVBAGLBSA-N 1 1 179.263 1.263 10 30 ADEEMO C#CCC[N@@H+]1C[C@@H](C)OCC12CCC2 844421724 583142163 /nfs/dbraw/zinc/14/21/63/583142163.db2.gz IOOCCQNRUWCKBP-LLVKDONJSA-N 1 1 193.290 1.653 10 30 ADEEMO C#CCC[N@@H+]1CC[C@@]2(C1)CC2(F)F 844470026 583142366 /nfs/dbraw/zinc/14/23/66/583142366.db2.gz GJHFEHBWDIHTAC-VIFPVBQESA-N 1 1 185.217 1.741 10 30 ADEEMO C#CCC[N@@H+]1CC[C@]2(C1)CC2(F)F 844470025 583142421 /nfs/dbraw/zinc/14/24/21/583142421.db2.gz GJHFEHBWDIHTAC-SECBINFHSA-N 1 1 185.217 1.741 10 30 ADEEMO C#CC[N@@H+]1CC[C@]2(C1)CC2(F)F 844472018 583142961 /nfs/dbraw/zinc/14/29/61/583142961.db2.gz VCPFVUUOULLLBH-MRVPVSSYSA-N 1 1 171.190 1.351 10 30 ADEEMO C#CC[N@@H+]1CC[C@@]2(C1)CC2(F)F 844472021 583142866 /nfs/dbraw/zinc/14/28/66/583142866.db2.gz VCPFVUUOULLLBH-QMMMGPOBSA-N 1 1 171.190 1.351 10 30 ADEEMO C=C[C@H](C)ON=C1C[C@H](C)[N@@H+](C)C1 844621479 583146194 /nfs/dbraw/zinc/14/61/94/583146194.db2.gz HWPKOHFTTRBMQV-IUCAKERBSA-N 1 1 182.267 1.658 10 30 ADEEMO C=C[C@H](C)ON=C1C[C@@H](C)[N@@H+](C)C1 844621477 583146209 /nfs/dbraw/zinc/14/62/09/583146209.db2.gz HWPKOHFTTRBMQV-BDAKNGLRSA-N 1 1 182.267 1.658 10 30 ADEEMO C=C[C@@H](C)ON=C1C[C@H](C)[N@@H+](C)C1 844621478 583146350 /nfs/dbraw/zinc/14/63/50/583146350.db2.gz HWPKOHFTTRBMQV-DTWKUNHWSA-N 1 1 182.267 1.658 10 30 ADEEMO C=C[C@@H](C)ON=C1C[C@@H](C)[N@@H+](C)C1 844621480 583146387 /nfs/dbraw/zinc/14/63/87/583146387.db2.gz HWPKOHFTTRBMQV-RKDXNWHRSA-N 1 1 182.267 1.658 10 30 ADEEMO C#C[C@@H]1CCC[N@H+]([C@H](C)CCOC)C1 847024947 583161577 /nfs/dbraw/zinc/16/15/77/583161577.db2.gz MGGVRKZMFRVSKZ-VXGBXAGGSA-N 1 1 195.306 1.757 10 30 ADEEMO C#C[C@@H]1CCC[N@H+](CCOCC=C)C1 847019373 583161062 /nfs/dbraw/zinc/16/10/62/583161062.db2.gz PKYKQUWUWGUFJU-GFCCVEGCSA-N 1 1 193.290 1.534 10 30 ADEEMO C#C[C@@H]1CCC[N@H+](CC[C@@H](C)O)C1 847017748 583161072 /nfs/dbraw/zinc/16/10/72/583161072.db2.gz DKBLHXAXIMUZOO-GHMZBOCLSA-N 1 1 181.279 1.103 10 30 ADEEMO C#C[C@@H]1CCC[N@H+](C[C@@H](C)OC)C1 847019557 583161079 /nfs/dbraw/zinc/16/10/79/583161079.db2.gz RJFDVGLMZRXUDR-GHMZBOCLSA-N 1 1 181.279 1.367 10 30 ADEEMO C#C[C@@H]1CCC[N@H+](CC[C@H](C)O)C1 847017757 583161089 /nfs/dbraw/zinc/16/10/89/583161089.db2.gz DKBLHXAXIMUZOO-WDEREUQCSA-N 1 1 181.279 1.103 10 30 ADEEMO C#C[C@H]1CCC[N@H+](CCOCC=C)C1 847019374 583161097 /nfs/dbraw/zinc/16/10/97/583161097.db2.gz PKYKQUWUWGUFJU-LBPRGKRZSA-N 1 1 193.290 1.534 10 30 ADEEMO C#C[C@H]1CCC[N@H+](CC[C@H](C)O)C1 847017756 583161102 /nfs/dbraw/zinc/16/11/02/583161102.db2.gz DKBLHXAXIMUZOO-QWRGUYRKSA-N 1 1 181.279 1.103 10 30 ADEEMO C#C[C@H]1CCC[N@H+](CC[C@@H](C)O)C1 847017754 583161145 /nfs/dbraw/zinc/16/11/45/583161145.db2.gz DKBLHXAXIMUZOO-MNOVXSKESA-N 1 1 181.279 1.103 10 30 ADEEMO C#C[C@H]1CCC[N@H+](CCC=C)C1 847035189 583161281 /nfs/dbraw/zinc/16/12/81/583161281.db2.gz KQKFWUDAFGLKNS-NSHDSACASA-N 1 1 163.264 1.908 10 30 ADEEMO C#C[C@H]1CCC[N@H+](CC=C)C1 847026549 583161304 /nfs/dbraw/zinc/16/13/04/583161304.db2.gz PYTZBGCNCUEIGT-JTQLQIEISA-N 1 1 149.237 1.518 10 30 ADEEMO C#C[C@@H]1CCC[N@H+]([C@H](C)COC)C1 847027719 583161314 /nfs/dbraw/zinc/16/13/14/583161314.db2.gz WFWQDAWWYIXQNX-GHMZBOCLSA-N 1 1 181.279 1.367 10 30 ADEEMO C#C[C@H]1CCC[N@H+](CC2(C)COC2)C1 847023843 583161317 /nfs/dbraw/zinc/16/13/17/583161317.db2.gz FXIBDDHSXIDOGC-NSHDSACASA-N 1 1 193.290 1.368 10 30 ADEEMO C#C[C@@H]1CCC[N@H+](CC2(C)COC2)C1 847023842 583161336 /nfs/dbraw/zinc/16/13/36/583161336.db2.gz FXIBDDHSXIDOGC-LLVKDONJSA-N 1 1 193.290 1.368 10 30 ADEEMO C#C[C@@H]1CCC[N@H+]([C@@H](C)CCOC)C1 847024942 583161358 /nfs/dbraw/zinc/16/13/58/583161358.db2.gz MGGVRKZMFRVSKZ-NWDGAFQWSA-N 1 1 195.306 1.757 10 30 ADEEMO C#C[C@H]1CCC[N@@H+](C[C@H]2CCCO2)C1 847031308 583161370 /nfs/dbraw/zinc/16/13/70/583161370.db2.gz TYGMFKFVYKKEEV-NWDGAFQWSA-N 1 1 193.290 1.511 10 30 ADEEMO C#C[C@H]1CCC[N@H+](CCCCCO)C1 847023839 583161386 /nfs/dbraw/zinc/16/13/86/583161386.db2.gz FWWGFXMBBVDNMX-LBPRGKRZSA-N 1 1 195.306 1.494 10 30 ADEEMO C#C[C@H]1CCC[N@H+](CCCOCC)C1 847023565 583161397 /nfs/dbraw/zinc/16/13/97/583161397.db2.gz DUELJMZCERKTCZ-LBPRGKRZSA-N 1 1 195.306 1.758 10 30 ADEEMO C#C[C@@H]1CCC[N@H+](Cc2ncc[nH]2)C1 847023493 583161406 /nfs/dbraw/zinc/16/14/06/583161406.db2.gz CRWYPOCKWZEOTB-SNVBAGLBSA-N 1 1 189.262 1.255 10 30 ADEEMO C#C[C@@H]1CCC[N@@H+](Cc2ncc[nH]2)C1 847023493 583161409 /nfs/dbraw/zinc/16/14/09/583161409.db2.gz CRWYPOCKWZEOTB-SNVBAGLBSA-N 1 1 189.262 1.255 10 30 ADEEMO C#C[C@H]1CCC[N@@H+](CC2CC2)C1 847024707 583161432 /nfs/dbraw/zinc/16/14/32/583161432.db2.gz KRWBQOVWNLPOSE-JTQLQIEISA-N 1 1 163.264 1.742 10 30 ADEEMO C#C[C@@H]1CCC[N@H+](CC=C)C1 847026554 583161584 /nfs/dbraw/zinc/16/15/84/583161584.db2.gz PYTZBGCNCUEIGT-SNVBAGLBSA-N 1 1 149.237 1.518 10 30 ADEEMO C#C[C@@H]1CCC[N@H+](CCCOCC)C1 847023563 583161471 /nfs/dbraw/zinc/16/14/71/583161471.db2.gz DUELJMZCERKTCZ-GFCCVEGCSA-N 1 1 195.306 1.758 10 30 ADEEMO C#C[C@@H]1CCC[N@H+]([C@@H](C)COC)C1 847027726 583161490 /nfs/dbraw/zinc/16/14/90/583161490.db2.gz WFWQDAWWYIXQNX-WDEREUQCSA-N 1 1 181.279 1.367 10 30 ADEEMO C#C[C@H]1CCC[N@H+](CCC(C)=O)C1 847026820 583161496 /nfs/dbraw/zinc/16/14/96/583161496.db2.gz HMVMUTMACDTJGF-NSHDSACASA-N 1 1 179.263 1.311 10 30 ADEEMO C#C[C@H]1CCC[N@H+]([C@H](C)CCOC)C1 847024938 583161501 /nfs/dbraw/zinc/16/15/01/583161501.db2.gz MGGVRKZMFRVSKZ-NEPJUHHUSA-N 1 1 195.306 1.757 10 30 ADEEMO C#C[C@H]1CCC[N@H+]([C@H](C)COC)C1 847027722 583161519 /nfs/dbraw/zinc/16/15/19/583161519.db2.gz WFWQDAWWYIXQNX-MNOVXSKESA-N 1 1 181.279 1.367 10 30 ADEEMO C#C[C@@H]1CCC[N@H+](C[C@@H](CC)OC)C1 847037265 583161536 /nfs/dbraw/zinc/16/15/36/583161536.db2.gz SEKDWHXOKVWPPE-VXGBXAGGSA-N 1 1 195.306 1.757 10 30 ADEEMO C#C[C@@H]1CCC[N@H+](CC(=C)C)C1 847026481 583161541 /nfs/dbraw/zinc/16/15/41/583161541.db2.gz POCWIGSJYWTJTE-LLVKDONJSA-N 1 1 163.264 1.908 10 30 ADEEMO C#C[C@H]1CCC[N@H+](CCCF)C1 847028523 583161560 /nfs/dbraw/zinc/16/15/60/583161560.db2.gz ZGDOUIUFIBHWDU-JTQLQIEISA-N 1 1 169.243 1.691 10 30 ADEEMO C#C[C@@H]1CCC[N@H+](CCC=C)C1 847035188 583161692 /nfs/dbraw/zinc/16/16/92/583161692.db2.gz KQKFWUDAFGLKNS-LLVKDONJSA-N 1 1 163.264 1.908 10 30 ADEEMO C#C[C@@H]1CCC[N@@H+](CC2CC2)C1 847024710 583161714 /nfs/dbraw/zinc/16/17/14/583161714.db2.gz KRWBQOVWNLPOSE-SNVBAGLBSA-N 1 1 163.264 1.742 10 30 ADEEMO C#C[C@H]1CCC[N@H+]([C@@H](C)COC)C1 847027724 583161724 /nfs/dbraw/zinc/16/17/24/583161724.db2.gz WFWQDAWWYIXQNX-QWRGUYRKSA-N 1 1 181.279 1.367 10 30 ADEEMO C#C[C@H]1CCC[N@H+]([C@@H](C)CCOC)C1 847024944 583161748 /nfs/dbraw/zinc/16/17/48/583161748.db2.gz MGGVRKZMFRVSKZ-RYUDHWBXSA-N 1 1 195.306 1.757 10 30 ADEEMO C#C[C@@H]1CCC[N@H+](CCCCCO)C1 847023836 583161761 /nfs/dbraw/zinc/16/17/61/583161761.db2.gz FWWGFXMBBVDNMX-GFCCVEGCSA-N 1 1 195.306 1.494 10 30 ADEEMO C#C[C@@H]1CCC[N@H+](CCC(C)(C)O)C1 847033798 583161793 /nfs/dbraw/zinc/16/17/93/583161793.db2.gz GVIPYCYNNJPXFG-LLVKDONJSA-N 1 1 195.306 1.493 10 30 ADEEMO C#C[C@H]1CCC[N@H+](Cc2ncc[nH]2)C1 847023491 583161797 /nfs/dbraw/zinc/16/17/97/583161797.db2.gz CRWYPOCKWZEOTB-JTQLQIEISA-N 1 1 189.262 1.255 10 30 ADEEMO C#C[C@H]1CCC[N@@H+](Cc2ncc[nH]2)C1 847023491 583161798 /nfs/dbraw/zinc/16/17/98/583161798.db2.gz CRWYPOCKWZEOTB-JTQLQIEISA-N 1 1 189.262 1.255 10 30 ADEEMO C#C[C@H]1CCC[N@H+](C[C@H](CC)OC)C1 847037263 583161828 /nfs/dbraw/zinc/16/18/28/583161828.db2.gz SEKDWHXOKVWPPE-RYUDHWBXSA-N 1 1 195.306 1.757 10 30 ADEEMO C#C[C@H]1CCC[N@H+](C[C@@H](CC)OC)C1 847037259 583161880 /nfs/dbraw/zinc/16/18/80/583161880.db2.gz SEKDWHXOKVWPPE-NWDGAFQWSA-N 1 1 195.306 1.757 10 30 ADEEMO C#C[C@H]1CCC[N@H+](CCC(C)(C)O)C1 847033799 583161889 /nfs/dbraw/zinc/16/18/89/583161889.db2.gz GVIPYCYNNJPXFG-NSHDSACASA-N 1 1 195.306 1.493 10 30 ADEEMO C#C[C@H]1CCC[N@@H+](C[C@@H]2CCCO2)C1 847031310 583161926 /nfs/dbraw/zinc/16/19/26/583161926.db2.gz TYGMFKFVYKKEEV-RYUDHWBXSA-N 1 1 193.290 1.511 10 30 ADEEMO CCCCCCC[C@@H]([NH3+])C(=O)OC 107225198 583165016 /nfs/dbraw/zinc/16/50/16/583165016.db2.gz XCEHSTDRCVKULW-SECBINFHSA-N 1 1 187.283 1.847 10 30 ADEEMO CCCCCCC[C@H]([NH3+])C(=O)OC 107225194 583165065 /nfs/dbraw/zinc/16/50/65/583165065.db2.gz XCEHSTDRCVKULW-VIFPVBQESA-N 1 1 187.283 1.847 10 30 ADEEMO CON=C1CCC[N@H+]2CCCC[C@H]12 848404479 583167763 /nfs/dbraw/zinc/16/77/63/583167763.db2.gz LLVNZENVOHFQSO-SNVBAGLBSA-N 1 1 182.267 1.637 10 30 ADEEMO CON=C1CCC[N@H+]2CCCC[C@@H]12 848404471 583167809 /nfs/dbraw/zinc/16/78/09/583167809.db2.gz LLVNZENVOHFQSO-JTQLQIEISA-N 1 1 182.267 1.637 10 30 ADEEMO C=CCO[NH+]=C(N)[C@@H]1C[C@@H]1C 848521227 583168190 /nfs/dbraw/zinc/16/81/90/583168190.db2.gz UIALCVYBAGPJIK-NKWVEPMBSA-N 1 1 154.213 1.327 10 30 ADEEMO C#CCCO[NH+]=C(N)[C@@H]1C[C@H]1C 848516543 583169612 /nfs/dbraw/zinc/16/96/12/583169612.db2.gz DCEUMAXTKJGESY-HTQZYQBOSA-N 1 1 166.224 1.164 10 30 ADEEMO C=CCO[NH+]=C(N)[C@H]1C[C@H]1C 848521230 583168254 /nfs/dbraw/zinc/16/82/54/583168254.db2.gz UIALCVYBAGPJIK-RQJHMYQMSA-N 1 1 154.213 1.327 10 30 ADEEMO C=CCO[NH+]=C(N)[C@H]1C[C@@H]1C 848521212 583168502 /nfs/dbraw/zinc/16/85/02/583168502.db2.gz UIALCVYBAGPJIK-BQBZGAKWSA-N 1 1 154.213 1.327 10 30 ADEEMO C=CCO[NH+]=C(N)[C@@H]1C[C@H]1C 848521228 583168516 /nfs/dbraw/zinc/16/85/16/583168516.db2.gz UIALCVYBAGPJIK-RNFRBKRXSA-N 1 1 154.213 1.327 10 30 ADEEMO CC#CCCO[NH+]=C(N)[C@@H]1C[C@@H]1C 848520944 583168839 /nfs/dbraw/zinc/16/88/39/583168839.db2.gz QVHKHKSUEACMDB-DTWKUNHWSA-N 1 1 180.251 1.554 10 30 ADEEMO C=CCOCCO[NH+]=C(N)[C@@H]1C[C@@H]1C 848522807 583168931 /nfs/dbraw/zinc/16/89/31/583168931.db2.gz XYGPIAXNCCDUHH-DTWKUNHWSA-N 1 1 198.266 1.343 10 30 ADEEMO C#CCCO[NH+]=C(N)[C@H]1C[C@@H]1C 848516557 583168939 /nfs/dbraw/zinc/16/89/39/583168939.db2.gz DCEUMAXTKJGESY-YUMQZZPRSA-N 1 1 166.224 1.164 10 30 ADEEMO C=CCOCCO[NH+]=C(N)[C@H]1C[C@@H]1C 848522808 583168986 /nfs/dbraw/zinc/16/89/86/583168986.db2.gz XYGPIAXNCCDUHH-IUCAKERBSA-N 1 1 198.266 1.343 10 30 ADEEMO C=CCOCCO[NH+]=C(N)[C@@H]1C[C@H]1C 848522809 583169019 /nfs/dbraw/zinc/16/90/19/583169019.db2.gz XYGPIAXNCCDUHH-RKDXNWHRSA-N 1 1 198.266 1.343 10 30 ADEEMO C#CCCO[NH+]=C(N)[C@H]1C[C@H]1C 848516555 583169036 /nfs/dbraw/zinc/16/90/36/583169036.db2.gz DCEUMAXTKJGESY-SFYZADRCSA-N 1 1 166.224 1.164 10 30 ADEEMO C#CCCCO[NH+]=C(N)[C@H]1C[C@H]1C 848520045 583169040 /nfs/dbraw/zinc/16/90/40/583169040.db2.gz PHTBJTNBHMRQRD-BDAKNGLRSA-N 1 1 180.251 1.554 10 30 ADEEMO C#CCCCO[NH+]=C(N)[C@@H]1C[C@@H]1C 848520046 583169115 /nfs/dbraw/zinc/16/91/15/583169115.db2.gz PHTBJTNBHMRQRD-DTWKUNHWSA-N 1 1 180.251 1.554 10 30 ADEEMO CC#CCO[NH+]=C(N)[C@@H]1C[C@H]1C 848522103 583169118 /nfs/dbraw/zinc/16/91/18/583169118.db2.gz VJYMFXLZOXZQPX-HTQZYQBOSA-N 1 1 166.224 1.164 10 30 ADEEMO CC#CCO[NH+]=C(N)[C@H]1C[C@@H]1C 848522111 583169120 /nfs/dbraw/zinc/16/91/20/583169120.db2.gz VJYMFXLZOXZQPX-YUMQZZPRSA-N 1 1 166.224 1.164 10 30 ADEEMO C=C(C)CO[NH+]=C(N)[C@H]1C[C@H]1C 848522755 583169151 /nfs/dbraw/zinc/16/91/51/583169151.db2.gz ZICCVBFREPODIB-SFYZADRCSA-N 1 1 168.240 1.717 10 30 ADEEMO CC#CCCO[NH+]=C(N)[C@@H]1C[C@H]1C 848520946 583169153 /nfs/dbraw/zinc/16/91/53/583169153.db2.gz QVHKHKSUEACMDB-RKDXNWHRSA-N 1 1 180.251 1.554 10 30 ADEEMO CC#CCO[NH+]=C(N)[C@@H]1C[C@@H]1C 848522106 583169166 /nfs/dbraw/zinc/16/91/66/583169166.db2.gz VJYMFXLZOXZQPX-JGVFFNPUSA-N 1 1 166.224 1.164 10 30 ADEEMO C#CCCCO[NH+]=C(N)[C@H]1C[C@@H]1C 848520047 583169324 /nfs/dbraw/zinc/16/93/24/583169324.db2.gz PHTBJTNBHMRQRD-IUCAKERBSA-N 1 1 180.251 1.554 10 30 ADEEMO CC#CCCO[NH+]=C(N)[C@H]1C[C@@H]1C 848520945 583169485 /nfs/dbraw/zinc/16/94/85/583169485.db2.gz QVHKHKSUEACMDB-IUCAKERBSA-N 1 1 180.251 1.554 10 30 ADEEMO CC#CCO[NH+]=C(N)[C@H]1C[C@H]1C 848522109 583169495 /nfs/dbraw/zinc/16/94/95/583169495.db2.gz VJYMFXLZOXZQPX-SFYZADRCSA-N 1 1 166.224 1.164 10 30 ADEEMO CC#CCCO[NH+]=C(N)[C@H]1C[C@H]1C 848520943 583169546 /nfs/dbraw/zinc/16/95/46/583169546.db2.gz QVHKHKSUEACMDB-BDAKNGLRSA-N 1 1 180.251 1.554 10 30 ADEEMO C#CCCCO[NH+]=C(N)[C@@H]1C[C@H]1C 848520048 583169548 /nfs/dbraw/zinc/16/95/48/583169548.db2.gz PHTBJTNBHMRQRD-RKDXNWHRSA-N 1 1 180.251 1.554 10 30 ADEEMO C#CCCO[NH+]=C(N)[C@@H]1C[C@@H]1C 848516554 583169572 /nfs/dbraw/zinc/16/95/72/583169572.db2.gz DCEUMAXTKJGESY-JGVFFNPUSA-N 1 1 166.224 1.164 10 30 ADEEMO C=C(C)CO[NH+]=C(N)[C@@H]1C[C@@H]1C 848522753 583169583 /nfs/dbraw/zinc/16/95/83/583169583.db2.gz ZICCVBFREPODIB-JGVFFNPUSA-N 1 1 168.240 1.717 10 30 ADEEMO C=C(C)CO[NH+]=C(N)[C@H]1C[C@@H]1C 848522756 583169598 /nfs/dbraw/zinc/16/95/98/583169598.db2.gz ZICCVBFREPODIB-YUMQZZPRSA-N 1 1 168.240 1.717 10 30 ADEEMO C=C(C)CO[NH+]=C(N)[C@@H]1C[C@H]1C 848522751 583169605 /nfs/dbraw/zinc/16/96/05/583169605.db2.gz ZICCVBFREPODIB-HTQZYQBOSA-N 1 1 168.240 1.717 10 30 ADEEMO C=CCOCCO[NH+]=C(N)[C@H]1C[C@H]1C 848522806 583169652 /nfs/dbraw/zinc/16/96/52/583169652.db2.gz XYGPIAXNCCDUHH-BDAKNGLRSA-N 1 1 198.266 1.343 10 30 ADEEMO C#C[C@@H]1CCC[N@H+](C[C@@H]2C[C@@H]2C)C1 848923221 583170611 /nfs/dbraw/zinc/17/06/11/583170611.db2.gz BMJPNRYVHSYEIN-TUAOUCFPSA-N 1 1 177.291 1.988 10 30 ADEEMO C#C[C@H]1CCC[N@H+](C[C@@H](C)COC)C1 848924332 583170614 /nfs/dbraw/zinc/17/06/14/583170614.db2.gz QEJIXJLBHHNQGB-NEPJUHHUSA-N 1 1 195.306 1.614 10 30 ADEEMO C#C[C@@H]1CCC[N@H+](C[C@H]2C[C@@H]2C)C1 848923220 583170641 /nfs/dbraw/zinc/17/06/41/583170641.db2.gz BMJPNRYVHSYEIN-QJPTWQEYSA-N 1 1 177.291 1.988 10 30 ADEEMO C#C[C@@H]1CCC[N@H+](Cc2cocn2)C1 848924345 583170649 /nfs/dbraw/zinc/17/06/49/583170649.db2.gz QMPURNVIPBKBPG-SNVBAGLBSA-N 1 1 190.246 1.520 10 30 ADEEMO C#C[C@@H]1CCC[N@@H+](Cc2cocn2)C1 848924345 583170652 /nfs/dbraw/zinc/17/06/52/583170652.db2.gz QMPURNVIPBKBPG-SNVBAGLBSA-N 1 1 190.246 1.520 10 30 ADEEMO C#C[C@@H]1CCC[N@H+](CC2(F)CC2)C1 848923168 583170868 /nfs/dbraw/zinc/17/08/68/583170868.db2.gz AGYNYEWCWWAJQF-SNVBAGLBSA-N 1 1 181.254 1.834 10 30 ADEEMO C#C[C@H]1CCC[N@@H+](Cc2cn[nH]c2)C1 848923191 583170885 /nfs/dbraw/zinc/17/08/85/583170885.db2.gz ATPFOKYIDCYWIG-JTQLQIEISA-N 1 1 189.262 1.255 10 30 ADEEMO C#C[C@H]1CCC[N@H+](CC2(F)CC2)C1 848923167 583170926 /nfs/dbraw/zinc/17/09/26/583170926.db2.gz AGYNYEWCWWAJQF-JTQLQIEISA-N 1 1 181.254 1.834 10 30 ADEEMO C#C[C@@H]1CCC[N@H+](C[C@@H]2C[C@H]2C)C1 848923222 583170964 /nfs/dbraw/zinc/17/09/64/583170964.db2.gz BMJPNRYVHSYEIN-UTUOFQBUSA-N 1 1 177.291 1.988 10 30 ADEEMO C#C[C@@H]1CCC[N@H+](C[C@H](C)COC)C1 848924333 583171005 /nfs/dbraw/zinc/17/10/05/583171005.db2.gz QEJIXJLBHHNQGB-NWDGAFQWSA-N 1 1 195.306 1.614 10 30 ADEEMO C#C[C@@H]1CCC[N@@H+](Cc2cn[nH]c2)C1 848923192 583171035 /nfs/dbraw/zinc/17/10/35/583171035.db2.gz ATPFOKYIDCYWIG-SNVBAGLBSA-N 1 1 189.262 1.255 10 30 ADEEMO C=CC[N@@H+](C)Cc1cnc(Cl)n1C 848904140 583171089 /nfs/dbraw/zinc/17/10/89/583171089.db2.gz LPGZFNLIFOHLQE-UHFFFAOYSA-N 1 1 199.685 1.691 10 30 ADEEMO C=CC[N@H+](C)Cc1cnc(Cl)n1C 848904140 583171091 /nfs/dbraw/zinc/17/10/91/583171091.db2.gz LPGZFNLIFOHLQE-UHFFFAOYSA-N 1 1 199.685 1.691 10 30 ADEEMO C#C[C@@H]1CCC[N@H+](C[C@@H](C)COC)C1 848924335 583171104 /nfs/dbraw/zinc/17/11/04/583171104.db2.gz QEJIXJLBHHNQGB-VXGBXAGGSA-N 1 1 195.306 1.614 10 30 ADEEMO C#C[C@@H]1CCC[N@H+](C[C@H]2C[C@H]2C)C1 848923219 583171149 /nfs/dbraw/zinc/17/11/49/583171149.db2.gz BMJPNRYVHSYEIN-IJLUTSLNSA-N 1 1 177.291 1.988 10 30 ADEEMO C#C[C@H]1CCC[N@H+](C[C@H](C)COC)C1 848924334 583171156 /nfs/dbraw/zinc/17/11/56/583171156.db2.gz QEJIXJLBHHNQGB-RYUDHWBXSA-N 1 1 195.306 1.614 10 30 ADEEMO C#C[C@H]1CCC[N@H+](Cc2cocn2)C1 848924344 583171203 /nfs/dbraw/zinc/17/12/03/583171203.db2.gz QMPURNVIPBKBPG-JTQLQIEISA-N 1 1 190.246 1.520 10 30 ADEEMO C#C[C@H]1CCC[N@@H+](Cc2cocn2)C1 848924344 583171206 /nfs/dbraw/zinc/17/12/06/583171206.db2.gz QMPURNVIPBKBPG-JTQLQIEISA-N 1 1 190.246 1.520 10 30 ADEEMO C#CCOCC[N@H+](CC)CC(C)C 851725649 583190224 /nfs/dbraw/zinc/19/02/24/583190224.db2.gz GTQAMMAQQKCZCZ-UHFFFAOYSA-N 1 1 183.295 1.614 10 30 ADEEMO C#CCOCC[N@H+](CC)C1CC1 851725636 583190490 /nfs/dbraw/zinc/19/04/90/583190490.db2.gz CQUBKNCGRUJWPW-UHFFFAOYSA-N 1 1 167.252 1.121 10 30 ADEEMO C#CCOCC[N@@H+]1CCCCC[C@H]1C 851772375 583192384 /nfs/dbraw/zinc/19/23/84/583192384.db2.gz GBFYAZSUSMFNIH-GFCCVEGCSA-N 1 1 195.306 1.901 10 30 ADEEMO C[C@@H](C#N)C[N@H+](C)CCOC(F)F 851744519 583191779 /nfs/dbraw/zinc/19/17/79/583191779.db2.gz HTVHFUIAAFOXFC-ZETCQYMHSA-N 1 1 192.209 1.317 10 30 ADEEMO C[C@@H](C#N)C[N@@H+](C)CCOC(F)F 851744519 583191784 /nfs/dbraw/zinc/19/17/84/583191784.db2.gz HTVHFUIAAFOXFC-ZETCQYMHSA-N 1 1 192.209 1.317 10 30 ADEEMO C[C@H](C#N)C[N@H+](C)CCOC(F)F 851744518 583191933 /nfs/dbraw/zinc/19/19/33/583191933.db2.gz HTVHFUIAAFOXFC-SSDOTTSWSA-N 1 1 192.209 1.317 10 30 ADEEMO C[C@H](C#N)C[N@@H+](C)CCOC(F)F 851744518 583191935 /nfs/dbraw/zinc/19/19/35/583191935.db2.gz HTVHFUIAAFOXFC-SSDOTTSWSA-N 1 1 192.209 1.317 10 30 ADEEMO C#CCOCC[N@@H+]1CCCC1(C)C 851751334 583192538 /nfs/dbraw/zinc/19/25/38/583192538.db2.gz QQVLFRPQAOQDEK-UHFFFAOYSA-N 1 1 181.279 1.511 10 30 ADEEMO C#CCOCC[N@@H+]1CCCCC[C@@H]1C 851772376 583192587 /nfs/dbraw/zinc/19/25/87/583192587.db2.gz GBFYAZSUSMFNIH-LBPRGKRZSA-N 1 1 195.306 1.901 10 30 ADEEMO C#CCOCC[N@H+]1C[C@@H](C)C[C@@H]1C 851781751 583194700 /nfs/dbraw/zinc/19/47/00/583194700.db2.gz DWRLZAGSBYHPBL-QWRGUYRKSA-N 1 1 181.279 1.367 10 30 ADEEMO C#CCOCC[N@@H+]1C[C@@H](C)C[C@H]1CC 851794174 583194225 /nfs/dbraw/zinc/19/42/25/583194225.db2.gz FKDIBDFCVUMLDE-NWDGAFQWSA-N 1 1 195.306 1.757 10 30 ADEEMO C#CCOCC[N@H+](CC)CC1CC1 851767664 583192801 /nfs/dbraw/zinc/19/28/01/583192801.db2.gz FBACLRUJXUEJFM-UHFFFAOYSA-N 1 1 181.279 1.368 10 30 ADEEMO C#CCOCC[N@H+](CCC)C1CC1 851750389 583192879 /nfs/dbraw/zinc/19/28/79/583192879.db2.gz ARMYLOQTKYFYBZ-UHFFFAOYSA-N 1 1 181.279 1.511 10 30 ADEEMO C=CCCC[N@H+](C)C[C@H]1CCC(=O)O1 851780805 583193055 /nfs/dbraw/zinc/19/30/55/583193055.db2.gz WKJHCNRMIGJINV-SNVBAGLBSA-N 1 1 197.278 1.590 10 30 ADEEMO C#CCOCC[N@H+]1[C@@H](C)CCC[C@H]1C 851763440 583193388 /nfs/dbraw/zinc/19/33/88/583193388.db2.gz APGGXCKZCZJSJM-TXEJJXNPSA-N 1 1 195.306 1.899 10 30 ADEEMO C=CCCC[N@H+](C)C[C@@H]1CCC(=O)O1 851780804 583194346 /nfs/dbraw/zinc/19/43/46/583194346.db2.gz WKJHCNRMIGJINV-JTQLQIEISA-N 1 1 197.278 1.590 10 30 ADEEMO C#CCOCC[N@H+]1C[C@H](C)CC[C@H]1C 851794177 583194354 /nfs/dbraw/zinc/19/43/54/583194354.db2.gz PTEGSRZBGUHDIK-VXGBXAGGSA-N 1 1 195.306 1.757 10 30 ADEEMO C=CCCC[N@@H+](C)Cc1cnon1 851778157 583194364 /nfs/dbraw/zinc/19/43/64/583194364.db2.gz CDFNJBBMOLKWOJ-UHFFFAOYSA-N 1 1 181.239 1.468 10 30 ADEEMO C=CCCC[N@H+](C)Cc1cnon1 851778157 583194366 /nfs/dbraw/zinc/19/43/66/583194366.db2.gz CDFNJBBMOLKWOJ-UHFFFAOYSA-N 1 1 181.239 1.468 10 30 ADEEMO C#CCOCC[N@H+]1C[C@H](C)C[C@@H]1C 851781750 583194672 /nfs/dbraw/zinc/19/46/72/583194672.db2.gz DWRLZAGSBYHPBL-MNOVXSKESA-N 1 1 181.279 1.367 10 30 ADEEMO C#CCOCC[N@H+]1C[C@H](C)CC[C@@H]1C 851794171 583194780 /nfs/dbraw/zinc/19/47/80/583194780.db2.gz PTEGSRZBGUHDIK-NEPJUHHUSA-N 1 1 195.306 1.757 10 30 ADEEMO C#CCOCC[N@H+]1C[C@H](C)C[C@H]1C 851781749 583194885 /nfs/dbraw/zinc/19/48/85/583194885.db2.gz DWRLZAGSBYHPBL-GHMZBOCLSA-N 1 1 181.279 1.367 10 30 ADEEMO C#CCOCC[N@@H+]1C[C@H](C)C[C@H]1CC 851794178 583194890 /nfs/dbraw/zinc/19/48/90/583194890.db2.gz FKDIBDFCVUMLDE-VXGBXAGGSA-N 1 1 195.306 1.757 10 30 ADEEMO C#CCOCC[N@@H+]1C[C@H](C)C[C@@H]1CC 851794172 583194896 /nfs/dbraw/zinc/19/48/96/583194896.db2.gz FKDIBDFCVUMLDE-NEPJUHHUSA-N 1 1 195.306 1.757 10 30 ADEEMO C#CCOCC[N@H+]1C[C@@H](C)C[C@H]1C 851781752 583195185 /nfs/dbraw/zinc/19/51/85/583195185.db2.gz DWRLZAGSBYHPBL-WDEREUQCSA-N 1 1 181.279 1.367 10 30 ADEEMO C#CCOCC[N@H+]1[C@@H](C)CC[C@H]1C 851807584 583195293 /nfs/dbraw/zinc/19/52/93/583195293.db2.gz FRZKCXBHIMDDJH-PHIMTYICSA-N 1 1 181.279 1.509 10 30 ADEEMO C#CCOCC[N@H+]1C[C@@H](C)CC[C@H]1C 851794173 583195321 /nfs/dbraw/zinc/19/53/21/583195321.db2.gz PTEGSRZBGUHDIK-NWDGAFQWSA-N 1 1 195.306 1.757 10 30 ADEEMO C#CCOCC[N@@H+]1C[C@@H](C)C[C@@H]1CC 851794176 583195385 /nfs/dbraw/zinc/19/53/85/583195385.db2.gz FKDIBDFCVUMLDE-RYUDHWBXSA-N 1 1 195.306 1.757 10 30 ADEEMO C#CCOCC[N@H+]1C[C@@H](C)CC[C@@H]1C 851794175 583195415 /nfs/dbraw/zinc/19/54/15/583195415.db2.gz PTEGSRZBGUHDIK-RYUDHWBXSA-N 1 1 195.306 1.757 10 30 ADEEMO CC[N@@H+](CCC#N)CCOC(F)F 851798901 583195691 /nfs/dbraw/zinc/19/56/91/583195691.db2.gz UJERIJOKELIXBF-UHFFFAOYSA-N 1 1 192.209 1.461 10 30 ADEEMO CC[N@H+](CCC#N)CCOC(F)F 851798901 583195694 /nfs/dbraw/zinc/19/56/94/583195694.db2.gz UJERIJOKELIXBF-UHFFFAOYSA-N 1 1 192.209 1.461 10 30 ADEEMO C#CCOCC[N@H+]1CCC2(CCC2)C1 851807152 583195739 /nfs/dbraw/zinc/19/57/39/583195739.db2.gz ANNPVHIAFJQMNO-UHFFFAOYSA-N 1 1 193.290 1.512 10 30 ADEEMO C#CC[N@H+](CC)C[C@@H](OC)C1CCC1 851798224 583195779 /nfs/dbraw/zinc/19/57/79/583195779.db2.gz ADCGQUKYDHFDRL-GFCCVEGCSA-N 1 1 195.306 1.757 10 30 ADEEMO C#CCOCC[N@@H+]1CC[C@H](C(C)C)C1 851809594 583195794 /nfs/dbraw/zinc/19/57/94/583195794.db2.gz XDDQWCUYTNLXCZ-LBPRGKRZSA-N 1 1 195.306 1.614 10 30 ADEEMO C#CC[N@H+](CC)[C@@H]1CCO[C@H](C)C1 851799317 583195796 /nfs/dbraw/zinc/19/57/96/583195796.db2.gz NNNLYFZDTZMRJO-GHMZBOCLSA-N 1 1 181.279 1.509 10 30 ADEEMO C#CCOCC[N@@H+]1CC[C@@H](C(C)C)C1 851809593 583195804 /nfs/dbraw/zinc/19/58/04/583195804.db2.gz XDDQWCUYTNLXCZ-GFCCVEGCSA-N 1 1 195.306 1.614 10 30 ADEEMO C#CC[N@H+](CC)C[C@H]1C[C@@H]2C[C@@H]2C1 851800271 583195825 /nfs/dbraw/zinc/19/58/25/583195825.db2.gz XDKAFZGQDFFBPS-ZSBIGDGJSA-N 1 1 177.291 1.988 10 30 ADEEMO C[C@@H](CC#N)[N@H+](C)CCOC(F)F 851809188 583195860 /nfs/dbraw/zinc/19/58/60/583195860.db2.gz OMIONVWKXIKADB-ZETCQYMHSA-N 1 1 192.209 1.460 10 30 ADEEMO C[C@@H](CC#N)[N@@H+](C)CCOC(F)F 851809188 583195862 /nfs/dbraw/zinc/19/58/62/583195862.db2.gz OMIONVWKXIKADB-ZETCQYMHSA-N 1 1 192.209 1.460 10 30 ADEEMO C#CC[N@@H+](CC)CCOC(F)F 851799973 583195868 /nfs/dbraw/zinc/19/58/68/583195868.db2.gz UBXFXYPNRABAMM-UHFFFAOYSA-N 1 1 177.194 1.181 10 30 ADEEMO C[C@H](CC#N)[N@H+](C)CCOC(F)F 851809187 583195994 /nfs/dbraw/zinc/19/59/94/583195994.db2.gz OMIONVWKXIKADB-SSDOTTSWSA-N 1 1 192.209 1.460 10 30 ADEEMO C[C@H](CC#N)[N@@H+](C)CCOC(F)F 851809187 583195997 /nfs/dbraw/zinc/19/59/97/583195997.db2.gz OMIONVWKXIKADB-SSDOTTSWSA-N 1 1 192.209 1.460 10 30 ADEEMO C#CC[N@H+](CC)C[C@H](OC)C1CCC1 851798226 583196169 /nfs/dbraw/zinc/19/61/69/583196169.db2.gz ADCGQUKYDHFDRL-LBPRGKRZSA-N 1 1 195.306 1.757 10 30 ADEEMO C#CCOCC[N@@H+]1C[C@H](C)CC1(C)C 851797441 583196433 /nfs/dbraw/zinc/19/64/33/583196433.db2.gz FHAZMTBFESWNEO-LLVKDONJSA-N 1 1 195.306 1.757 10 30 ADEEMO C#CCOCC[N@@H+]1C[C@@H](C)CC1(C)C 851797443 583196810 /nfs/dbraw/zinc/19/68/10/583196810.db2.gz FHAZMTBFESWNEO-NSHDSACASA-N 1 1 195.306 1.757 10 30 ADEEMO C#CCOCC[N@H+](C)[C@@H]1CCSC1 851867344 583197467 /nfs/dbraw/zinc/19/74/67/583197467.db2.gz DXFFBOBFMWRIMK-SNVBAGLBSA-N 1 1 199.319 1.074 10 30 ADEEMO C#CCOCC[N@H+](C)C(C)(C)CC 851842038 583197499 /nfs/dbraw/zinc/19/74/99/583197499.db2.gz DNEDRXFEXPINLP-UHFFFAOYSA-N 1 1 183.295 1.757 10 30 ADEEMO C#CCOCC[N@H+]1CCCSCC1 851873320 583197706 /nfs/dbraw/zinc/19/77/06/583197706.db2.gz VDHJWNBRUSPBHA-UHFFFAOYSA-N 1 1 199.319 1.075 10 30 ADEEMO C#CCOCC[N@H+](C)[C@H]1CCSC1 851867343 583198028 /nfs/dbraw/zinc/19/80/28/583198028.db2.gz DXFFBOBFMWRIMK-JTQLQIEISA-N 1 1 199.319 1.074 10 30 ADEEMO C=C(C)C[N@@H+](C)CCOC(F)F 851909326 583198693 /nfs/dbraw/zinc/19/86/93/583198693.db2.gz BJUTXEHRUIQVQF-UHFFFAOYSA-N 1 1 179.210 1.734 10 30 ADEEMO C=CC[N@H+](CCC(OC)OC)C1CC1 851890678 583198822 /nfs/dbraw/zinc/19/88/22/583198822.db2.gz DGQGJZFGJRALRR-UHFFFAOYSA-N 1 1 199.294 1.646 10 30 ADEEMO C#CCOCC[N@H+]1[C@@H](CC)CC[C@H]1C 851889753 583198831 /nfs/dbraw/zinc/19/88/31/583198831.db2.gz FOXPLXXENWNNBP-NEPJUHHUSA-N 1 1 195.306 1.899 10 30 ADEEMO C=C(C)C[N@H+](C)CCC(OC)OC 851909631 583198886 /nfs/dbraw/zinc/19/88/86/583198886.db2.gz HENBXHHAHNDCLX-UHFFFAOYSA-N 1 1 187.283 1.503 10 30 ADEEMO C#CCOCC[N@@H+]1[C@@H](C)CC[C@H]1CC 851889754 583198989 /nfs/dbraw/zinc/19/89/89/583198989.db2.gz FOXPLXXENWNNBP-NWDGAFQWSA-N 1 1 195.306 1.899 10 30 ADEEMO C#CCOCC[N@@H+]1[C@@H](C)CC[C@@H]1CC 851889755 583199114 /nfs/dbraw/zinc/19/91/14/583199114.db2.gz FOXPLXXENWNNBP-RYUDHWBXSA-N 1 1 195.306 1.899 10 30 ADEEMO C#CCOCC[N@@H+]1CC[C@@H](C)[C@H](C)C1 851884592 583199152 /nfs/dbraw/zinc/19/91/52/583199152.db2.gz FNRJOVIUNHZNRC-VXGBXAGGSA-N 1 1 195.306 1.614 10 30 ADEEMO C#CCOCC[N@@H+]1CC[C@H](C)[C@H](C)C1 851884590 583199189 /nfs/dbraw/zinc/19/91/89/583199189.db2.gz FNRJOVIUNHZNRC-NWDGAFQWSA-N 1 1 195.306 1.614 10 30 ADEEMO C#CCOCC[N@@H+]1[C@H](C)CC[C@H]1CC 851889756 583199282 /nfs/dbraw/zinc/19/92/82/583199282.db2.gz FOXPLXXENWNNBP-VXGBXAGGSA-N 1 1 195.306 1.899 10 30 ADEEMO C=CC[N@H+](CCOC(F)F)C1CC1 851891373 583199401 /nfs/dbraw/zinc/19/94/01/583199401.db2.gz QRYRUKIICFJNNY-UHFFFAOYSA-N 1 1 191.221 1.876 10 30 ADEEMO C#CCOCC[N@@H+]1CC[C@@H](C)[C@@H](C)C1 851884589 583199434 /nfs/dbraw/zinc/19/94/34/583199434.db2.gz FNRJOVIUNHZNRC-NEPJUHHUSA-N 1 1 195.306 1.614 10 30 ADEEMO C#CCOCC[N@@H+]1CC[C@H](C)[C@@H](C)C1 851884591 583199473 /nfs/dbraw/zinc/19/94/73/583199473.db2.gz FNRJOVIUNHZNRC-RYUDHWBXSA-N 1 1 195.306 1.614 10 30 ADEEMO C#CC[N@H+](CCC(OC)OC)C1CC1 851938199 583199787 /nfs/dbraw/zinc/19/97/87/583199787.db2.gz LPVUGDOWMZJPSR-UHFFFAOYSA-N 1 1 197.278 1.093 10 30 ADEEMO C#CCOCC[N@@H+]1CC[C@H](C)[C@@H](F)C1 851910855 583200153 /nfs/dbraw/zinc/20/01/53/583200153.db2.gz SJUDZMASPUSBEF-QWRGUYRKSA-N 1 1 199.269 1.316 10 30 ADEEMO C#CCOCC[N@@H+]1CC[C@H](C)[C@H](F)C1 851910856 583200315 /nfs/dbraw/zinc/20/03/15/583200315.db2.gz SJUDZMASPUSBEF-WDEREUQCSA-N 1 1 199.269 1.316 10 30 ADEEMO C#CCOCC[N@@H+]1CC[C@@H](C)[C@@H](F)C1 851910854 583200329 /nfs/dbraw/zinc/20/03/29/583200329.db2.gz SJUDZMASPUSBEF-MNOVXSKESA-N 1 1 199.269 1.316 10 30 ADEEMO C#CC[N@H+](CCOC(F)F)C1CC1 851938007 583200406 /nfs/dbraw/zinc/20/04/06/583200406.db2.gz HEIFNUCDIITDSH-UHFFFAOYSA-N 1 1 189.205 1.323 10 30 ADEEMO C#CCOCC[N@@H+]1CC[C@@H](C)[C@H](F)C1 851910844 583200512 /nfs/dbraw/zinc/20/05/12/583200512.db2.gz SJUDZMASPUSBEF-GHMZBOCLSA-N 1 1 199.269 1.316 10 30 ADEEMO C#CC[N@H+](C)C[C@@H](OC)C1CCCC1 851978319 583201010 /nfs/dbraw/zinc/20/10/10/583201010.db2.gz MCWUOKRTYMKMRR-GFCCVEGCSA-N 1 1 195.306 1.757 10 30 ADEEMO C#CC[N@@H+](C)CC[C@@H]1COC(C)(C)O1 851977829 583201059 /nfs/dbraw/zinc/20/10/59/583201059.db2.gz HFDNDMGMERJKPQ-SNVBAGLBSA-N 1 1 197.278 1.093 10 30 ADEEMO C=CCC[N@H+](C)CCC(OC)OC 851973983 583201146 /nfs/dbraw/zinc/20/11/46/583201146.db2.gz OFFXTWWQCUCYKT-UHFFFAOYSA-N 1 1 187.283 1.503 10 30 ADEEMO C=CC[N@@H+](C)CC[C@@H]1COC(C)(C)O1 851955174 583201221 /nfs/dbraw/zinc/20/12/21/583201221.db2.gz SFSWAOGALYPWIO-SNVBAGLBSA-N 1 1 199.294 1.646 10 30 ADEEMO C#CC[N@H+](C)C[C@H](OC)C1CCCC1 851978320 583201243 /nfs/dbraw/zinc/20/12/43/583201243.db2.gz MCWUOKRTYMKMRR-LBPRGKRZSA-N 1 1 195.306 1.757 10 30 ADEEMO C=CC[N@H+](C)C[C@H]1COC(C)(C)O1 851953916 583201300 /nfs/dbraw/zinc/20/13/00/583201300.db2.gz GPYFXKJFXXQNLS-VIFPVBQESA-N 1 1 185.267 1.256 10 30 ADEEMO C=CCC[N@H+](C)C[C@@H]1CCC(=O)O1 851973384 583201371 /nfs/dbraw/zinc/20/13/71/583201371.db2.gz AJPHXTDPICASSK-VIFPVBQESA-N 1 1 183.251 1.200 10 30 ADEEMO C=CCC[N@@H+](C)CCOC(F)F 851974419 583201394 /nfs/dbraw/zinc/20/13/94/583201394.db2.gz XTASHSYBBJOYJM-UHFFFAOYSA-N 1 1 179.210 1.734 10 30 ADEEMO C=CCC[N@H+](C)C[C@H]1CCC(=O)O1 851973383 583201443 /nfs/dbraw/zinc/20/14/43/583201443.db2.gz AJPHXTDPICASSK-SECBINFHSA-N 1 1 183.251 1.200 10 30 ADEEMO C#CC[N@@H+](C)CC[C@H]1COC(C)(C)O1 851977827 583201497 /nfs/dbraw/zinc/20/14/97/583201497.db2.gz HFDNDMGMERJKPQ-JTQLQIEISA-N 1 1 197.278 1.093 10 30 ADEEMO C=CC[N@@H+](C)CCOC(F)F 851955661 583201527 /nfs/dbraw/zinc/20/15/27/583201527.db2.gz ZNKAUSOUIVSGFW-UHFFFAOYSA-N 1 1 165.183 1.343 10 30 ADEEMO C=CC[N@H+](C)CCC(OC)OC 851954107 583201539 /nfs/dbraw/zinc/20/15/39/583201539.db2.gz ICCPJPFTMOMMQR-UHFFFAOYSA-N 1 1 173.256 1.113 10 30 ADEEMO C=CC[N@@H+](C)CC[C@H]1COC(C)(C)O1 851955173 583201587 /nfs/dbraw/zinc/20/15/87/583201587.db2.gz SFSWAOGALYPWIO-JTQLQIEISA-N 1 1 199.294 1.646 10 30 ADEEMO C=CCC[N@@H+](C)Cc1cnon1 851973638 583201601 /nfs/dbraw/zinc/20/16/01/583201601.db2.gz GUKSFJWZOLYYTR-UHFFFAOYSA-N 1 1 167.212 1.078 10 30 ADEEMO C=CCC[N@H+](C)Cc1cnon1 851973638 583201603 /nfs/dbraw/zinc/20/16/03/583201603.db2.gz GUKSFJWZOLYYTR-UHFFFAOYSA-N 1 1 167.212 1.078 10 30 ADEEMO C=CC[N@H+](C)C[C@@H]1COC(C)(C)O1 851953914 583201632 /nfs/dbraw/zinc/20/16/32/583201632.db2.gz GPYFXKJFXXQNLS-SECBINFHSA-N 1 1 185.267 1.256 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)CCOC(F)F 851988877 583201981 /nfs/dbraw/zinc/20/19/81/583201981.db2.gz DBAPREXOMUHOBG-SSDOTTSWSA-N 1 1 177.194 1.179 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)C[C@H]1C[C@@H]2C[C@@H]2C1 851990075 583202053 /nfs/dbraw/zinc/20/20/53/583202053.db2.gz NXVHOJDYUINMGC-YFKTTZPYSA-N 1 1 177.291 1.986 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)CCOC(F)F 851988879 583202058 /nfs/dbraw/zinc/20/20/58/583202058.db2.gz DBAPREXOMUHOBG-ZETCQYMHSA-N 1 1 177.194 1.179 10 30 ADEEMO C#C[C@H](C)[N@H+](C)C[C@@H](OC)C1CCC1 851990217 583202271 /nfs/dbraw/zinc/20/22/71/583202271.db2.gz PQOGXNLYLTWAGL-CMPLNLGQSA-N 1 1 195.306 1.755 10 30 ADEEMO C#CCOCC[N@H+]1CC(C)=C[C@H](C)C1 852005996 583202311 /nfs/dbraw/zinc/20/23/11/583202311.db2.gz AWSUZZLFLJEBRA-NSHDSACASA-N 1 1 193.290 1.534 10 30 ADEEMO C#C[C@@H](C)[N@H+](C)C[C@@H](OC)C1CCC1 851990222 583202337 /nfs/dbraw/zinc/20/23/37/583202337.db2.gz PQOGXNLYLTWAGL-ZYHUDNBSSA-N 1 1 195.306 1.755 10 30 ADEEMO C#C[C@@H](C)[N@H+](C)C[C@H](OC)C1CCC1 851990220 583202359 /nfs/dbraw/zinc/20/23/59/583202359.db2.gz PQOGXNLYLTWAGL-PWSUYJOCSA-N 1 1 195.306 1.755 10 30 ADEEMO C#CCOCC[N@H+](C)C1(C)CCCC1 851994573 583202468 /nfs/dbraw/zinc/20/24/68/583202468.db2.gz QOAPLVWBRKCRFF-UHFFFAOYSA-N 1 1 195.306 1.901 10 30 ADEEMO C#C[C@H](C)[N@H+](C)C[C@H](OC)C1CCC1 851990219 583202624 /nfs/dbraw/zinc/20/26/24/583202624.db2.gz PQOGXNLYLTWAGL-JQWIXIFHSA-N 1 1 195.306 1.755 10 30 ADEEMO C#CCOCC[N@H+]1[C@@H](C)C[C@H]1C 851998158 583202700 /nfs/dbraw/zinc/20/27/00/583202700.db2.gz QRPQSXJONNBXCR-AOOOYVTPSA-N 1 1 167.252 1.119 10 30 ADEEMO C#CC(C)(C)[N@H+](C)CCC(OC)OC 851987282 583202734 /nfs/dbraw/zinc/20/27/34/583202734.db2.gz TTZFXYQARROBCQ-UHFFFAOYSA-N 1 1 199.294 1.339 10 30 ADEEMO C#CCOCC[N@@H+]1CCCC[C@H]1C=C 851993267 583202859 /nfs/dbraw/zinc/20/28/59/583202859.db2.gz ARDCJHKYXJGNEC-GFCCVEGCSA-N 1 1 193.290 1.677 10 30 ADEEMO C#CCOCC[N@@H+]1CCCC[C@@H]1C=C 851993269 583203002 /nfs/dbraw/zinc/20/30/02/583203002.db2.gz ARDCJHKYXJGNEC-LBPRGKRZSA-N 1 1 193.290 1.677 10 30 ADEEMO C#CCOCC[N@H+]1CC(C)=C[C@@H](C)C1 852005995 583203103 /nfs/dbraw/zinc/20/31/03/583203103.db2.gz AWSUZZLFLJEBRA-LLVKDONJSA-N 1 1 193.290 1.534 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)C[C@H]1C[C@@H]2C[C@@H]2C1 851990074 583203164 /nfs/dbraw/zinc/20/31/64/583203164.db2.gz NXVHOJDYUINMGC-WISYIIOYSA-N 1 1 177.291 1.986 10 30 ADEEMO CC#CC[N@@H+](C)CCOC(F)F 852093961 583204294 /nfs/dbraw/zinc/20/42/94/583204294.db2.gz FGJWPRKXNZVTMJ-UHFFFAOYSA-N 1 1 177.194 1.181 10 30 ADEEMO C#CCOCC[N@@H+]1CCC[C@](C)(F)C1 852096503 583204616 /nfs/dbraw/zinc/20/46/16/583204616.db2.gz LCGPTMZBVFMZKP-NSHDSACASA-N 1 1 199.269 1.460 10 30 ADEEMO C#CCOCC[N@@H+]1CC[C@@H](SC)C1 852113508 583204702 /nfs/dbraw/zinc/20/47/02/583204702.db2.gz BEQGVLUYGVOVMM-SNVBAGLBSA-N 1 1 199.319 1.074 10 30 ADEEMO C#C[C@](C)(CC)[NH2+]Cc1ccno1 852098029 583204720 /nfs/dbraw/zinc/20/47/20/583204720.db2.gz CSWBIECVPXBBTM-SNVBAGLBSA-N 1 1 178.235 1.566 10 30 ADEEMO C#CCOCC[N@@H+]1CCC[C@@](C)(F)C1 852096501 583205145 /nfs/dbraw/zinc/20/51/45/583205145.db2.gz LCGPTMZBVFMZKP-LLVKDONJSA-N 1 1 199.269 1.460 10 30 ADEEMO C#C[C@@](C)(CC)[NH2+]Cc1ccno1 852098028 583205256 /nfs/dbraw/zinc/20/52/56/583205256.db2.gz CSWBIECVPXBBTM-JTQLQIEISA-N 1 1 178.235 1.566 10 30 ADEEMO C#CCOCC[N@@H+]1CC[C@H](SC)C1 852113507 583205285 /nfs/dbraw/zinc/20/52/85/583205285.db2.gz BEQGVLUYGVOVMM-JTQLQIEISA-N 1 1 199.319 1.074 10 30 ADEEMO C#CCOCC[N@H+]1C[C@@H]2CCCC[C@@H]21 852218637 583206293 /nfs/dbraw/zinc/20/62/93/583206293.db2.gz CKBLRKAUKGLHQD-RYUDHWBXSA-N 1 1 193.290 1.511 10 30 ADEEMO CC(=O)CC[N@H+]1CCC[C@@H](CC#N)C1 852319376 583205923 /nfs/dbraw/zinc/20/59/23/583205923.db2.gz LJFWCNHDSLMOGT-NSHDSACASA-N 1 1 194.278 1.591 10 30 ADEEMO CC(=O)CC[N@H+]1CCC[C@H](CC#N)C1 852319375 583205958 /nfs/dbraw/zinc/20/59/58/583205958.db2.gz LJFWCNHDSLMOGT-LLVKDONJSA-N 1 1 194.278 1.591 10 30 ADEEMO C=CC[N@H+]1CCC2=C(CCC(=O)N2)C1 852299043 583206366 /nfs/dbraw/zinc/20/63/66/583206366.db2.gz MXUQHHXMYWGKHR-UHFFFAOYSA-N 1 1 192.262 1.042 10 30 ADEEMO C#CCC[N@H+]1C[C@@]2(C)COC[C@@]2(C)C1 852459414 583206771 /nfs/dbraw/zinc/20/67/71/583206771.db2.gz CBNQDGXJLBYNIF-TXEJJXNPSA-N 1 1 193.290 1.368 10 30 ADEEMO C=CC[N@@H+](CCF)[C@@H](C)COC 852356377 583206783 /nfs/dbraw/zinc/20/67/83/583206783.db2.gz CPBMAUHDLSLAKH-VIFPVBQESA-N 1 1 175.247 1.479 10 30 ADEEMO C=CC[N@H+](CCF)[C@@H](C)COC 852356377 583206785 /nfs/dbraw/zinc/20/67/85/583206785.db2.gz CPBMAUHDLSLAKH-VIFPVBQESA-N 1 1 175.247 1.479 10 30 ADEEMO C=CC[N@H+](CCC(C)=O)[C@H](C)COC 852358688 583206823 /nfs/dbraw/zinc/20/68/23/583206823.db2.gz YIEFSEUQEFTLFW-SNVBAGLBSA-N 1 1 199.294 1.488 10 30 ADEEMO C=C(CC)C[N@H+](CCF)CCOC 852481861 583206863 /nfs/dbraw/zinc/20/68/63/583206863.db2.gz RTUKZAQADQFUIY-UHFFFAOYSA-N 1 1 189.274 1.871 10 30 ADEEMO C=C(CC)C[N@@H+](CCF)CCOC 852481861 583206866 /nfs/dbraw/zinc/20/68/66/583206866.db2.gz RTUKZAQADQFUIY-UHFFFAOYSA-N 1 1 189.274 1.871 10 30 ADEEMO C#CC[N@H+]1CC2(CCC2)OC[C@@H]1C 852440497 583206896 /nfs/dbraw/zinc/20/68/96/583206896.db2.gz AOORFFMSMLNYJE-JTQLQIEISA-N 1 1 179.263 1.263 10 30 ADEEMO C#CC[N@@H+]1CC2(CCC2)OC[C@@H]1C 852440497 583206898 /nfs/dbraw/zinc/20/68/98/583206898.db2.gz AOORFFMSMLNYJE-JTQLQIEISA-N 1 1 179.263 1.263 10 30 ADEEMO C=CC[N@@H+](CCF)[C@H](C)COC 852356376 583206908 /nfs/dbraw/zinc/20/69/08/583206908.db2.gz CPBMAUHDLSLAKH-SECBINFHSA-N 1 1 175.247 1.479 10 30 ADEEMO C=CC[N@H+](CCF)[C@H](C)COC 852356376 583206910 /nfs/dbraw/zinc/20/69/10/583206910.db2.gz CPBMAUHDLSLAKH-SECBINFHSA-N 1 1 175.247 1.479 10 30 ADEEMO C=CCCC[N@H+](CCF)CCOC 852483387 583207050 /nfs/dbraw/zinc/20/70/50/583207050.db2.gz HPPWTHGEKFCZDZ-UHFFFAOYSA-N 1 1 189.274 1.871 10 30 ADEEMO C#CC[N@H+]1CC2(CCC2)OC[C@H]1C 852440498 583207102 /nfs/dbraw/zinc/20/71/02/583207102.db2.gz AOORFFMSMLNYJE-SNVBAGLBSA-N 1 1 179.263 1.263 10 30 ADEEMO C#CC[N@@H+]1CC2(CCC2)OC[C@H]1C 852440498 583207104 /nfs/dbraw/zinc/20/71/04/583207104.db2.gz AOORFFMSMLNYJE-SNVBAGLBSA-N 1 1 179.263 1.263 10 30 ADEEMO C=CCC[N@H+](CCF)CCOC 852479656 583207122 /nfs/dbraw/zinc/20/71/22/583207122.db2.gz IIPCYSQKPWFTHS-UHFFFAOYSA-N 1 1 175.247 1.480 10 30 ADEEMO C#CCC[N@@H+]1CC2(CCC2)OC[C@H]1C 852445281 583207142 /nfs/dbraw/zinc/20/71/42/583207142.db2.gz YRFKQNNEQFEDFL-LLVKDONJSA-N 1 1 193.290 1.653 10 30 ADEEMO C=C(C)CC[N@H+](CCF)CCOC 852479668 583207152 /nfs/dbraw/zinc/20/71/52/583207152.db2.gz IWLSHDZCKRMBMJ-UHFFFAOYSA-N 1 1 189.274 1.871 10 30 ADEEMO C#CCC[N@@H+]1CC2(CCC2)OC[C@@H]1C 852445282 583207294 /nfs/dbraw/zinc/20/72/94/583207294.db2.gz YRFKQNNEQFEDFL-NSHDSACASA-N 1 1 193.290 1.653 10 30 ADEEMO C#CCC[N@@H+]1CCC[C@@](O)(C2CC2)C1 852501692 583207409 /nfs/dbraw/zinc/20/74/09/583207409.db2.gz SCCRPKADPXVYGS-LBPRGKRZSA-N 1 1 193.290 1.247 10 30 ADEEMO CC#CCC[N@H+](CCF)CCOC 852481248 583207453 /nfs/dbraw/zinc/20/74/53/583207453.db2.gz JTFUPQNMZYMLIL-UHFFFAOYSA-N 1 1 187.258 1.318 10 30 ADEEMO C=C(C)C[N@@H+](CCF)CCOC 852483366 583207769 /nfs/dbraw/zinc/20/77/69/583207769.db2.gz HDPGTJZKSLHRFG-UHFFFAOYSA-N 1 1 175.247 1.480 10 30 ADEEMO C=C(C)C[N@H+](CCF)CCOC 852483366 583207771 /nfs/dbraw/zinc/20/77/71/583207771.db2.gz HDPGTJZKSLHRFG-UHFFFAOYSA-N 1 1 175.247 1.480 10 30 ADEEMO C=CC[N@H+](CCC(C)=O)[C@@H](C)COC 852358687 583207825 /nfs/dbraw/zinc/20/78/25/583207825.db2.gz YIEFSEUQEFTLFW-JTQLQIEISA-N 1 1 199.294 1.488 10 30 ADEEMO C#CCC[N@@H+]1CCC[C@](O)(C2CC2)C1 852501691 583207880 /nfs/dbraw/zinc/20/78/80/583207880.db2.gz SCCRPKADPXVYGS-GFCCVEGCSA-N 1 1 193.290 1.247 10 30 ADEEMO C#CCCC[N@@H+]1C[C@H]2COC[C@@]2(C)C1 852534400 583208192 /nfs/dbraw/zinc/20/81/92/583208192.db2.gz LUQMZFVXLZXKJE-NWDGAFQWSA-N 1 1 193.290 1.368 10 30 ADEEMO C#CCCC[N@@H+]1C[C@@H]2COC[C@@]2(C)C1 852534402 583208508 /nfs/dbraw/zinc/20/85/08/583208508.db2.gz LUQMZFVXLZXKJE-VXGBXAGGSA-N 1 1 193.290 1.368 10 30 ADEEMO C#CCCC[N@@H+]1C[C@@H]2COC[C@]2(C)C1 852534399 583208521 /nfs/dbraw/zinc/20/85/21/583208521.db2.gz LUQMZFVXLZXKJE-NEPJUHHUSA-N 1 1 193.290 1.368 10 30 ADEEMO C=C(Cl)C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 852537111 583208662 /nfs/dbraw/zinc/20/86/62/583208662.db2.gz QQIWXJSODBAKFN-DTWKUNHWSA-N 1 1 187.670 1.196 10 30 ADEEMO C=C(Cl)C[N@H+]1CC[C@@]2(O)C[C@H]2C1 852537111 583208666 /nfs/dbraw/zinc/20/86/66/583208666.db2.gz QQIWXJSODBAKFN-DTWKUNHWSA-N 1 1 187.670 1.196 10 30 ADEEMO C#CCCC[N@@H+]1C[C@H]2COC[C@]2(C)C1 852534401 583209202 /nfs/dbraw/zinc/20/92/02/583209202.db2.gz LUQMZFVXLZXKJE-RYUDHWBXSA-N 1 1 193.290 1.368 10 30 ADEEMO C#CCCC[N@H+]1CCC2(COC2)C1 852683351 583209674 /nfs/dbraw/zinc/20/96/74/583209674.db2.gz IOSNLAQKVNOJDC-UHFFFAOYSA-N 1 1 179.263 1.122 10 30 ADEEMO C#CC[N@@H+]1CC2(CCCC2)OC[C@H]1C 852638043 583209747 /nfs/dbraw/zinc/20/97/47/583209747.db2.gz LGUJDTLTAHHCCG-LLVKDONJSA-N 1 1 193.290 1.653 10 30 ADEEMO CCC(=O)CC[N@@H+]1CC[C@](C)(C#N)C1 852687904 583209937 /nfs/dbraw/zinc/20/99/37/583209937.db2.gz XGKVRCSKUQOSHA-LLVKDONJSA-N 1 1 194.278 1.591 10 30 ADEEMO CCC(=O)CC[N@H+]1CC[C@](C)(C#N)C1 852687904 583209939 /nfs/dbraw/zinc/20/99/39/583209939.db2.gz XGKVRCSKUQOSHA-LLVKDONJSA-N 1 1 194.278 1.591 10 30 ADEEMO C#CC[N@@H+]1CC2(CCCC2)OC[C@@H]1C 852638044 583209969 /nfs/dbraw/zinc/20/99/69/583209969.db2.gz LGUJDTLTAHHCCG-NSHDSACASA-N 1 1 193.290 1.653 10 30 ADEEMO C=C(Cl)C[N@H+]1CCC2(COC2)C1 852683488 583210082 /nfs/dbraw/zinc/21/00/82/583210082.db2.gz YFXUNGATMRYOAO-UHFFFAOYSA-N 1 1 187.670 1.461 10 30 ADEEMO CCC(=O)CC[N@@H+]1CC[C@@](C)(C#N)C1 852687905 583210305 /nfs/dbraw/zinc/21/03/05/583210305.db2.gz XGKVRCSKUQOSHA-NSHDSACASA-N 1 1 194.278 1.591 10 30 ADEEMO CCC(=O)CC[N@H+]1CC[C@@](C)(C#N)C1 852687905 583210309 /nfs/dbraw/zinc/21/03/09/583210309.db2.gz XGKVRCSKUQOSHA-NSHDSACASA-N 1 1 194.278 1.591 10 30 ADEEMO C#CCC[N@H+](CCOC)CC(=C)C 852751848 583210680 /nfs/dbraw/zinc/21/06/80/583210680.db2.gz HXZDTGOWBVBIST-UHFFFAOYSA-N 1 1 181.279 1.534 10 30 ADEEMO C#CCC[N@H+](CCCC#N)CCOC 852749793 583210959 /nfs/dbraw/zinc/21/09/59/583210959.db2.gz GRDGNGZHMAIZGW-UHFFFAOYSA-N 1 1 194.278 1.262 10 30 ADEEMO C#CCOCC[N@H+](C)C[C@H]1CC1(C)C 852771260 583211144 /nfs/dbraw/zinc/21/11/44/583211144.db2.gz CRJMOKYPCRGFOB-LLVKDONJSA-N 1 1 195.306 1.614 10 30 ADEEMO C#CCC[N@@H+](CC=C(C)C)CCOC 852748615 583211193 /nfs/dbraw/zinc/21/11/93/583211193.db2.gz DYISLEHGOTUFHQ-UHFFFAOYSA-N 1 1 195.306 1.924 10 30 ADEEMO C#CCCNC(C)(C)C[N@@H+](C)CCC 852716874 583211253 /nfs/dbraw/zinc/21/12/53/583211253.db2.gz VEYQLJBIDQKTNJ-UHFFFAOYSA-N 1 1 196.338 1.720 10 30 ADEEMO C#CCCNC(C)(C)C[N@H+](C)CCC 852716874 583211255 /nfs/dbraw/zinc/21/12/55/583211255.db2.gz VEYQLJBIDQKTNJ-UHFFFAOYSA-N 1 1 196.338 1.720 10 30 ADEEMO C#CCC[N@H+](C)CC1=CCSC1 852747389 583211396 /nfs/dbraw/zinc/21/13/96/583211396.db2.gz GSVLZFIWQVAPFW-UHFFFAOYSA-N 1 1 181.304 1.615 10 30 ADEEMO C#CCC[N@H+](CCOC)CC1CC1 852751569 583211420 /nfs/dbraw/zinc/21/14/20/583211420.db2.gz ARLIXZKQZQAEPN-UHFFFAOYSA-N 1 1 181.279 1.368 10 30 ADEEMO C#CCNC(C)(C)C[N@H+](C)CCC 852715553 583211432 /nfs/dbraw/zinc/21/14/32/583211432.db2.gz PJZLXBDWVMMNPQ-UHFFFAOYSA-N 1 1 182.311 1.330 10 30 ADEEMO C#CC[NH2+]C(C)(C)CN(C)CCC 852715553 583211433 /nfs/dbraw/zinc/21/14/33/583211433.db2.gz PJZLXBDWVMMNPQ-UHFFFAOYSA-N 1 1 182.311 1.330 10 30 ADEEMO C#CCOCC[N@H+](C)C[C@@H]1CC1(C)C 852771261 583211456 /nfs/dbraw/zinc/21/14/56/583211456.db2.gz CRJMOKYPCRGFOB-NSHDSACASA-N 1 1 195.306 1.614 10 30 ADEEMO C#CCC[N@@H+](CCC)CCOC 852751544 583211749 /nfs/dbraw/zinc/21/17/49/583211749.db2.gz HFDKJALJFVJOQP-UHFFFAOYSA-N 1 1 169.268 1.368 10 30 ADEEMO C#CCC[N@H+](CCOC)CCC1CC1 852748563 583211839 /nfs/dbraw/zinc/21/18/39/583211839.db2.gz DGSMMALSSRHNBC-UHFFFAOYSA-N 1 1 195.306 1.758 10 30 ADEEMO C#CCC[N@@H+]1CC2CC1(C)C2 852787793 583211917 /nfs/dbraw/zinc/21/19/17/583211917.db2.gz ZVCTUYWNRIPADM-UHFFFAOYSA-N 1 1 149.237 1.494 10 30 ADEEMO C[C@H](C#N)OCC[N@H+]1CC2CC1(C)C2 852787775 583212217 /nfs/dbraw/zinc/21/22/17/583212217.db2.gz ZJWYCTOJUOBZAF-KPPDAEKUSA-N 1 1 194.278 1.399 10 30 ADEEMO C#CCOCC[N@@H+]1CC2CC1(C)C2 852785860 583212304 /nfs/dbraw/zinc/21/23/04/583212304.db2.gz IAUXBWGCYGLJEX-UHFFFAOYSA-N 1 1 179.263 1.121 10 30 ADEEMO C#CCCC[N@@H+]1CC2CC1(C)C2 852786150 583212344 /nfs/dbraw/zinc/21/23/44/583212344.db2.gz KUJMPCRRLLPHSY-UHFFFAOYSA-N 1 1 163.264 1.884 10 30 ADEEMO CC12CC(C[N@H+]1CCOCCC#N)C2 852786739 583212350 /nfs/dbraw/zinc/21/23/50/583212350.db2.gz PEXQSTUCPQKOTJ-UHFFFAOYSA-N 1 1 194.278 1.401 10 30 ADEEMO C[C@@H](C#N)OCC[N@H+]1CC2CC1(C)C2 852787777 583212451 /nfs/dbraw/zinc/21/24/51/583212451.db2.gz ZJWYCTOJUOBZAF-WHXUTIOJSA-N 1 1 194.278 1.399 10 30 ADEEMO C#CCOCCn1cc[nH+]c1CC 853019031 583215331 /nfs/dbraw/zinc/21/53/31/583215331.db2.gz CKJHRMJOPXRMOC-UHFFFAOYSA-N 1 1 178.235 1.095 10 30 ADEEMO C#CCOCCn1cc[nH+]c1CCC 853019149 583215463 /nfs/dbraw/zinc/21/54/63/583215463.db2.gz HVKANQXPFWSEKI-UHFFFAOYSA-N 1 1 192.262 1.485 10 30 ADEEMO C#CC[N@H+]1CC[C@@H]2CCCC[C@@H]21 111249611 583221515 /nfs/dbraw/zinc/22/15/15/583221515.db2.gz DPWYXNHFRRFXTF-QWRGUYRKSA-N 1 1 163.264 1.884 10 30 ADEEMO C[C@@H]1CC(=NOCC2CCC2)C[N@H+]1C 853439098 583224432 /nfs/dbraw/zinc/22/44/32/583224432.db2.gz AZIFSYVBFNWYCZ-SECBINFHSA-N 1 1 196.294 1.883 10 30 ADEEMO C[C@@H]1C[N@@H+](C)CC1=NOCC1CCC1 853439130 583223834 /nfs/dbraw/zinc/22/38/34/583223834.db2.gz BYIAMUFKJJGCOO-SECBINFHSA-N 1 1 196.294 1.741 10 30 ADEEMO C[C@H]1CC(=NOCC2CCC2)C[N@H+]1C 853439099 583223856 /nfs/dbraw/zinc/22/38/56/583223856.db2.gz AZIFSYVBFNWYCZ-VIFPVBQESA-N 1 1 196.294 1.883 10 30 ADEEMO C[C@H]1C[N@@H+](C)CC1=NOCC1CCC1 853439131 583224221 /nfs/dbraw/zinc/22/42/21/583224221.db2.gz BYIAMUFKJJGCOO-VIFPVBQESA-N 1 1 196.294 1.741 10 30 ADEEMO C=C(Cl)CO[NH+]=C(N)[C@@H]1C[C@H]1C 853732060 583230523 /nfs/dbraw/zinc/23/05/23/583230523.db2.gz VVHOYPPGWKRZJD-IYSWYEEDSA-N 1 1 188.658 1.893 10 30 ADEEMO C=C(Cl)CO[NH+]=C(N)[C@H]1C[C@H]1C 853732111 583230574 /nfs/dbraw/zinc/23/05/74/583230574.db2.gz VVHOYPPGWKRZJD-VDTYLAMSSA-N 1 1 188.658 1.893 10 30 ADEEMO C=C(Cl)CO[NH+]=C(N)[C@@H]1C[C@@H]1C 853732058 583230914 /nfs/dbraw/zinc/23/09/14/583230914.db2.gz VVHOYPPGWKRZJD-CAHLUQPWSA-N 1 1 188.658 1.893 10 30 ADEEMO C=C(Cl)CO[NH+]=C(N)[C@H]1C[C@@H]1C 853732059 583230986 /nfs/dbraw/zinc/23/09/86/583230986.db2.gz VVHOYPPGWKRZJD-FSPLSTOPSA-N 1 1 188.658 1.893 10 30 ADEEMO C#CC[N@H+](CC)Cc1ccnc(C)c1 856726675 583258562 /nfs/dbraw/zinc/25/85/62/583258562.db2.gz APLOLCKSWXTJMS-UHFFFAOYSA-N 1 1 188.274 1.845 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)Cc1ccnc(C)c1 856737839 583258876 /nfs/dbraw/zinc/25/88/76/583258876.db2.gz COYRCESOYWYYBW-NSHDSACASA-N 1 1 188.274 1.844 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)Cc1ccnc(C)c1 856737838 583259447 /nfs/dbraw/zinc/25/94/47/583259447.db2.gz COYRCESOYWYYBW-LLVKDONJSA-N 1 1 188.274 1.844 10 30 ADEEMO C#C[C@@H](C)[NH2+]Cc1cn(C)nc1Cl 857045212 583260347 /nfs/dbraw/zinc/26/03/47/583260347.db2.gz CEQHDYNGFVHGJD-SSDOTTSWSA-N 1 1 197.669 1.185 10 30 ADEEMO C#C[C@H](C)[NH2+]Cc1cn(C)nc1Cl 857045213 583260852 /nfs/dbraw/zinc/26/08/52/583260852.db2.gz CEQHDYNGFVHGJD-ZETCQYMHSA-N 1 1 197.669 1.185 10 30 ADEEMO C=CCCC[N@H+](C)CN1CCC1=O 857232734 583262848 /nfs/dbraw/zinc/26/28/48/583262848.db2.gz KTFNOADEAOKTBN-UHFFFAOYSA-N 1 1 182.267 1.074 10 30 ADEEMO C=CCCCCC[C@H]([NH3+])C(=O)OC 115298627 583265271 /nfs/dbraw/zinc/26/52/71/583265271.db2.gz GLYOGBBOZCIQKV-VIFPVBQESA-N 1 1 185.267 1.623 10 30 ADEEMO C=C[C@@H](C)[NH2+][C@H]1CCCc2c[nH]nc21 857857047 583266529 /nfs/dbraw/zinc/26/65/29/583266529.db2.gz QMRJPSPTTOSPKJ-SCZZXKLOSA-N 1 1 191.278 1.951 10 30 ADEEMO C=CCC[NH2+][C@@H]1CCCc2c[nH]nc21 857869970 583266559 /nfs/dbraw/zinc/26/65/59/583266559.db2.gz BRUYGCBWTOLYKK-SNVBAGLBSA-N 1 1 191.278 1.953 10 30 ADEEMO C=C[C@H](C)[NH2+][C@H]1CCCc2c[nH]nc21 857857049 583266767 /nfs/dbraw/zinc/26/67/67/583266767.db2.gz QMRJPSPTTOSPKJ-WPRPVWTQSA-N 1 1 191.278 1.951 10 30 ADEEMO C=C[C@H](C)[NH2+][C@@H]1CCCc2c[nH]nc21 857857048 583266851 /nfs/dbraw/zinc/26/68/51/583266851.db2.gz QMRJPSPTTOSPKJ-WCBMZHEXSA-N 1 1 191.278 1.951 10 30 ADEEMO C=C[C@@H](C)[NH2+][C@@H]1CCCc2c[nH]nc21 857857046 583266913 /nfs/dbraw/zinc/26/69/13/583266913.db2.gz QMRJPSPTTOSPKJ-PSASIEDQSA-N 1 1 191.278 1.951 10 30 ADEEMO C=CCC[NH2+][C@H]1CCCc2c[nH]nc21 857869969 583267496 /nfs/dbraw/zinc/26/74/96/583267496.db2.gz BRUYGCBWTOLYKK-JTQLQIEISA-N 1 1 191.278 1.953 10 30 ADEEMO C=CC[C@@H]1CC[N@H+](C[C@H](O)C2CC2)C1 859446139 583279252 /nfs/dbraw/zinc/27/92/52/583279252.db2.gz VEBVYTXSFLYSEH-PWSUYJOCSA-N 1 1 195.306 1.655 10 30 ADEEMO C=CC[C@@H]1CC[N@H+](CC(OC)OC)C1 859445586 583279276 /nfs/dbraw/zinc/27/92/76/583279276.db2.gz LHWAPPDJPUDZJS-SNVBAGLBSA-N 1 1 199.294 1.503 10 30 ADEEMO C=CC[C@@H]1CC[N@H+](C[C@@H](O)C2CC2)C1 859446140 583279284 /nfs/dbraw/zinc/27/92/84/583279284.db2.gz VEBVYTXSFLYSEH-ZYHUDNBSSA-N 1 1 195.306 1.655 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+](Cc2cnon2)C1 859445802 583279296 /nfs/dbraw/zinc/27/92/96/583279296.db2.gz PEPYJGOYUQTDPU-SECBINFHSA-N 1 1 193.250 1.468 10 30 ADEEMO C=CC[C@H]1CC[N@H+](CC(OC)OC)C1 859445585 583279323 /nfs/dbraw/zinc/27/93/23/583279323.db2.gz LHWAPPDJPUDZJS-JTQLQIEISA-N 1 1 199.294 1.503 10 30 ADEEMO C#CC[N@H+](CC)C[C@H](OCC)C1CC1 859155574 583276577 /nfs/dbraw/zinc/27/65/77/583276577.db2.gz IUKSMPAEUVRZOK-LBPRGKRZSA-N 1 1 195.306 1.757 10 30 ADEEMO C#CC[N@H+](CC)CC1CC(OC)C1 859155519 583276892 /nfs/dbraw/zinc/27/68/92/583276892.db2.gz HLUOXZPJVGBSLL-UHFFFAOYSA-N 1 1 181.279 1.367 10 30 ADEEMO C#CC[N@@H+](CC)Cc1ccnc(F)c1 859157278 583277000 /nfs/dbraw/zinc/27/70/00/583277000.db2.gz YWLNGQARGPSGMG-UHFFFAOYSA-N 1 1 192.237 1.676 10 30 ADEEMO C#CC[N@H+](CC)Cc1ccnc(F)c1 859157278 583277002 /nfs/dbraw/zinc/27/70/02/583277002.db2.gz YWLNGQARGPSGMG-UHFFFAOYSA-N 1 1 192.237 1.676 10 30 ADEEMO C#CC[N@H+](CC)C[C@@H](OCC)C1CC1 859155571 583277068 /nfs/dbraw/zinc/27/70/68/583277068.db2.gz IUKSMPAEUVRZOK-GFCCVEGCSA-N 1 1 195.306 1.757 10 30 ADEEMO C#CC(C)(C)[N@H+](C)C[C@@H]1C[C@H]1C 859280062 583278198 /nfs/dbraw/zinc/27/81/98/583278198.db2.gz IKLDLHZGYABDKW-ZJUUUORDSA-N 1 1 165.280 1.986 10 30 ADEEMO C#C[C@H](C)[N@H+](C)CC1CC(OC)C1 859281580 583277668 /nfs/dbraw/zinc/27/76/68/583277668.db2.gz SZLXYPQGHQMZAL-WHXUTIOJSA-N 1 1 181.279 1.365 10 30 ADEEMO C#C[C@@H](C)[N@H+](C)C[C@@H](OCC)C1CC1 859281163 583277690 /nfs/dbraw/zinc/27/76/90/583277690.db2.gz OZKOLKAZYQSEHO-ZYHUDNBSSA-N 1 1 195.306 1.755 10 30 ADEEMO C#CC[N@H+](C)C[C@@H](OCC)C1CC1 859275910 583277771 /nfs/dbraw/zinc/27/77/71/583277771.db2.gz SQFAENLEAGKHEK-LLVKDONJSA-N 1 1 181.279 1.367 10 30 ADEEMO C#C[C@H](C)[N@H+](C)C[C@H](OCC)C1CC1 859281161 583277817 /nfs/dbraw/zinc/27/78/17/583277817.db2.gz OZKOLKAZYQSEHO-JQWIXIFHSA-N 1 1 195.306 1.755 10 30 ADEEMO C#C[C@H](C)[N@H+](C)Cc1ccnc(F)c1 859280472 583277853 /nfs/dbraw/zinc/27/78/53/583277853.db2.gz HWDVCAVORAFJFF-VIFPVBQESA-N 1 1 192.237 1.674 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)Cc1ccnc(F)c1 859280472 583277855 /nfs/dbraw/zinc/27/78/55/583277855.db2.gz HWDVCAVORAFJFF-VIFPVBQESA-N 1 1 192.237 1.674 10 30 ADEEMO C=CC[N@H+](C)CC1CC(OC)C1 859262362 583278004 /nfs/dbraw/zinc/27/80/04/583278004.db2.gz KQHKDNBEYZNXIN-UHFFFAOYSA-N 1 1 169.268 1.529 10 30 ADEEMO C#CC[N@H+](C)C[C@H](OCC)C1CC1 859275911 583278026 /nfs/dbraw/zinc/27/80/26/583278026.db2.gz SQFAENLEAGKHEK-NSHDSACASA-N 1 1 181.279 1.367 10 30 ADEEMO C#C[C@@H](C)[N@H+](C)CC1CC(OC)C1 859281578 583278062 /nfs/dbraw/zinc/27/80/62/583278062.db2.gz SZLXYPQGHQMZAL-KPPDAEKUSA-N 1 1 181.279 1.365 10 30 ADEEMO C#CC[N@@H+](C)Cc1ccnc(F)c1 859276493 583278065 /nfs/dbraw/zinc/27/80/65/583278065.db2.gz ZNCFXBDIWCKXHL-UHFFFAOYSA-N 1 1 178.210 1.286 10 30 ADEEMO C#CC[N@H+](C)Cc1ccnc(F)c1 859276493 583278067 /nfs/dbraw/zinc/27/80/67/583278067.db2.gz ZNCFXBDIWCKXHL-UHFFFAOYSA-N 1 1 178.210 1.286 10 30 ADEEMO CC#CC[N@H+](C)CC1CC(OC)C1 859319703 583278082 /nfs/dbraw/zinc/27/80/82/583278082.db2.gz ASOPYHZHWQIOQA-UHFFFAOYSA-N 1 1 181.279 1.367 10 30 ADEEMO C#C[C@@H](C)[N@H+](C)Cc1ccnc(F)c1 859280471 583278114 /nfs/dbraw/zinc/27/81/14/583278114.db2.gz HWDVCAVORAFJFF-SECBINFHSA-N 1 1 192.237 1.674 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)Cc1ccnc(F)c1 859280471 583278117 /nfs/dbraw/zinc/27/81/17/583278117.db2.gz HWDVCAVORAFJFF-SECBINFHSA-N 1 1 192.237 1.674 10 30 ADEEMO C#CC(C)(C)[N@H+](C)C[C@H]1C[C@H]1C 859280059 583278164 /nfs/dbraw/zinc/27/81/64/583278164.db2.gz IKLDLHZGYABDKW-NXEZZACHSA-N 1 1 165.280 1.986 10 30 ADEEMO C#C[C@H](C)[N@H+](C)C[C@@H](OCC)C1CC1 859281160 583278169 /nfs/dbraw/zinc/27/81/69/583278169.db2.gz OZKOLKAZYQSEHO-CMPLNLGQSA-N 1 1 195.306 1.755 10 30 ADEEMO C=CCC[N@H+](C)CC1CC(OC)C1 859274213 583278192 /nfs/dbraw/zinc/27/81/92/583278192.db2.gz ODIVENMRGULGCH-UHFFFAOYSA-N 1 1 183.295 1.919 10 30 ADEEMO C#C[C@@H](C)[N@H+](C)C[C@H](OCC)C1CC1 859281162 583278205 /nfs/dbraw/zinc/27/82/05/583278205.db2.gz OZKOLKAZYQSEHO-PWSUYJOCSA-N 1 1 195.306 1.755 10 30 ADEEMO C=CC[N@@H+](C)Cc1ccnc(F)c1 859261509 583278270 /nfs/dbraw/zinc/27/82/70/583278270.db2.gz CPILVFRSNSVUOV-UHFFFAOYSA-N 1 1 180.226 1.839 10 30 ADEEMO C=CC[N@H+](C)Cc1ccnc(F)c1 859261509 583278275 /nfs/dbraw/zinc/27/82/75/583278275.db2.gz CPILVFRSNSVUOV-UHFFFAOYSA-N 1 1 180.226 1.839 10 30 ADEEMO C#CC(C)(C)[N@H+](C)C[C@H]1C[C@@H]1C 859280061 583278291 /nfs/dbraw/zinc/27/82/91/583278291.db2.gz IKLDLHZGYABDKW-VHSXEESVSA-N 1 1 165.280 1.986 10 30 ADEEMO C#CC[N@H+](C)Cc1ccc(C)c(C#N)c1 859275367 583278316 /nfs/dbraw/zinc/27/83/16/583278316.db2.gz INSRGUDQTGRRLB-UHFFFAOYSA-N 1 1 198.269 1.932 10 30 ADEEMO CC#CC[N@H+](C)Cc1ccnc(F)c1 859321050 583278387 /nfs/dbraw/zinc/27/83/87/583278387.db2.gz UBJHJOPIBPYEKS-UHFFFAOYSA-N 1 1 192.237 1.676 10 30 ADEEMO CC#CC[N@@H+](C)Cc1ccnc(F)c1 859321050 583278389 /nfs/dbraw/zinc/27/83/89/583278389.db2.gz UBJHJOPIBPYEKS-UHFFFAOYSA-N 1 1 192.237 1.676 10 30 ADEEMO C#CC[N@H+](CC1CC(OC)C1)C1CC1 859253043 583278403 /nfs/dbraw/zinc/27/84/03/583278403.db2.gz VXIBKAUOBZFKSF-UHFFFAOYSA-N 1 1 193.290 1.509 10 30 ADEEMO C#CC(C)(C)[N@H+](C)C[C@@H]1C[C@@H]1C 859280060 583278531 /nfs/dbraw/zinc/27/85/31/583278531.db2.gz IKLDLHZGYABDKW-UWVGGRQHSA-N 1 1 165.280 1.986 10 30 ADEEMO C=C(C)C[N@H+](C)CC1CC(OC)C1 859238908 583278563 /nfs/dbraw/zinc/27/85/63/583278563.db2.gz IFGHLTPJKGCKAG-UHFFFAOYSA-N 1 1 183.295 1.919 10 30 ADEEMO C=CC[C@H]1CC[N@@H+](Cc2cnon2)C1 859445803 583279166 /nfs/dbraw/zinc/27/91/66/583279166.db2.gz PEPYJGOYUQTDPU-VIFPVBQESA-N 1 1 193.250 1.468 10 30 ADEEMO C=CC[C@@H]1CC[N@H+](CCF)C1 859445939 583279183 /nfs/dbraw/zinc/27/91/83/583279183.db2.gz RQWQSMGUJBJFHZ-SECBINFHSA-N 1 1 157.232 1.854 10 30 ADEEMO C=CC[C@H]1CC[N@H+](CCC(C)=O)C1 859443894 583279427 /nfs/dbraw/zinc/27/94/27/583279427.db2.gz WRJYUICCSALFFG-NSHDSACASA-N 1 1 181.279 1.864 10 30 ADEEMO C=CC[C@H]1CC[N@H+](CCF)C1 859445953 583279590 /nfs/dbraw/zinc/27/95/90/583279590.db2.gz RQWQSMGUJBJFHZ-VIFPVBQESA-N 1 1 157.232 1.854 10 30 ADEEMO C=CC[C@H]1CC[N@H+](C[C@H](O)C2CC2)C1 859446138 583279746 /nfs/dbraw/zinc/27/97/46/583279746.db2.gz VEBVYTXSFLYSEH-JQWIXIFHSA-N 1 1 195.306 1.655 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+](CC2OCCO2)C1 859446352 583279735 /nfs/dbraw/zinc/27/97/35/583279735.db2.gz XYNZYTVFHTVGIZ-SNVBAGLBSA-N 1 1 197.278 1.257 10 30 ADEEMO C=CC[C@H]1CC[N@H+](C[C@@H](O)C2CC2)C1 859446137 583279847 /nfs/dbraw/zinc/27/98/47/583279847.db2.gz VEBVYTXSFLYSEH-CMPLNLGQSA-N 1 1 195.306 1.655 10 30 ADEEMO C=CC[C@@H]1CC[N@H+](CCC(C)=O)C1 859443893 583279915 /nfs/dbraw/zinc/27/99/15/583279915.db2.gz WRJYUICCSALFFG-LLVKDONJSA-N 1 1 181.279 1.864 10 30 ADEEMO C=CC[C@H]1CC[N@@H+](CC2OCCO2)C1 859446351 583279952 /nfs/dbraw/zinc/27/99/52/583279952.db2.gz XYNZYTVFHTVGIZ-JTQLQIEISA-N 1 1 197.278 1.257 10 30 ADEEMO C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 859924639 583282073 /nfs/dbraw/zinc/28/20/73/583282073.db2.gz NBSMMWXSKBWSIT-NWDGAFQWSA-N 1 1 193.290 1.104 10 30 ADEEMO C#CCCC[N@@H+]1CC[C@@H](CO)C[C@H]1C 860088223 583282549 /nfs/dbraw/zinc/28/25/49/583282549.db2.gz PGHSIHXKRSBGFH-VXGBXAGGSA-N 1 1 195.306 1.493 10 30 ADEEMO C=CCCOC(=O)Cn1c[nH+]cc1C 859947006 583282820 /nfs/dbraw/zinc/28/28/20/583282820.db2.gz XQNNLMBSPAJKOU-UHFFFAOYSA-N 1 1 194.234 1.311 10 30 ADEEMO C=C(C)COC(=O)Cn1c[nH+]cc1C 859948570 583282861 /nfs/dbraw/zinc/28/28/61/583282861.db2.gz XIFDBGQPSTYXGY-UHFFFAOYSA-N 1 1 194.234 1.311 10 30 ADEEMO C=C(C)CC[N@@H+]1C[C@H]2C(=O)OC[C@H]2C1 860164580 583283168 /nfs/dbraw/zinc/28/31/68/583283168.db2.gz LPRVJMHJSXQPMW-NXEZZACHSA-N 1 1 195.262 1.057 10 30 ADEEMO C=CCCC[N@@H+]1C[C@H]2C(=O)OC[C@H]2C1 860159659 583283186 /nfs/dbraw/zinc/28/31/86/583283186.db2.gz MOTRQGPEUDBHDF-NXEZZACHSA-N 1 1 195.262 1.057 10 30 ADEEMO C=C(CC)C[N@@H+]1C[C@H]2C(=O)OC[C@H]2C1 860163864 583283228 /nfs/dbraw/zinc/28/32/28/583283228.db2.gz BRQODGOFHSWKHZ-NXEZZACHSA-N 1 1 195.262 1.057 10 30 ADEEMO C#CCCC[N@@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 860130510 583283267 /nfs/dbraw/zinc/28/32/67/583283267.db2.gz DKQNATDMHGDCOG-QJPTWQEYSA-N 1 1 193.290 1.245 10 30 ADEEMO C#CCC[N@@H+]1CC[C@@H](CO)C[C@H]1C 860088847 583283406 /nfs/dbraw/zinc/28/34/06/583283406.db2.gz VXPSGVZKHCGENA-GHMZBOCLSA-N 1 1 181.279 1.103 10 30 ADEEMO C=C[C@H](C)OC(=O)Cn1c[nH+]cc1C 860680981 583286718 /nfs/dbraw/zinc/28/67/18/583286718.db2.gz AHKIXUGAKNSRED-VIFPVBQESA-N 1 1 194.234 1.309 10 30 ADEEMO C=C[C@@H](C)OC(=O)Cn1c[nH+]cc1C 860680980 583286829 /nfs/dbraw/zinc/28/68/29/583286829.db2.gz AHKIXUGAKNSRED-SECBINFHSA-N 1 1 194.234 1.309 10 30 ADEEMO C#CC[N@@H+](CC)Cc1cnc(C)o1 862233439 583296819 /nfs/dbraw/zinc/29/68/19/583296819.db2.gz LWFAXMJZAOBZNF-UHFFFAOYSA-N 1 1 178.235 1.438 10 30 ADEEMO C#CC[N@H+](CC)Cc1cnc(C)o1 862233439 583296820 /nfs/dbraw/zinc/29/68/20/583296820.db2.gz LWFAXMJZAOBZNF-UHFFFAOYSA-N 1 1 178.235 1.438 10 30 ADEEMO C#C[C@@H](C)N[C@H]1CC[N@@H+](C)C(C)(C)C1 862363190 583297546 /nfs/dbraw/zinc/29/75/46/583297546.db2.gz LPSWCMARTOOVRQ-MNOVXSKESA-N 1 1 194.322 1.471 10 30 ADEEMO C#C[C@@H](C)[NH2+][C@H]1CCN(C)C(C)(C)C1 862363190 583297554 /nfs/dbraw/zinc/29/75/54/583297554.db2.gz LPSWCMARTOOVRQ-MNOVXSKESA-N 1 1 194.322 1.471 10 30 ADEEMO C#C[C@H](C)N[C@@H]1CC[N@@H+](C)C(C)(C)C1 862363192 583297611 /nfs/dbraw/zinc/29/76/11/583297611.db2.gz LPSWCMARTOOVRQ-WDEREUQCSA-N 1 1 194.322 1.471 10 30 ADEEMO C#C[C@H](C)[NH2+][C@@H]1CCN(C)C(C)(C)C1 862363192 583297619 /nfs/dbraw/zinc/29/76/19/583297619.db2.gz LPSWCMARTOOVRQ-WDEREUQCSA-N 1 1 194.322 1.471 10 30 ADEEMO C#C[C@H](C)N[C@H]1CC[N@@H+](C)C(C)(C)C1 862363191 583298271 /nfs/dbraw/zinc/29/82/71/583298271.db2.gz LPSWCMARTOOVRQ-QWRGUYRKSA-N 1 1 194.322 1.471 10 30 ADEEMO C#C[C@H](C)[NH2+][C@H]1CCN(C)C(C)(C)C1 862363191 583298277 /nfs/dbraw/zinc/29/82/77/583298277.db2.gz LPSWCMARTOOVRQ-QWRGUYRKSA-N 1 1 194.322 1.471 10 30 ADEEMO C#C[C@H](C)[N@H+](C)Cc1cnc(C)o1 862349262 583297985 /nfs/dbraw/zinc/29/79/85/583297985.db2.gz VEHXXFHISIXBCF-QMMMGPOBSA-N 1 1 178.235 1.437 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)Cc1cnc(C)o1 862349262 583297989 /nfs/dbraw/zinc/29/79/89/583297989.db2.gz VEHXXFHISIXBCF-QMMMGPOBSA-N 1 1 178.235 1.437 10 30 ADEEMO C[N@H+]1CC[C@H](NCCC#N)CC1(C)C 862352159 583298196 /nfs/dbraw/zinc/29/81/96/583298196.db2.gz YPDVGXJLWWEYPZ-JTQLQIEISA-N 1 1 195.310 1.362 10 30 ADEEMO C#C[C@@H](C)[N@H+](C)Cc1cnc(C)o1 862349261 583298223 /nfs/dbraw/zinc/29/82/23/583298223.db2.gz VEHXXFHISIXBCF-MRVPVSSYSA-N 1 1 178.235 1.437 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)Cc1cnc(C)o1 862349261 583298226 /nfs/dbraw/zinc/29/82/26/583298226.db2.gz VEHXXFHISIXBCF-MRVPVSSYSA-N 1 1 178.235 1.437 10 30 ADEEMO C#C[C@@H](C)N[C@@H]1CC[N@@H+](C)C(C)(C)C1 862363189 583298355 /nfs/dbraw/zinc/29/83/55/583298355.db2.gz LPSWCMARTOOVRQ-GHMZBOCLSA-N 1 1 194.322 1.471 10 30 ADEEMO C#C[C@@H](C)[NH2+][C@@H]1CCN(C)C(C)(C)C1 862363189 583298364 /nfs/dbraw/zinc/29/83/64/583298364.db2.gz LPSWCMARTOOVRQ-GHMZBOCLSA-N 1 1 194.322 1.471 10 30 ADEEMO C[N@H+]1CC[C@@H](NCCC#N)CC1(C)C 862352160 583298399 /nfs/dbraw/zinc/29/83/99/583298399.db2.gz YPDVGXJLWWEYPZ-SNVBAGLBSA-N 1 1 195.310 1.362 10 30 ADEEMO C#CC[C@@H]1CC[N@H+](C[C@@H]2C[C@@H]2C)C1 862444914 583298803 /nfs/dbraw/zinc/29/88/03/583298803.db2.gz IUXHIFXITMBIKM-TUAOUCFPSA-N 1 1 177.291 1.988 10 30 ADEEMO C#CC[C@@H]1CC[N@H+](C[C@@H]2C[C@H]2C)C1 862444915 583299018 /nfs/dbraw/zinc/29/90/18/583299018.db2.gz IUXHIFXITMBIKM-UTUOFQBUSA-N 1 1 177.291 1.988 10 30 ADEEMO C#CC[C@H]1CC[N@@H+](Cc2ncc[nH]2)C1 862442146 583299035 /nfs/dbraw/zinc/29/90/35/583299035.db2.gz AWLTUGHXZMFEQH-JTQLQIEISA-N 1 1 189.262 1.255 10 30 ADEEMO C#CC[C@H]1CC[N@H+](C[C@@H](C)COC)C1 862444845 583299138 /nfs/dbraw/zinc/29/91/38/583299138.db2.gz HPMTYSOFKKNPEZ-NEPJUHHUSA-N 1 1 195.306 1.614 10 30 ADEEMO C#CC[C@@H]1CC[N@H+](C[C@H]2C[C@H]2C)C1 862444912 583299147 /nfs/dbraw/zinc/29/91/47/583299147.db2.gz IUXHIFXITMBIKM-IJLUTSLNSA-N 1 1 177.291 1.988 10 30 ADEEMO C#CC[C@@H]1CC[N@H+](CC(C)C)C1 862445470 583299159 /nfs/dbraw/zinc/29/91/59/583299159.db2.gz UTWXXFKKXXMBKI-LLVKDONJSA-N 1 1 165.280 1.988 10 30 ADEEMO C#CC[C@H]1CC[N@@H+](Cc2cc[nH]n2)C1 862444908 583299231 /nfs/dbraw/zinc/29/92/31/583299231.db2.gz IRJOWIMTTGXZKA-JTQLQIEISA-N 1 1 189.262 1.255 10 30 ADEEMO C#CC[C@@H]1CC[N@@H+](Cc2ncc[nH]2)C1 862442147 583299241 /nfs/dbraw/zinc/29/92/41/583299241.db2.gz AWLTUGHXZMFEQH-SNVBAGLBSA-N 1 1 189.262 1.255 10 30 ADEEMO C#CC[C@@H]1CC[N@H+](C[C@H](C)COC)C1 862444847 583299386 /nfs/dbraw/zinc/29/93/86/583299386.db2.gz HPMTYSOFKKNPEZ-NWDGAFQWSA-N 1 1 195.306 1.614 10 30 ADEEMO C#CC[C@H]1CC[N@H+](C[C@H](C)COC)C1 862444849 583299400 /nfs/dbraw/zinc/29/94/00/583299400.db2.gz HPMTYSOFKKNPEZ-RYUDHWBXSA-N 1 1 195.306 1.614 10 30 ADEEMO C#CC[C@H]1CC[N@H+](CC(C)C)C1 862445471 583299474 /nfs/dbraw/zinc/29/94/74/583299474.db2.gz UTWXXFKKXXMBKI-NSHDSACASA-N 1 1 165.280 1.988 10 30 ADEEMO C#CC[C@@H]1CC[N@@H+](Cc2cc[nH]n2)C1 862444909 583299479 /nfs/dbraw/zinc/29/94/79/583299479.db2.gz IRJOWIMTTGXZKA-SNVBAGLBSA-N 1 1 189.262 1.255 10 30 ADEEMO C#CC[C@@H]1CC[N@H+](C[C@@H](C)COC)C1 862444850 583299522 /nfs/dbraw/zinc/29/95/22/583299522.db2.gz HPMTYSOFKKNPEZ-VXGBXAGGSA-N 1 1 195.306 1.614 10 30 ADEEMO C#CC[C@@H]1CC[N@H+](C[C@H]2C[C@@H]2C)C1 862444913 583299601 /nfs/dbraw/zinc/29/96/01/583299601.db2.gz IUXHIFXITMBIKM-QJPTWQEYSA-N 1 1 177.291 1.988 10 30 ADEEMO C#CC[C@@H]1CC[N@@H+](Cc2cn[nH]c2)C1 862445689 583299890 /nfs/dbraw/zinc/29/98/90/583299890.db2.gz ZPNMGVWAZIXRNE-SNVBAGLBSA-N 1 1 189.262 1.255 10 30 ADEEMO C#CC[C@@H]1CC[N@@H+](CC2CC2)C1 862445683 583299931 /nfs/dbraw/zinc/29/99/31/583299931.db2.gz ZOFJREMZHOTSHN-SNVBAGLBSA-N 1 1 163.264 1.742 10 30 ADEEMO C#CC[C@H]1CC[N@@H+](CC2CC2)C1 862445682 583299946 /nfs/dbraw/zinc/29/99/46/583299946.db2.gz ZOFJREMZHOTSHN-JTQLQIEISA-N 1 1 163.264 1.742 10 30 ADEEMO C#CC[C@@H]1CC[N@H+](CC2(F)CC2)C1 862446829 583299981 /nfs/dbraw/zinc/29/99/81/583299981.db2.gz GDQOTDIBSMBILL-SNVBAGLBSA-N 1 1 181.254 1.834 10 30 ADEEMO C#CC[C@H]1CC[N@@H+](Cc2cn[nH]c2)C1 862445688 583300181 /nfs/dbraw/zinc/30/01/81/583300181.db2.gz ZPNMGVWAZIXRNE-JTQLQIEISA-N 1 1 189.262 1.255 10 30 ADEEMO C#CC[C@H]1CC[N@H+](CC2(F)CC2)C1 862446828 583300367 /nfs/dbraw/zinc/30/03/67/583300367.db2.gz GDQOTDIBSMBILL-JTQLQIEISA-N 1 1 181.254 1.834 10 30 ADEEMO CCON=C1CC[N@@H+](C)C(C)(C)C1 863077206 583302978 /nfs/dbraw/zinc/30/29/78/583302978.db2.gz MDTPWDGOSHIFOR-UHFFFAOYSA-N 1 1 184.283 1.883 10 30 ADEEMO CON=C1CC[N@@H+](C)C(C)(C)C1 863079640 583303001 /nfs/dbraw/zinc/30/30/01/583303001.db2.gz UYIUTBFKQAVPSM-UHFFFAOYSA-N 1 1 170.256 1.493 10 30 ADEEMO C[NH+]1CCN(N=C[C@@H]2CC23CC3)CC1 863064669 583303096 /nfs/dbraw/zinc/30/30/96/583303096.db2.gz NAAJPJKPTPCRLX-JTQLQIEISA-N 1 1 193.294 1.020 10 30 ADEEMO C[NH+]1CCN(N=C[C@H]2CC23CC3)CC1 863064670 583303128 /nfs/dbraw/zinc/30/31/28/583303128.db2.gz NAAJPJKPTPCRLX-SNVBAGLBSA-N 1 1 193.294 1.020 10 30 ADEEMO CC(C)ON=C1C[N@@H+]2CCC[C@H]1C2 863115972 583304026 /nfs/dbraw/zinc/30/40/26/583304026.db2.gz FJFLIYZSXWJAEX-VIFPVBQESA-N 1 1 182.267 1.493 10 30 ADEEMO C[C@H]1C[C@@H]1C=[NH+]n1cccn1 863164626 583304642 /nfs/dbraw/zinc/30/46/42/583304642.db2.gz PZUSIGODKSFHRW-JGVFFNPUSA-N 1 1 149.197 1.373 10 30 ADEEMO CC[C@H]1CCC1=[NH+]n1cccn1 863163608 583305167 /nfs/dbraw/zinc/30/51/67/583305167.db2.gz KKXSMAWTCSQQKV-QMMMGPOBSA-N 1 1 163.224 1.907 10 30 ADEEMO CC(=[NH+]n1cccn1)[C@H]1CCCOC1 863164163 583306268 /nfs/dbraw/zinc/30/62/68/583306268.db2.gz CWPOCWFIMDDBTA-JTQLQIEISA-N 1 1 193.250 1.534 10 30 ADEEMO C[C@H]1C[C@H]1C=[NH+]n1cccn1 863164628 583304874 /nfs/dbraw/zinc/30/48/74/583304874.db2.gz PZUSIGODKSFHRW-YUMQZZPRSA-N 1 1 149.197 1.373 10 30 ADEEMO C[C@@H]1C[C@H]1C=[NH+]n1cccn1 863164627 583304942 /nfs/dbraw/zinc/30/49/42/583304942.db2.gz PZUSIGODKSFHRW-SFYZADRCSA-N 1 1 149.197 1.373 10 30 ADEEMO CO[C@@H]1CCCC(=[NH+]n2cccn2)C1 863163683 583305171 /nfs/dbraw/zinc/30/51/71/583305171.db2.gz MCPRHNXBZWPNIX-SNVBAGLBSA-N 1 1 193.250 1.676 10 30 ADEEMO CC1(C)CCC1=[NH+]n1cccn1 863163409 583305275 /nfs/dbraw/zinc/30/52/75/583305275.db2.gz BIAYJTCFVAYSJO-UHFFFAOYSA-N 1 1 163.224 1.907 10 30 ADEEMO CC(=[NH+]n1cccn1)C1CCC1 863164441 583305324 /nfs/dbraw/zinc/30/53/24/583305324.db2.gz KCAUSWZLNDFLPQ-UHFFFAOYSA-N 1 1 163.224 1.907 10 30 ADEEMO C[C@H]1CC(=[NH+]n2cccn2)CCO1 863165025 583305342 /nfs/dbraw/zinc/30/53/42/583305342.db2.gz ZBCCVSKHQCGQCP-QMMMGPOBSA-N 1 1 179.223 1.286 10 30 ADEEMO C#CC1CCC(=[NH+]n2cccn2)CC1 863162646 583305508 /nfs/dbraw/zinc/30/55/08/583305508.db2.gz SWOSXZPMQBNAAM-UHFFFAOYSA-N 1 1 187.246 1.911 10 30 ADEEMO C#CCCCC(C)=[NH+]n1cccn1 863162724 583305542 /nfs/dbraw/zinc/30/55/42/583305542.db2.gz WYEYGPXJLORINR-UHFFFAOYSA-N 1 1 175.235 1.911 10 30 ADEEMO COCCC(C)=[NH+]n1cccn1 863163558 583305605 /nfs/dbraw/zinc/30/56/05/583305605.db2.gz IULPTWSUMMFKIT-UHFFFAOYSA-N 1 1 167.212 1.144 10 30 ADEEMO C[C@H]1CC(=[NH+]n2cccn2)C[C@@H](C)O1 863163645 583305610 /nfs/dbraw/zinc/30/56/10/583305610.db2.gz LDQFRPGCKPFLGZ-DTORHVGOSA-N 1 1 193.250 1.675 10 30 ADEEMO N#C[C@@H]1CCCC(=[NH+]n2cccn2)C1 863163684 583305613 /nfs/dbraw/zinc/30/56/13/583305613.db2.gz MDTGWXPRCCIOLD-SECBINFHSA-N 1 1 188.234 1.801 10 30 ADEEMO CC[C@@H]1CCC1=[NH+]n1cccn1 863163607 583305652 /nfs/dbraw/zinc/30/56/52/583305652.db2.gz KKXSMAWTCSQQKV-MRVPVSSYSA-N 1 1 163.224 1.907 10 30 ADEEMO N#C[C@H]1CCCC(=[NH+]n2cccn2)C1 863163685 583305705 /nfs/dbraw/zinc/30/57/05/583305705.db2.gz MDTGWXPRCCIOLD-VIFPVBQESA-N 1 1 188.234 1.801 10 30 ADEEMO C[C@H]1CCC(=[NH+]n2cccn2)C1 863163659 583305709 /nfs/dbraw/zinc/30/57/09/583305709.db2.gz LMJZZBQRUQTYSF-QMMMGPOBSA-N 1 1 163.224 1.907 10 30 ADEEMO CC1(O)CCC(=[NH+]n2cccn2)CC1 863162329 583305722 /nfs/dbraw/zinc/30/57/22/583305722.db2.gz DNWSXKUESQWPRP-UHFFFAOYSA-N 1 1 193.250 1.412 10 30 ADEEMO CO[C@H]1CCCC(=[NH+]n2cccn2)C1 863163682 583305776 /nfs/dbraw/zinc/30/57/76/583305776.db2.gz MCPRHNXBZWPNIX-JTQLQIEISA-N 1 1 193.250 1.676 10 30 ADEEMO C[C@@H]1CCC(=[NH+]n2cccn2)C1 863163658 583305828 /nfs/dbraw/zinc/30/58/28/583305828.db2.gz LMJZZBQRUQTYSF-MRVPVSSYSA-N 1 1 163.224 1.907 10 30 ADEEMO FC(F)C1CC(=[NH+]n2cccn2)C1 863164186 583306015 /nfs/dbraw/zinc/30/60/15/583306015.db2.gz DKAXMTVNXVPVBM-UHFFFAOYSA-N 1 1 185.177 1.762 10 30 ADEEMO CC[C@@H]1CC(=[NH+]n2cccn2)CCO1 863164524 583306036 /nfs/dbraw/zinc/30/60/36/583306036.db2.gz LXSHQFVGBBDTIG-SNVBAGLBSA-N 1 1 193.250 1.676 10 30 ADEEMO c1cnn([NH+]=C2CCCC2)c1 863166282 583306054 /nfs/dbraw/zinc/30/60/54/583306054.db2.gz WNNADSSYJZWKAM-UHFFFAOYSA-N 1 1 149.197 1.661 10 30 ADEEMO CC(=[NH+]n1cccn1)[C@@H]1CCOC1 863164327 583306163 /nfs/dbraw/zinc/30/61/63/583306163.db2.gz GOPLFLUFVYEMJT-SECBINFHSA-N 1 1 179.223 1.144 10 30 ADEEMO CC(=[NH+]n1cccn1)C1CCOCC1 863164127 583306205 /nfs/dbraw/zinc/30/62/05/583306205.db2.gz BIRGNJJVXZDJIM-UHFFFAOYSA-N 1 1 193.250 1.534 10 30 ADEEMO OC1CCC(=[NH+]n2cccn2)CC1 863164162 583306214 /nfs/dbraw/zinc/30/62/14/583306214.db2.gz CUYXGUQKISBXHR-UHFFFAOYSA-N 1 1 179.223 1.022 10 30 ADEEMO CC(=[NH+]n1cccn1)[C@H]1CCOC1 863164328 583306228 /nfs/dbraw/zinc/30/62/28/583306228.db2.gz GOPLFLUFVYEMJT-VIFPVBQESA-N 1 1 179.223 1.144 10 30 ADEEMO C[C@H]1CCCC1=[NH+]n1cccn1 863165459 583306244 /nfs/dbraw/zinc/30/62/44/583306244.db2.gz AMBYAJLMTBGUHG-QMMMGPOBSA-N 1 1 163.224 1.907 10 30 ADEEMO C[C@@H]1CC(=Nn2cccn2)CC[N@H+]1C 863164360 583306298 /nfs/dbraw/zinc/30/62/98/583306298.db2.gz HSJOIBZXIZFYEO-SECBINFHSA-N 1 1 192.266 1.201 10 30 ADEEMO CCC(=[NH+]n1cccn1)[C@@H]1CCOC1 863166356 583306395 /nfs/dbraw/zinc/30/63/95/583306395.db2.gz YECULWIOSYVFQH-SECBINFHSA-N 1 1 193.250 1.534 10 30 ADEEMO CCC(CC)=[NH+]n1cccn1 863165783 583306419 /nfs/dbraw/zinc/30/64/19/583306419.db2.gz NXHSEWROUOBSLY-UHFFFAOYSA-N 1 1 151.213 1.907 10 30 ADEEMO C(=[NH+]n1cccn1)C1CCOCC1 863164659 583306489 /nfs/dbraw/zinc/30/64/89/583306489.db2.gz RLUHRALYFKCJRV-UHFFFAOYSA-N 1 1 179.223 1.144 10 30 ADEEMO C[C@H]1CC(=Nn2cccn2)CC[N@H+]1C 863164361 583306589 /nfs/dbraw/zinc/30/65/89/583306589.db2.gz HSJOIBZXIZFYEO-VIFPVBQESA-N 1 1 192.266 1.201 10 30 ADEEMO C[N@H+]1CCCC(=Nn2cccn2)CC1 863164634 583306602 /nfs/dbraw/zinc/30/66/02/583306602.db2.gz QHSXOLANULFKEE-UHFFFAOYSA-N 1 1 192.266 1.203 10 30 ADEEMO C[C@@H]1CCCC1=[NH+]n1cccn1 863165458 583306630 /nfs/dbraw/zinc/30/66/30/583306630.db2.gz AMBYAJLMTBGUHG-MRVPVSSYSA-N 1 1 163.224 1.907 10 30 ADEEMO CC(C[C@H]1CCOC1)=[NH+]n1cccn1 863164415 583306634 /nfs/dbraw/zinc/30/66/34/583306634.db2.gz JHDMHEUSEPLJRN-SNVBAGLBSA-N 1 1 193.250 1.534 10 30 ADEEMO CC(C[C@@H]1CCOC1)=[NH+]n1cccn1 863164414 583306649 /nfs/dbraw/zinc/30/66/49/583306649.db2.gz JHDMHEUSEPLJRN-JTQLQIEISA-N 1 1 193.250 1.534 10 30 ADEEMO COCCCC(C)=[NH+]n1cccn1 863164810 583306661 /nfs/dbraw/zinc/30/66/61/583306661.db2.gz VUJVXJJBJUDESN-UHFFFAOYSA-N 1 1 181.239 1.534 10 30 ADEEMO COCCC(=[NH+]n1cccn1)C(C)C 863164449 583306695 /nfs/dbraw/zinc/30/66/95/583306695.db2.gz KLMMTZCWMUHAHS-UHFFFAOYSA-N 1 1 195.266 1.780 10 30 ADEEMO COC1CCC(=[NH+]n2cccn2)CC1 863164965 583306713 /nfs/dbraw/zinc/30/67/13/583306713.db2.gz XXQHNSIGOJWVOB-UHFFFAOYSA-N 1 1 193.250 1.676 10 30 ADEEMO c1cnn([NH+]=C2CCCOCC2)c1 863164522 583306717 /nfs/dbraw/zinc/30/67/17/583306717.db2.gz LSFIATBKVYRPIT-UHFFFAOYSA-N 1 1 179.223 1.288 10 30 ADEEMO CC[C@H]1CC(=[NH+]n2cccn2)CCO1 863164523 583306733 /nfs/dbraw/zinc/30/67/33/583306733.db2.gz LXSHQFVGBBDTIG-JTQLQIEISA-N 1 1 193.250 1.676 10 30 ADEEMO CC(=[NH+]n1cccn1)[C@@H]1CCCOC1 863164164 583306763 /nfs/dbraw/zinc/30/67/63/583306763.db2.gz CWPOCWFIMDDBTA-SNVBAGLBSA-N 1 1 193.250 1.534 10 30 ADEEMO CCC(=[NH+]n1cccn1)C1CC1 863165472 583306806 /nfs/dbraw/zinc/30/68/06/583306806.db2.gz AWRBYVLCZLPJAM-UHFFFAOYSA-N 1 1 163.224 1.907 10 30 ADEEMO C[C@@H]1COCCC1=[NH+]n1cccn1 863163952 583306825 /nfs/dbraw/zinc/30/68/25/583306825.db2.gz UXAGIYOKLSYZOK-MRVPVSSYSA-N 1 1 179.223 1.144 10 30 ADEEMO C[C@@H]1CC(=[NH+]n2cccn2)CCO1 863165024 583306864 /nfs/dbraw/zinc/30/68/64/583306864.db2.gz ZBCCVSKHQCGQCP-MRVPVSSYSA-N 1 1 179.223 1.286 10 30 ADEEMO C[C@H]1COCCC1=[NH+]n1cccn1 863163953 583306882 /nfs/dbraw/zinc/30/68/82/583306882.db2.gz UXAGIYOKLSYZOK-QMMMGPOBSA-N 1 1 179.223 1.144 10 30 ADEEMO CCC(=[NH+]n1cccn1)[C@H]1CCOC1 863166358 583306947 /nfs/dbraw/zinc/30/69/47/583306947.db2.gz YECULWIOSYVFQH-VIFPVBQESA-N 1 1 193.250 1.534 10 30 ADEEMO CC(CC1CC1)=[NH+]n1cccn1 863164141 583306956 /nfs/dbraw/zinc/30/69/56/583306956.db2.gz CAPALGULOGNAAV-UHFFFAOYSA-N 1 1 163.224 1.907 10 30 ADEEMO C[C@@H]1C[C@@H]1C=[NH+]n1cccn1 863164625 583306962 /nfs/dbraw/zinc/30/69/62/583306962.db2.gz PZUSIGODKSFHRW-HTQZYQBOSA-N 1 1 149.197 1.373 10 30 ADEEMO C#CCOCCn1cc(C)[nH+]c1C 865360822 583324907 /nfs/dbraw/zinc/32/49/07/583324907.db2.gz DTDUMGKSBFSCCR-UHFFFAOYSA-N 1 1 178.235 1.150 10 30 ADEEMO C#CCOCCn1cc(C)[nH+]c1CC 865394415 583325392 /nfs/dbraw/zinc/32/53/92/583325392.db2.gz GLKXNGUMVOINRO-UHFFFAOYSA-N 1 1 192.262 1.404 10 30 ADEEMO C#CC[N@H+]1CCS[C@@H](C)C1 122520401 583341085 /nfs/dbraw/zinc/34/10/85/583341085.db2.gz BQJPFJYGDRJGON-QMMMGPOBSA-N 1 1 155.266 1.057 10 30 ADEEMO C=CCC[C@@H]([NH3+])C(=O)OC(C)(C)C 123669626 583351527 /nfs/dbraw/zinc/35/15/27/583351527.db2.gz KHHHFYCGHZETQY-MRVPVSSYSA-N 1 1 185.267 1.622 10 30 ADEEMO C#CCC[N@@H+]1C[C@H](C)N(C)[C@H](C)C1 123570676 583351635 /nfs/dbraw/zinc/35/16/35/583351635.db2.gz GDRUAHRXOFDYOD-PHIMTYICSA-N 1 1 180.295 1.034 10 30 ADEEMO C#CCCN1C[C@H](C)[N@H+](C)[C@H](C)C1 123570676 583351643 /nfs/dbraw/zinc/35/16/43/583351643.db2.gz GDRUAHRXOFDYOD-PHIMTYICSA-N 1 1 180.295 1.034 10 30 ADEEMO C#CCCC[N@@H+]1C[C@H](C)N(C)[C@H](C)C1 123588019 583352394 /nfs/dbraw/zinc/35/23/94/583352394.db2.gz HARJGYQHTMIMPJ-TXEJJXNPSA-N 1 1 194.322 1.424 10 30 ADEEMO C=C(Cl)C[C@H]([NH3+])c1nc(C)no1 871780026 583355881 /nfs/dbraw/zinc/35/58/81/583355881.db2.gz VHSPNKKBTCQYAK-LURJTMIESA-N 1 1 187.630 1.520 10 30 ADEEMO C=C(Cl)C[C@@H]([NH3+])c1nc(C)no1 871780027 583356312 /nfs/dbraw/zinc/35/63/12/583356312.db2.gz VHSPNKKBTCQYAK-ZCFIWIBFSA-N 1 1 187.630 1.520 10 30 ADEEMO N#CCC[NH2+][C@H]1CCCC[C@H]1F 872218898 583360902 /nfs/dbraw/zinc/36/09/02/583360902.db2.gz OWKVLPJENGSOSH-BDAKNGLRSA-N 1 1 170.231 1.770 10 30 ADEEMO C=C(C)CN=NC1CC[N@@H+](C)[C@H]1C 872373636 583364362 /nfs/dbraw/zinc/36/43/62/583364362.db2.gz IBGZSVGUYBFVBL-VIFPVBQESA-N 1 1 181.283 1.232 10 30 ADEEMO C=C(C)CNN=C1CC[N@@H+](C)[C@@H]1C 872373635 583364606 /nfs/dbraw/zinc/36/46/06/583364606.db2.gz IBGZSVGUYBFVBL-SECBINFHSA-N 1 1 181.283 1.232 10 30 ADEEMO C=C(C)CNN=C1CC[N@H+](C)[C@@H]1C 872373635 583364608 /nfs/dbraw/zinc/36/46/08/583364608.db2.gz IBGZSVGUYBFVBL-SECBINFHSA-N 1 1 181.283 1.232 10 30 ADEEMO C=CCON=C1CC[N@H+](C)[C@H]1C 872379966 583365244 /nfs/dbraw/zinc/36/52/44/583365244.db2.gz SEMGKHGXOYOKMO-QMMMGPOBSA-N 1 1 168.240 1.269 10 30 ADEEMO C=C[C@H](C)ON=C1CC[N@@H+](C)[C@H]1C 872388098 583365314 /nfs/dbraw/zinc/36/53/14/583365314.db2.gz ZSMFZMMGJBTUHD-IUCAKERBSA-N 1 1 182.267 1.658 10 30 ADEEMO C=C[C@@H](C)ON=C1CC[N@@H+](C)[C@@H]1C 872388099 583365437 /nfs/dbraw/zinc/36/54/37/583365437.db2.gz ZSMFZMMGJBTUHD-RKDXNWHRSA-N 1 1 182.267 1.658 10 30 ADEEMO C=CCON=C1CC[N@H+](C)[C@@H]1C 872379965 583365497 /nfs/dbraw/zinc/36/54/97/583365497.db2.gz SEMGKHGXOYOKMO-MRVPVSSYSA-N 1 1 168.240 1.269 10 30 ADEEMO C=C(C)CON=C1CC[N@H+](C)[C@H]1C 872386182 583366429 /nfs/dbraw/zinc/36/64/29/583366429.db2.gz CYMDPMYXUYRILB-VIFPVBQESA-N 1 1 182.267 1.659 10 30 ADEEMO C=C[C@@H](C)ON=C1CC[N@@H+](C)[C@H]1C 872388095 583366721 /nfs/dbraw/zinc/36/67/21/583366721.db2.gz ZSMFZMMGJBTUHD-BDAKNGLRSA-N 1 1 182.267 1.658 10 30 ADEEMO c1cnn([NH+]=C2CC[C@H]3C[C@@H]23)c1 872392947 583366774 /nfs/dbraw/zinc/36/67/74/583366774.db2.gz FDECVXOMKUAXTC-JGVFFNPUSA-N 1 1 161.208 1.517 10 30 ADEEMO C=C[C@H](C)ON=C1CC[N@@H+](C)[C@@H]1C 872388097 583366874 /nfs/dbraw/zinc/36/68/74/583366874.db2.gz ZSMFZMMGJBTUHD-DTWKUNHWSA-N 1 1 182.267 1.658 10 30 ADEEMO C=C(C)CON=C1CC[N@H+](C)[C@@H]1C 872386181 583366978 /nfs/dbraw/zinc/36/69/78/583366978.db2.gz CYMDPMYXUYRILB-SECBINFHSA-N 1 1 182.267 1.659 10 30 ADEEMO C#CC[N@@H+]1CCS[C@H](C)[C@@H]1C 124406394 583371374 /nfs/dbraw/zinc/37/13/74/583371374.db2.gz AGSUERUKHBTWFE-DTWKUNHWSA-N 1 1 169.293 1.445 10 30 ADEEMO C#CC[N@@H+]1CCS[C@H](C)[C@H]1C 124406172 583371321 /nfs/dbraw/zinc/37/13/21/583371321.db2.gz AGSUERUKHBTWFE-RKDXNWHRSA-N 1 1 169.293 1.445 10 30 ADEEMO C#CC[N@@H+]1CCS[C@@H](C)[C@@H]1C 124405961 583371360 /nfs/dbraw/zinc/37/13/60/583371360.db2.gz AGSUERUKHBTWFE-IUCAKERBSA-N 1 1 169.293 1.445 10 30 ADEEMO C#CC[N@@H+]1CCS[C@@H](C)[C@H]1C 124405694 583371423 /nfs/dbraw/zinc/37/14/23/583371423.db2.gz AGSUERUKHBTWFE-BDAKNGLRSA-N 1 1 169.293 1.445 10 30 ADEEMO C=C(Cl)C[N@@H+](C)[C@@H](C)CO 124676366 583377120 /nfs/dbraw/zinc/37/71/20/583377120.db2.gz YXFSLWUQXCHQMQ-ZETCQYMHSA-N 1 1 163.648 1.052 10 30 ADEEMO C=C(Cl)C[N@H+](C)[C@@H](C)CO 124676366 583377123 /nfs/dbraw/zinc/37/71/23/583377123.db2.gz YXFSLWUQXCHQMQ-ZETCQYMHSA-N 1 1 163.648 1.052 10 30 ADEEMO C#CC[N@H+](C)[C@@H](C)CCSC 124818702 583379021 /nfs/dbraw/zinc/37/90/21/583379021.db2.gz HAKKKLMXFOHFQC-VIFPVBQESA-N 1 1 171.309 1.693 10 30 ADEEMO C#CC[N@H+](C)[C@H](C)CCSC 124818966 583379844 /nfs/dbraw/zinc/37/98/44/583379844.db2.gz HAKKKLMXFOHFQC-SECBINFHSA-N 1 1 171.309 1.693 10 30 ADEEMO C#CCC[N@H+]1CCCC[C@H]1C(=O)OC 125350538 583384045 /nfs/dbraw/zinc/38/40/45/583384045.db2.gz VQEBRTPUMVHOMJ-JTQLQIEISA-N 1 1 195.262 1.037 10 30 ADEEMO C#CCC[N@@H+]1CCCC[C@H]1C(=O)OC 125350538 583384048 /nfs/dbraw/zinc/38/40/48/583384048.db2.gz VQEBRTPUMVHOMJ-JTQLQIEISA-N 1 1 195.262 1.037 10 30 ADEEMO C#CCCCCCC[N@@H+]1CC[C@H](O)C1 876589250 583387943 /nfs/dbraw/zinc/38/79/43/583387943.db2.gz IJMCCBUWGPVPTA-LBPRGKRZSA-N 1 1 195.306 1.637 10 30 ADEEMO C#CC[N@@H+](CC)Cc1cc(C)ns1 876638651 583388122 /nfs/dbraw/zinc/38/81/22/583388122.db2.gz DQXIHUOSJSWACP-UHFFFAOYSA-N 1 1 194.303 1.907 10 30 ADEEMO C#CC[N@H+](CC)Cc1cc(C)ns1 876638651 583388123 /nfs/dbraw/zinc/38/81/23/583388123.db2.gz DQXIHUOSJSWACP-UHFFFAOYSA-N 1 1 194.303 1.907 10 30 ADEEMO CO[C@@H]1CC[N@@H+](C[C@@H](C)CCC#N)C1 876748985 583388572 /nfs/dbraw/zinc/38/85/72/583388572.db2.gz GBULNHRPDVJEBQ-WDEREUQCSA-N 1 1 196.294 1.647 10 30 ADEEMO CO[C@@H]1CC[N@@H+](C[C@H](C)CCC#N)C1 876748984 583388804 /nfs/dbraw/zinc/38/88/04/583388804.db2.gz GBULNHRPDVJEBQ-GHMZBOCLSA-N 1 1 196.294 1.647 10 30 ADEEMO CC#CC[NH2+]Cc1cc(C2CC2)no1 877128741 583392672 /nfs/dbraw/zinc/39/26/72/583392672.db2.gz DZEMUBXVDBRADP-UHFFFAOYSA-N 1 1 190.246 1.665 10 30 ADEEMO C#C[C@H](C)[N@H+](C)Cc1cc(C)ns1 877480398 583394160 /nfs/dbraw/zinc/39/41/60/583394160.db2.gz UORQDXIXHUKVDX-VIFPVBQESA-N 1 1 194.303 1.905 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)Cc1cc(C)ns1 877480398 583394162 /nfs/dbraw/zinc/39/41/62/583394162.db2.gz UORQDXIXHUKVDX-VIFPVBQESA-N 1 1 194.303 1.905 10 30 ADEEMO C#C[C@@H](C)[N@H+](C)Cc1cc(C)ns1 877480397 583394255 /nfs/dbraw/zinc/39/42/55/583394255.db2.gz UORQDXIXHUKVDX-SECBINFHSA-N 1 1 194.303 1.905 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)Cc1cc(C)ns1 877480397 583394260 /nfs/dbraw/zinc/39/42/60/583394260.db2.gz UORQDXIXHUKVDX-SECBINFHSA-N 1 1 194.303 1.905 10 30 ADEEMO C#CCCCCCC[N@@H+](C)CCCO 877499650 583394343 /nfs/dbraw/zinc/39/43/43/583394343.db2.gz RTDWIQMIRHGIKO-UHFFFAOYSA-N 1 1 197.322 1.884 10 30 ADEEMO C#C[C@@H](C)[NH2+]Cc1cc(C2CC2)no1 877513897 583394469 /nfs/dbraw/zinc/39/44/69/583394469.db2.gz FZUDZUNUVATNTN-MRVPVSSYSA-N 1 1 190.246 1.663 10 30 ADEEMO C#C[C@H](C)[NH2+]Cc1cc(C2CC2)no1 877513898 583394542 /nfs/dbraw/zinc/39/45/42/583394542.db2.gz FZUDZUNUVATNTN-QMMMGPOBSA-N 1 1 190.246 1.663 10 30 ADEEMO C#CCCCCCC[N@H+](C)[C@H](C)CO 877527566 583395364 /nfs/dbraw/zinc/39/53/64/583395364.db2.gz SOZGQPXXERZKTD-GFCCVEGCSA-N 1 1 197.322 1.883 10 30 ADEEMO C#CCCCCCC[N@H+](C)[C@@H](C)CO 877527567 583395550 /nfs/dbraw/zinc/39/55/50/583395550.db2.gz SOZGQPXXERZKTD-LBPRGKRZSA-N 1 1 197.322 1.883 10 30 ADEEMO C#CC[C@H]1CC[N@H+](C[C@@H](C)OC)C1 877649553 583396125 /nfs/dbraw/zinc/39/61/25/583396125.db2.gz AOSNQXWCGRKPAJ-MNOVXSKESA-N 1 1 181.279 1.367 10 30 ADEEMO C#CC[C@@H]1CC[N@H+](C[C@H](C)OC)C1 877649555 583396467 /nfs/dbraw/zinc/39/64/67/583396467.db2.gz AOSNQXWCGRKPAJ-WDEREUQCSA-N 1 1 181.279 1.367 10 30 ADEEMO C#CC[C@H]1CC[N@H+](C[C@H](C)OC)C1 877649554 583396514 /nfs/dbraw/zinc/39/65/14/583396514.db2.gz AOSNQXWCGRKPAJ-QWRGUYRKSA-N 1 1 181.279 1.367 10 30 ADEEMO C#CC[C@@H]1CC[N@H+](C[C@@H](C)OC)C1 877649552 583396541 /nfs/dbraw/zinc/39/65/41/583396541.db2.gz AOSNQXWCGRKPAJ-GHMZBOCLSA-N 1 1 181.279 1.367 10 30 ADEEMO C#CC[C@H]1CC[N@@H+](Cc2ccon2)C1 877649550 583396642 /nfs/dbraw/zinc/39/66/42/583396642.db2.gz ALCDHILBCCVVJN-JTQLQIEISA-N 1 1 190.246 1.520 10 30 ADEEMO C#CC[C@@H]1CC[N@@H+](Cc2ccon2)C1 877649551 583396669 /nfs/dbraw/zinc/39/66/69/583396669.db2.gz ALCDHILBCCVVJN-SNVBAGLBSA-N 1 1 190.246 1.520 10 30 ADEEMO C=CC[C@H](C(=O)OC)[N@H+](C)CCCC 877900468 583398686 /nfs/dbraw/zinc/39/86/86/583398686.db2.gz KUCWFISGTOWAQJ-SNVBAGLBSA-N 1 1 199.294 1.836 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CCO[C@@H](C)C1 877896091 583398812 /nfs/dbraw/zinc/39/88/12/583398812.db2.gz QPVAXJYLHGIKNE-UWVGGRQHSA-N 1 1 169.268 1.672 10 30 ADEEMO C=CC[C@@H](C(=O)OC)[N@H+](C)CCCC 877900467 583398907 /nfs/dbraw/zinc/39/89/07/583398907.db2.gz KUCWFISGTOWAQJ-JTQLQIEISA-N 1 1 199.294 1.836 10 30 ADEEMO C=CC[C@H](C)[N@@H+](C)Cc1cnn(C)c1 877904717 583399112 /nfs/dbraw/zinc/39/91/12/583399112.db2.gz WWSGALQDHYPLJO-JTQLQIEISA-N 1 1 193.294 1.817 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CCO[C@@H](C)C1 877896093 583399124 /nfs/dbraw/zinc/39/91/24/583399124.db2.gz QPVAXJYLHGIKNE-ZJUUUORDSA-N 1 1 169.268 1.672 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CCO[C@H](C)C1 877896090 583399244 /nfs/dbraw/zinc/39/92/44/583399244.db2.gz QPVAXJYLHGIKNE-NXEZZACHSA-N 1 1 169.268 1.672 10 30 ADEEMO C=CC[C@@H](C)[N@@H+](C)Cc1cnn(C)c1 877904718 583399264 /nfs/dbraw/zinc/39/92/64/583399264.db2.gz WWSGALQDHYPLJO-SNVBAGLBSA-N 1 1 193.294 1.817 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CCO[C@H](C)C1 877896092 583399279 /nfs/dbraw/zinc/39/92/79/583399279.db2.gz QPVAXJYLHGIKNE-VHSXEESVSA-N 1 1 169.268 1.672 10 30 ADEEMO C=CC[C@@H](C)N1CC[NH+](C(C)C)CC1 877930007 583400012 /nfs/dbraw/zinc/40/00/12/583400012.db2.gz UAELHTBPWLWFHN-GFCCVEGCSA-N 1 1 196.338 1.977 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CCCN(C)CC1 877936210 583399674 /nfs/dbraw/zinc/39/96/74/583399674.db2.gz WHGWSPKBZZJSRM-NSHDSACASA-N 1 1 182.311 1.589 10 30 ADEEMO C=CC[C@H](C)[N@H+](CC)CC(=O)NCC 877921026 583399911 /nfs/dbraw/zinc/39/99/11/583399911.db2.gz ZMVZDISLOGEEFM-JTQLQIEISA-N 1 1 198.310 1.409 10 30 ADEEMO C=CC[C@@H](C)[N@H+](CC)CC(=O)NCC 877921028 583400363 /nfs/dbraw/zinc/40/03/63/583400363.db2.gz ZMVZDISLOGEEFM-SNVBAGLBSA-N 1 1 198.310 1.409 10 30 ADEEMO C=CC[C@H](C)N1CC[NH+](C(C)C)CC1 877930008 583400163 /nfs/dbraw/zinc/40/01/63/583400163.db2.gz UAELHTBPWLWFHN-LBPRGKRZSA-N 1 1 196.338 1.977 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CCCN(C)CC1 877936209 583400334 /nfs/dbraw/zinc/40/03/34/583400334.db2.gz WHGWSPKBZZJSRM-LLVKDONJSA-N 1 1 182.311 1.589 10 30 ADEEMO C=CC[C@H](C)[N@H+](C)CC(=O)NC(C)C 877940657 583400550 /nfs/dbraw/zinc/40/05/50/583400550.db2.gz GKTPICGKRDNFSE-JTQLQIEISA-N 1 1 198.310 1.407 10 30 ADEEMO C=CC[C@@H](C)[N@H+](C)CC(=O)NC(C)C 877940658 583400572 /nfs/dbraw/zinc/40/05/72/583400572.db2.gz GKTPICGKRDNFSE-SNVBAGLBSA-N 1 1 198.310 1.407 10 30 ADEEMO C=CC[C@@H](C)[N@@H+](CC)CC(=O)N(C)C 877959551 583400692 /nfs/dbraw/zinc/40/06/92/583400692.db2.gz ZIHXUPVKQABPRG-SNVBAGLBSA-N 1 1 198.310 1.361 10 30 ADEEMO C=CC[C@H](C)[N@@H+](C)CC(=O)NC1CC1 877940565 583400862 /nfs/dbraw/zinc/40/08/62/583400862.db2.gz UZBIXKDKBHGRQK-VIFPVBQESA-N 1 1 196.294 1.161 10 30 ADEEMO C=CC[C@H](C)[NH+]1CCC(N(C)C)CC1 877959736 583400881 /nfs/dbraw/zinc/40/08/81/583400881.db2.gz SFKJMBSELKHAHQ-NSHDSACASA-N 1 1 196.338 1.977 10 30 ADEEMO C=CC[C@@H](C)[N@@H+](C)CC(=O)NC1CC1 877940564 583401004 /nfs/dbraw/zinc/40/10/04/583401004.db2.gz UZBIXKDKBHGRQK-SECBINFHSA-N 1 1 196.294 1.161 10 30 ADEEMO C=CC[C@H](C)[N@@H+](CC)CC(=O)N(C)C 877959550 583401078 /nfs/dbraw/zinc/40/10/78/583401078.db2.gz ZIHXUPVKQABPRG-JTQLQIEISA-N 1 1 198.310 1.361 10 30 ADEEMO C=CC[C@@H](C)[NH+]1CCC(N(C)C)CC1 877959735 583401316 /nfs/dbraw/zinc/40/13/16/583401316.db2.gz SFKJMBSELKHAHQ-LLVKDONJSA-N 1 1 196.338 1.977 10 30 ADEEMO C=CC[C@@H](C)[N@H+](C)CCOC 877986503 583401602 /nfs/dbraw/zinc/40/16/02/583401602.db2.gz MVIWCOMOFTWESR-SECBINFHSA-N 1 1 157.257 1.529 10 30 ADEEMO C=CC[C@@H](C)[N@H+](C)CC(=O)NCC 877974171 583401670 /nfs/dbraw/zinc/40/16/70/583401670.db2.gz PFBPRHZBVVDNPN-SECBINFHSA-N 1 1 184.283 1.019 10 30 ADEEMO C=CC[N@H+](CCN(C#N)CC)C(C)C 877977538 583401706 /nfs/dbraw/zinc/40/17/06/583401706.db2.gz ZUUBUVBJXPPHRO-UHFFFAOYSA-N 1 1 195.310 1.686 10 30 ADEEMO C=CC[C@@H](C(=O)OC)[N@@H+](C)CC1CC1 877973031 583401868 /nfs/dbraw/zinc/40/18/68/583401868.db2.gz TWDSGEJXZZHCRF-JTQLQIEISA-N 1 1 197.278 1.446 10 30 ADEEMO C=CC[C@@H](C)[N@@H+](CC)CC(=O)NC 877987066 583401943 /nfs/dbraw/zinc/40/19/43/583401943.db2.gz ZCMCCJFTEVIEOI-SECBINFHSA-N 1 1 184.283 1.019 10 30 ADEEMO C=CC[C@H](C)[N@H+](C)CC(=O)NCC 877974172 583402022 /nfs/dbraw/zinc/40/20/22/583402022.db2.gz PFBPRHZBVVDNPN-VIFPVBQESA-N 1 1 184.283 1.019 10 30 ADEEMO C=CC[C@H](C(=O)OC)[N@@H+](C)CC1CC1 877973032 583402100 /nfs/dbraw/zinc/40/21/00/583402100.db2.gz TWDSGEJXZZHCRF-SNVBAGLBSA-N 1 1 197.278 1.446 10 30 ADEEMO C=CC[C@H](C)[N@H+](C)CCOC 877986505 583402221 /nfs/dbraw/zinc/40/22/21/583402221.db2.gz MVIWCOMOFTWESR-VIFPVBQESA-N 1 1 157.257 1.529 10 30 ADEEMO C=CC[C@H](C)[N@@H+](CC)CC(=O)NC 877987067 583402246 /nfs/dbraw/zinc/40/22/46/583402246.db2.gz ZCMCCJFTEVIEOI-VIFPVBQESA-N 1 1 184.283 1.019 10 30 ADEEMO C=CC[C@H](C)[N@H+](C)CCCOC 877997907 583402431 /nfs/dbraw/zinc/40/24/31/583402431.db2.gz CZDLDUQJCQDXGB-JTQLQIEISA-N 1 1 171.284 1.919 10 30 ADEEMO C=CC[C@H](C(=O)OC)[N@H+](CC)CCC 878001783 583402756 /nfs/dbraw/zinc/40/27/56/583402756.db2.gz BROKKBWUBUZMLI-SNVBAGLBSA-N 1 1 199.294 1.836 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CCCOCC1 878015133 583402828 /nfs/dbraw/zinc/40/28/28/583402828.db2.gz XAINYYNEQKUFRB-JTQLQIEISA-N 1 1 169.268 1.673 10 30 ADEEMO C=CC[C@@H](C)[N@H+](C)CCCOC 877997908 583403026 /nfs/dbraw/zinc/40/30/26/583403026.db2.gz CZDLDUQJCQDXGB-SNVBAGLBSA-N 1 1 171.284 1.919 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CCCN(CC)CC1 878036974 583403070 /nfs/dbraw/zinc/40/30/70/583403070.db2.gz UHCISOPDAJDLCB-LBPRGKRZSA-N 1 1 196.338 1.979 10 30 ADEEMO C=CC[C@@H](C(=O)OC)[N@H+](CC)CCC 878001782 583403134 /nfs/dbraw/zinc/40/31/34/583403134.db2.gz BROKKBWUBUZMLI-JTQLQIEISA-N 1 1 199.294 1.836 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CCCN(CC)CC1 878036972 583403243 /nfs/dbraw/zinc/40/32/43/583403243.db2.gz UHCISOPDAJDLCB-GFCCVEGCSA-N 1 1 196.338 1.979 10 30 ADEEMO C=CC[C@H](C(=O)OC)[N@H+](C)CCC 878013364 583403247 /nfs/dbraw/zinc/40/32/47/583403247.db2.gz FDGVTWOTRLGYGW-SECBINFHSA-N 1 1 185.267 1.446 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CCCOCC1 878015134 583403265 /nfs/dbraw/zinc/40/32/65/583403265.db2.gz XAINYYNEQKUFRB-SNVBAGLBSA-N 1 1 169.268 1.673 10 30 ADEEMO C=CC[C@H](C(=O)OC)[N@@H+](C)CC(C)C 878000656 583403276 /nfs/dbraw/zinc/40/32/76/583403276.db2.gz DVOPFFYGLJZQPC-SNVBAGLBSA-N 1 1 199.294 1.692 10 30 ADEEMO C=CC[C@@H](C(=O)OC)[N@@H+](C)CC(C)C 878000655 583403282 /nfs/dbraw/zinc/40/32/82/583403282.db2.gz DVOPFFYGLJZQPC-JTQLQIEISA-N 1 1 199.294 1.692 10 30 ADEEMO C=CC[C@@H](C(=O)OC)[N@H+](C)CCC 878013365 583403378 /nfs/dbraw/zinc/40/33/78/583403378.db2.gz FDGVTWOTRLGYGW-VIFPVBQESA-N 1 1 185.267 1.446 10 30 ADEEMO C=CC[C@H](C)[N@@H+]1CCn2cnnc2C1 878070022 583403755 /nfs/dbraw/zinc/40/37/55/583403755.db2.gz SPYDLZIXBXNDFE-VIFPVBQESA-N 1 1 192.266 1.058 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CCn2cnnc2C1 878070022 583403756 /nfs/dbraw/zinc/40/37/56/583403756.db2.gz SPYDLZIXBXNDFE-VIFPVBQESA-N 1 1 192.266 1.058 10 30 ADEEMO C=CC[C@@H](C)[N@@H+]1CCn2cnnc2C1 878070021 583403826 /nfs/dbraw/zinc/40/38/26/583403826.db2.gz SPYDLZIXBXNDFE-SECBINFHSA-N 1 1 192.266 1.058 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CCn2cnnc2C1 878070021 583403828 /nfs/dbraw/zinc/40/38/28/583403828.db2.gz SPYDLZIXBXNDFE-SECBINFHSA-N 1 1 192.266 1.058 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CCC[C@H](N(C)C)C1 878040773 583403862 /nfs/dbraw/zinc/40/38/62/583403862.db2.gz OATYDUGSVNKECX-NEPJUHHUSA-N 1 1 196.338 1.977 10 30 ADEEMO C=CC[C@H](C)[N@H+](C)CCC(=O)NC 878045822 583404019 /nfs/dbraw/zinc/40/40/19/583404019.db2.gz NCFHRDHFMVKIKQ-VIFPVBQESA-N 1 1 184.283 1.019 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CCC[C@@H](N(C)C)C1 878040774 583404307 /nfs/dbraw/zinc/40/43/07/583404307.db2.gz OATYDUGSVNKECX-NWDGAFQWSA-N 1 1 196.338 1.977 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CCC[C@@H](N(C)C)C1 878040776 583404418 /nfs/dbraw/zinc/40/44/18/583404418.db2.gz OATYDUGSVNKECX-VXGBXAGGSA-N 1 1 196.338 1.977 10 30 ADEEMO C=CC[C@@H](C)[N@H+](C)CCC(=O)NC 878045821 583404467 /nfs/dbraw/zinc/40/44/67/583404467.db2.gz NCFHRDHFMVKIKQ-SECBINFHSA-N 1 1 184.283 1.019 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CCC[C@H](N(C)C)C1 878040775 583404541 /nfs/dbraw/zinc/40/45/41/583404541.db2.gz OATYDUGSVNKECX-RYUDHWBXSA-N 1 1 196.338 1.977 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@@H](COC)C1 878122945 583404860 /nfs/dbraw/zinc/40/48/60/583404860.db2.gz MPWUKSHHQBXSOR-WDEREUQCSA-N 1 1 183.295 1.919 10 30 ADEEMO C=CC[C@H](C)[NH+]1CCS(=O)CC1 878093148 583404890 /nfs/dbraw/zinc/40/48/90/583404890.db2.gz GJRFTWUBNVGGIA-VIFPVBQESA-N 1 1 187.308 1.015 10 30 ADEEMO C=CC[C@H](C)[N@@H+](C)Cc1cc[nH]n1 878098117 583404951 /nfs/dbraw/zinc/40/49/51/583404951.db2.gz SHYJZUHIJVTGGI-VIFPVBQESA-N 1 1 179.267 1.806 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CC[C@H](COC)C1 878122943 583404983 /nfs/dbraw/zinc/40/49/83/583404983.db2.gz MPWUKSHHQBXSOR-MNOVXSKESA-N 1 1 183.295 1.919 10 30 ADEEMO C=CC[C@H](C)[N@@H+](C)CCN1CCCC1 878100167 583404985 /nfs/dbraw/zinc/40/49/85/583404985.db2.gz MBPKYEXHQLEKJV-LBPRGKRZSA-N 1 1 196.338 1.979 10 30 ADEEMO C=CC[C@H](C)N(C)CC[NH+]1CCCC1 878100167 583404986 /nfs/dbraw/zinc/40/49/86/583404986.db2.gz MBPKYEXHQLEKJV-LBPRGKRZSA-N 1 1 196.338 1.979 10 30 ADEEMO C=CC[C@@H](C)[N@@H+](C)Cc1cc[nH]n1 878098115 583405070 /nfs/dbraw/zinc/40/50/70/583405070.db2.gz SHYJZUHIJVTGGI-SECBINFHSA-N 1 1 179.267 1.806 10 30 ADEEMO C=CC[C@@H](C)[NH+]1CCS(=O)CC1 878093147 583405195 /nfs/dbraw/zinc/40/51/95/583405195.db2.gz GJRFTWUBNVGGIA-SECBINFHSA-N 1 1 187.308 1.015 10 30 ADEEMO C=CC[C@H](C)[N@@H+](C)[C@@H]1CCN(C)C1=O 878122241 583405249 /nfs/dbraw/zinc/40/52/49/583405249.db2.gz ZOGCSQYOBGJTSI-VHSXEESVSA-N 1 1 196.294 1.114 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CC[C@@H](COC)C1 878122942 583405325 /nfs/dbraw/zinc/40/53/25/583405325.db2.gz MPWUKSHHQBXSOR-GHMZBOCLSA-N 1 1 183.295 1.919 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@H](COC)C1 878122944 583405417 /nfs/dbraw/zinc/40/54/17/583405417.db2.gz MPWUKSHHQBXSOR-QWRGUYRKSA-N 1 1 183.295 1.919 10 30 ADEEMO C=CC[C@H](C)[N@@H+](C)[C@H]1CCN(C)C1=O 878122240 583405450 /nfs/dbraw/zinc/40/54/50/583405450.db2.gz ZOGCSQYOBGJTSI-UWVGGRQHSA-N 1 1 196.294 1.114 10 30 ADEEMO C=CC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C)C1=O 878122239 583405515 /nfs/dbraw/zinc/40/55/15/583405515.db2.gz ZOGCSQYOBGJTSI-NXEZZACHSA-N 1 1 196.294 1.114 10 30 ADEEMO C=CC[C@H](C)[N@@H+](C)CCn1cccn1 878096571 583405560 /nfs/dbraw/zinc/40/55/60/583405560.db2.gz UGIIPJZYUQMXOX-NSHDSACASA-N 1 1 193.294 1.780 10 30 ADEEMO C=CC[C@@H](C)[N@@H+](C)CCN1CCCC1 878100166 583405592 /nfs/dbraw/zinc/40/55/92/583405592.db2.gz MBPKYEXHQLEKJV-GFCCVEGCSA-N 1 1 196.338 1.979 10 30 ADEEMO C=CC[C@@H](C)N(C)CC[NH+]1CCCC1 878100166 583405593 /nfs/dbraw/zinc/40/55/93/583405593.db2.gz MBPKYEXHQLEKJV-GFCCVEGCSA-N 1 1 196.338 1.979 10 30 ADEEMO C=CC[C@@H](C)[N@@H+](C)[C@H]1CCN(C)C1=O 878122242 583405402 /nfs/dbraw/zinc/40/54/02/583405402.db2.gz ZOGCSQYOBGJTSI-ZJUUUORDSA-N 1 1 196.294 1.114 10 30 ADEEMO C=CC[C@@H](C)[N@@H+](C)CCn1cccn1 878096570 583405684 /nfs/dbraw/zinc/40/56/84/583405684.db2.gz UGIIPJZYUQMXOX-LLVKDONJSA-N 1 1 193.294 1.780 10 30 ADEEMO C=CC[C@H](C(=O)OC)[N@H+]1CCC[C@H]1C 878150967 583405937 /nfs/dbraw/zinc/40/59/37/583405937.db2.gz RCRVTJSFFNOGFV-NXEZZACHSA-N 1 1 197.278 1.588 10 30 ADEEMO C=CC[C@H](C)[N@H+](C)C[C@H](C)C(=O)NC 878161807 583406005 /nfs/dbraw/zinc/40/60/05/583406005.db2.gz CTFGUWQSLQLCLH-UWVGGRQHSA-N 1 1 198.310 1.265 10 30 ADEEMO C#CC[N@@H+](CC)CC[C@@H](O)C(C)C 878167295 583406069 /nfs/dbraw/zinc/40/60/69/583406069.db2.gz RVXQVGUNZSUFSN-LLVKDONJSA-N 1 1 183.295 1.349 10 30 ADEEMO C=CC[C@@H](C)[N@H+](C)C[C@H](C)C(=O)NC 878161808 583406126 /nfs/dbraw/zinc/40/61/26/583406126.db2.gz CTFGUWQSLQLCLH-VHSXEESVSA-N 1 1 198.310 1.265 10 30 ADEEMO C#CC[N@H+](CC)C[C@H]1CC(C)(C)CO1 878167345 583406158 /nfs/dbraw/zinc/40/61/58/583406158.db2.gz SPSNBRNFUKYNPG-LLVKDONJSA-N 1 1 195.306 1.757 10 30 ADEEMO C#CC[N@H+](CC)C[C@@H]1CC(C)(C)CO1 878167347 583406172 /nfs/dbraw/zinc/40/61/72/583406172.db2.gz SPSNBRNFUKYNPG-NSHDSACASA-N 1 1 195.306 1.757 10 30 ADEEMO C=CC[C@H](C(=O)OC)[N@H+]1CCC[C@@H]1C 878150969 583406198 /nfs/dbraw/zinc/40/61/98/583406198.db2.gz RCRVTJSFFNOGFV-VHSXEESVSA-N 1 1 197.278 1.588 10 30 ADEEMO C=CC[C@@H](C(=O)OC)[N@H+]1CCC[C@H]1C 878150970 583406218 /nfs/dbraw/zinc/40/62/18/583406218.db2.gz RCRVTJSFFNOGFV-ZJUUUORDSA-N 1 1 197.278 1.588 10 30 ADEEMO C#CC[NH+](CC#C)CC1(CC#N)CC1 878152024 583406248 /nfs/dbraw/zinc/40/62/48/583406248.db2.gz GQTHPOZDRQYATK-UHFFFAOYSA-N 1 1 186.258 1.249 10 30 ADEEMO C=CC[C@H](C)[N@H+](C)C[C@@H](C)C(=O)NC 878161809 583406376 /nfs/dbraw/zinc/40/63/76/583406376.db2.gz CTFGUWQSLQLCLH-ZJUUUORDSA-N 1 1 198.310 1.265 10 30 ADEEMO C=CC[C@@H](C(=O)OC)[N@H+]1CCC[C@@H]1C 878150968 583406388 /nfs/dbraw/zinc/40/63/88/583406388.db2.gz RCRVTJSFFNOGFV-UWVGGRQHSA-N 1 1 197.278 1.588 10 30 ADEEMO C#CC[N@@H+](CC)CC[C@H](O)C(C)C 878167297 583406482 /nfs/dbraw/zinc/40/64/82/583406482.db2.gz RVXQVGUNZSUFSN-NSHDSACASA-N 1 1 183.295 1.349 10 30 ADEEMO C#CC[N@H+](CC)C[C@H]1C[C@@H](OC)C1 878166845 583406551 /nfs/dbraw/zinc/40/65/51/583406551.db2.gz HLUOXZPJVGBSLL-PHIMTYICSA-N 1 1 181.279 1.367 10 30 ADEEMO C=CC[C@@H](C)[N@H+](C)C[C@@H](C)C(=O)NC 878161806 583406672 /nfs/dbraw/zinc/40/66/72/583406672.db2.gz CTFGUWQSLQLCLH-NXEZZACHSA-N 1 1 198.310 1.265 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1C[C@@H]2CC[C@H](C1)O2 878152357 583406724 /nfs/dbraw/zinc/40/67/24/583406724.db2.gz KBLUWRPGIWWCBD-MXWKQRLJSA-N 1 1 181.279 1.814 10 30 ADEEMO C=CC[C@H](C)[N@H+]1C[C@@H]2CC[C@H](C1)O2 878152356 583406859 /nfs/dbraw/zinc/40/68/59/583406859.db2.gz KBLUWRPGIWWCBD-GARJFASQSA-N 1 1 181.279 1.814 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@@H](OC)C1 878166612 583406942 /nfs/dbraw/zinc/40/69/42/583406942.db2.gz ZLQDCRKEHPYZNI-VHSXEESVSA-N 1 1 169.268 1.672 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CC[C@@H](OC)C1 878166611 583406975 /nfs/dbraw/zinc/40/69/75/583406975.db2.gz ZLQDCRKEHPYZNI-NXEZZACHSA-N 1 1 169.268 1.672 10 30 ADEEMO C=CC[C@H](C)[N@@H+](C)C[C@@H]1CCOC1 878167784 583407143 /nfs/dbraw/zinc/40/71/43/583407143.db2.gz JPPLKUZZNALIBB-QWRGUYRKSA-N 1 1 183.295 1.919 10 30 ADEEMO C#CC[N@H+](CC)[C@H](C)CC=C 878167496 583407341 /nfs/dbraw/zinc/40/73/41/583407341.db2.gz UXBKVFJLMFHXJS-SNVBAGLBSA-N 1 1 151.253 1.906 10 30 ADEEMO C=CC[C@@H](C)[N@@H+](C)C[C@H]1CCOC1 878167782 583407532 /nfs/dbraw/zinc/40/75/32/583407532.db2.gz JPPLKUZZNALIBB-GHMZBOCLSA-N 1 1 183.295 1.919 10 30 ADEEMO C#CC[N@H+](CC)Cc1cc[nH]c(=O)c1 878167482 583407607 /nfs/dbraw/zinc/40/76/07/583407607.db2.gz UPYNYEMFNDDWTG-UHFFFAOYSA-N 1 1 190.246 1.242 10 30 ADEEMO C=CC[C@H](C)[N@@H+](C)C[C@H]1CCOC1 878167785 583407714 /nfs/dbraw/zinc/40/77/14/583407714.db2.gz JPPLKUZZNALIBB-WDEREUQCSA-N 1 1 183.295 1.919 10 30 ADEEMO C#CC[N@H+](CC)[C@@H](C)CC=C 878167495 583407741 /nfs/dbraw/zinc/40/77/41/583407741.db2.gz UXBKVFJLMFHXJS-JTQLQIEISA-N 1 1 151.253 1.906 10 30 ADEEMO C=CC[C@@H](C)[N@@H+](C)Cc1cnccn1 878170927 583407823 /nfs/dbraw/zinc/40/78/23/583407823.db2.gz UAULRWILYQVSFJ-SNVBAGLBSA-N 1 1 191.278 1.873 10 30 ADEEMO C=CC[C@H](C)[N@@H+](C)Cc1cnccn1 878170926 583407850 /nfs/dbraw/zinc/40/78/50/583407850.db2.gz UAULRWILYQVSFJ-JTQLQIEISA-N 1 1 191.278 1.873 10 30 ADEEMO C#CC[N@H+](CC(C)=O)C1CCCC1 878185193 583407878 /nfs/dbraw/zinc/40/78/78/583407878.db2.gz HGLMOXVZCCFSDO-UHFFFAOYSA-N 1 1 179.263 1.453 10 30 ADEEMO C=CC[C@@H](C)[N@@H+](C)C[C@@H]1CCOC1 878167783 583407885 /nfs/dbraw/zinc/40/78/85/583407885.db2.gz JPPLKUZZNALIBB-MNOVXSKESA-N 1 1 183.295 1.919 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CCc2c[nH]nc2C1 878291765 583408232 /nfs/dbraw/zinc/40/82/32/583408232.db2.gz QABIMTKKVUCGOV-VIFPVBQESA-N 1 1 191.278 1.732 10 30 ADEEMO C=CC[C@H](C)[N@@H+]1CCc2cn[nH]c2C1 878291765 583408234 /nfs/dbraw/zinc/40/82/34/583408234.db2.gz QABIMTKKVUCGOV-VIFPVBQESA-N 1 1 191.278 1.732 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CCc2cn[nH]c2C1 878291765 583408235 /nfs/dbraw/zinc/40/82/35/583408235.db2.gz QABIMTKKVUCGOV-VIFPVBQESA-N 1 1 191.278 1.732 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CCc2c[nH]nc2C1 878291764 583408252 /nfs/dbraw/zinc/40/82/52/583408252.db2.gz QABIMTKKVUCGOV-SECBINFHSA-N 1 1 191.278 1.732 10 30 ADEEMO C=CC[C@@H](C)[N@@H+]1CCc2cn[nH]c2C1 878291764 583408253 /nfs/dbraw/zinc/40/82/53/583408253.db2.gz QABIMTKKVUCGOV-SECBINFHSA-N 1 1 191.278 1.732 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CCc2cn[nH]c2C1 878291764 583408254 /nfs/dbraw/zinc/40/82/54/583408254.db2.gz QABIMTKKVUCGOV-SECBINFHSA-N 1 1 191.278 1.732 10 30 ADEEMO C=CC[C@@H](C)[N@@H+](C)Cc1cn[nH]c1 878263644 583408259 /nfs/dbraw/zinc/40/82/59/583408259.db2.gz QTAQGHJJWRADDR-SECBINFHSA-N 1 1 179.267 1.806 10 30 ADEEMO C=CC[C@H](C)[N@@H+](C)Cc1cn[nH]c1 878263645 583408353 /nfs/dbraw/zinc/40/83/53/583408353.db2.gz QTAQGHJJWRADDR-VIFPVBQESA-N 1 1 179.267 1.806 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CCN(CC)[C@H](C)C1 878299827 583408406 /nfs/dbraw/zinc/40/84/06/583408406.db2.gz YJWICVFPNVUDDO-VXGBXAGGSA-N 1 1 196.338 1.977 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CCOC[C@H](C)C1 878298335 583408440 /nfs/dbraw/zinc/40/84/40/583408440.db2.gz HIILUPVIIWPSSK-MNOVXSKESA-N 1 1 183.295 1.919 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CCN(CC)[C@H](C)C1 878299824 583408454 /nfs/dbraw/zinc/40/84/54/583408454.db2.gz YJWICVFPNVUDDO-NWDGAFQWSA-N 1 1 196.338 1.977 10 30 ADEEMO C=CC[C@@H](C)[N@H+](C)CCCC(=O)NC 878296125 583408607 /nfs/dbraw/zinc/40/86/07/583408607.db2.gz AQMGMACISBHCNJ-SNVBAGLBSA-N 1 1 198.310 1.409 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CCOC[C@@H](C)C1 878298337 583408622 /nfs/dbraw/zinc/40/86/22/583408622.db2.gz HIILUPVIIWPSSK-QWRGUYRKSA-N 1 1 183.295 1.919 10 30 ADEEMO C=CC[C@H](C)[N@H+](C)CCCC(=O)NC 878296124 583408661 /nfs/dbraw/zinc/40/86/61/583408661.db2.gz AQMGMACISBHCNJ-JTQLQIEISA-N 1 1 198.310 1.409 10 30 ADEEMO C=CC[C@H](C(=O)OC)[N@H+]1CC[C@@H]2C[C@@H]21 878315958 583408663 /nfs/dbraw/zinc/40/86/63/583408663.db2.gz DWJRANCZUZYBEU-BBBLOLIVSA-N 1 1 195.262 1.198 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CCc2n[nH]cc2C1 878311063 583408700 /nfs/dbraw/zinc/40/87/00/583408700.db2.gz ZHDVIRHFNNHJBQ-VIFPVBQESA-N 1 1 191.278 1.732 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CCN(CC)[C@@H](C)C1 878299826 583408733 /nfs/dbraw/zinc/40/87/33/583408733.db2.gz YJWICVFPNVUDDO-RYUDHWBXSA-N 1 1 196.338 1.977 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CCN(CC)[C@@H](C)C1 878299819 583408802 /nfs/dbraw/zinc/40/88/02/583408802.db2.gz YJWICVFPNVUDDO-NEPJUHHUSA-N 1 1 196.338 1.977 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CCOC[C@H](C)C1 878298333 583408897 /nfs/dbraw/zinc/40/88/97/583408897.db2.gz HIILUPVIIWPSSK-GHMZBOCLSA-N 1 1 183.295 1.919 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CCc2n[nH]cc2C1 878311062 583408920 /nfs/dbraw/zinc/40/89/20/583408920.db2.gz ZHDVIRHFNNHJBQ-SECBINFHSA-N 1 1 191.278 1.732 10 30 ADEEMO C=CC[C@@H](C)[N@@H+](C)Cc1ncc[nH]1 878315363 583409047 /nfs/dbraw/zinc/40/90/47/583409047.db2.gz MSRJOPQXOVXLFG-SECBINFHSA-N 1 1 179.267 1.806 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CCOC[C@@H](C)C1 878298338 583409054 /nfs/dbraw/zinc/40/90/54/583409054.db2.gz HIILUPVIIWPSSK-WDEREUQCSA-N 1 1 183.295 1.919 10 30 ADEEMO C=C(C)C[N@H+](C)CC[C@H](O)C(C)C 878382606 583409370 /nfs/dbraw/zinc/40/93/70/583409370.db2.gz DRWGFZZQBXQLLC-NSHDSACASA-N 1 1 185.311 1.901 10 30 ADEEMO C=C(C)C[N@H+](C)C[C@H]1C[C@@H](OC)C1 878382961 583409453 /nfs/dbraw/zinc/40/94/53/583409453.db2.gz IFGHLTPJKGCKAG-PHIMTYICSA-N 1 1 183.295 1.919 10 30 ADEEMO C=CC[C@@H](C)[N@@H+](C)C1CC(O)C1 878430898 583411171 /nfs/dbraw/zinc/41/11/71/583411171.db2.gz WBGOQGKUISIWSV-XNWIYYODSA-N 1 1 169.268 1.406 10 30 ADEEMO C=CC[C@H](C(=O)OC)[N@H+](C)CC(=C)C 878383340 583409694 /nfs/dbraw/zinc/40/96/94/583409694.db2.gz NSRXYCLICHIJAC-SNVBAGLBSA-N 1 1 197.278 1.612 10 30 ADEEMO C=CC[C@H](C(=O)OC)[N@@H+](C)CC(=C)C 878383340 583409697 /nfs/dbraw/zinc/40/96/97/583409697.db2.gz NSRXYCLICHIJAC-SNVBAGLBSA-N 1 1 197.278 1.612 10 30 ADEEMO C=C(C)C[N@H+](C)CC[C@@H](O)C(C)C 878382605 583409842 /nfs/dbraw/zinc/40/98/42/583409842.db2.gz DRWGFZZQBXQLLC-LLVKDONJSA-N 1 1 185.311 1.901 10 30 ADEEMO C=CC[C@@H](C)[N@H+](C)CCOCC 878341223 583409845 /nfs/dbraw/zinc/40/98/45/583409845.db2.gz UHUZFCSFAAIYLY-SNVBAGLBSA-N 1 1 171.284 1.919 10 30 ADEEMO C=CC[C@H](C)[N@H+](C)CCOCC 878341220 583409876 /nfs/dbraw/zinc/40/98/76/583409876.db2.gz UHUZFCSFAAIYLY-JTQLQIEISA-N 1 1 171.284 1.919 10 30 ADEEMO C=CC[C@@H](C(=O)OC)[N@H+]1CC=CCC1 878385249 583409983 /nfs/dbraw/zinc/40/99/83/583409983.db2.gz WRRIWFLXMBEYFL-JTQLQIEISA-N 1 1 195.262 1.366 10 30 ADEEMO C=CC[C@@H](C(=O)OC)[N@@H+]1CC=CCC1 878385249 583409985 /nfs/dbraw/zinc/40/99/85/583409985.db2.gz WRRIWFLXMBEYFL-JTQLQIEISA-N 1 1 195.262 1.366 10 30 ADEEMO C=CC[C@@H](C(=O)OC)[N@H+](C)CC(=C)C 878383339 583410065 /nfs/dbraw/zinc/41/00/65/583410065.db2.gz NSRXYCLICHIJAC-JTQLQIEISA-N 1 1 197.278 1.612 10 30 ADEEMO C=CC[C@@H](C(=O)OC)[N@@H+](C)CC(=C)C 878383339 583410067 /nfs/dbraw/zinc/41/00/67/583410067.db2.gz NSRXYCLICHIJAC-JTQLQIEISA-N 1 1 197.278 1.612 10 30 ADEEMO C=CC[C@H](C(=O)OC)[N@H+]1CC=CCC1 878385250 583410109 /nfs/dbraw/zinc/41/01/09/583410109.db2.gz WRRIWFLXMBEYFL-SNVBAGLBSA-N 1 1 195.262 1.366 10 30 ADEEMO C=CC[C@H](C(=O)OC)[N@@H+]1CC=CCC1 878385250 583410112 /nfs/dbraw/zinc/41/01/12/583410112.db2.gz WRRIWFLXMBEYFL-SNVBAGLBSA-N 1 1 195.262 1.366 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@](O)(CC)C1 878465157 583410460 /nfs/dbraw/zinc/41/04/60/583410460.db2.gz AIHXQFQRQQUJEZ-WDEREUQCSA-N 1 1 183.295 1.798 10 30 ADEEMO C#CC[N@H+](CC[C@H](O)C(C)C)C1CC1 878434870 583410493 /nfs/dbraw/zinc/41/04/93/583410493.db2.gz VLVUBRFYBOPJOF-LBPRGKRZSA-N 1 1 195.306 1.491 10 30 ADEEMO C=CC[C@H](C)[N@@H+](C)CC1(O)CCC1 878430889 583410594 /nfs/dbraw/zinc/41/05/94/583410594.db2.gz VXHLVHKOPDJEMV-JTQLQIEISA-N 1 1 183.295 1.798 10 30 ADEEMO C=CC[C@H](C)[N@@H+](C)CC1(CO)CC1 878481750 583410617 /nfs/dbraw/zinc/41/06/17/583410617.db2.gz GYFRUPODNIHEHM-JTQLQIEISA-N 1 1 183.295 1.655 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@@](O)(CC)C1 878465156 583410622 /nfs/dbraw/zinc/41/06/22/583410622.db2.gz AIHXQFQRQQUJEZ-QWRGUYRKSA-N 1 1 183.295 1.798 10 30 ADEEMO C=CC[N@H+](C)C[C@H]1C[C@@H](OC)C1 878461329 583410626 /nfs/dbraw/zinc/41/06/26/583410626.db2.gz KQHKDNBEYZNXIN-AOOOYVTPSA-N 1 1 169.268 1.529 10 30 ADEEMO C=CCC[N@H+](C)[C@@H](CC=C)C(=O)OC 878490822 583410731 /nfs/dbraw/zinc/41/07/31/583410731.db2.gz SJXMLZWNERTNKF-JTQLQIEISA-N 1 1 197.278 1.612 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CCN(CC)C(=O)C1 878428388 583410756 /nfs/dbraw/zinc/41/07/56/583410756.db2.gz SVCBYZRNCACXCG-SNVBAGLBSA-N 1 1 196.294 1.115 10 30 ADEEMO C=CC[C@@H](C)[N@@H+](C)CCN(C)C1CC1 878442836 583410793 /nfs/dbraw/zinc/41/07/93/583410793.db2.gz BPPZOTPCEBMQKD-LLVKDONJSA-N 1 1 196.338 1.977 10 30 ADEEMO C=CC[N@H+](C)CC[C@H](O)C(C)C 878461675 583410822 /nfs/dbraw/zinc/41/08/22/583410822.db2.gz OCMSKGLMULKPMF-JTQLQIEISA-N 1 1 171.284 1.511 10 30 ADEEMO C=CC[C@@H](C)[N@@H+]1CCn2ncnc2C1 878445091 583410829 /nfs/dbraw/zinc/41/08/29/583410829.db2.gz TYZINEQYQZGFPV-SECBINFHSA-N 1 1 192.266 1.058 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CCn2ncnc2C1 878445091 583410831 /nfs/dbraw/zinc/41/08/31/583410831.db2.gz TYZINEQYQZGFPV-SECBINFHSA-N 1 1 192.266 1.058 10 30 ADEEMO C#CCCCCC[N@H+](C)C1CC(O)C1 878428811 583410876 /nfs/dbraw/zinc/41/08/76/583410876.db2.gz SNPZZHOTUUOKBD-UHFFFAOYSA-N 1 1 195.306 1.635 10 30 ADEEMO C=CC[C@H](C)[N@@H+](C)CCN(C)C1CC1 878442838 583410880 /nfs/dbraw/zinc/41/08/80/583410880.db2.gz BPPZOTPCEBMQKD-NSHDSACASA-N 1 1 196.338 1.977 10 30 ADEEMO C=CC[C@H](C)[N@@H+]1CCn2ncnc2C1 878445092 583410892 /nfs/dbraw/zinc/41/08/92/583410892.db2.gz TYZINEQYQZGFPV-VIFPVBQESA-N 1 1 192.266 1.058 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CCn2ncnc2C1 878445092 583410894 /nfs/dbraw/zinc/41/08/94/583410894.db2.gz TYZINEQYQZGFPV-VIFPVBQESA-N 1 1 192.266 1.058 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CCN(CC)C(=O)C1 878428387 583410903 /nfs/dbraw/zinc/41/09/03/583410903.db2.gz SVCBYZRNCACXCG-JTQLQIEISA-N 1 1 196.294 1.115 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CC[C@@](O)(CC)C1 878465155 583410933 /nfs/dbraw/zinc/41/09/33/583410933.db2.gz AIHXQFQRQQUJEZ-MNOVXSKESA-N 1 1 183.295 1.798 10 30 ADEEMO C#CC[N@H+](C[C@H]1C[C@@H](OC)C1)C1CC1 878434882 583410972 /nfs/dbraw/zinc/41/09/72/583410972.db2.gz VXIBKAUOBZFKSF-KLPPZKSPSA-N 1 1 193.290 1.509 10 30 ADEEMO C=CC[C@@H](C)[N@@H+](C)CC1(CO)CC1 878481751 583411074 /nfs/dbraw/zinc/41/10/74/583411074.db2.gz GYFRUPODNIHEHM-SNVBAGLBSA-N 1 1 183.295 1.655 10 30 ADEEMO C#CC[N@H+](CC[C@@H](O)C(C)C)C1CC1 878434869 583411174 /nfs/dbraw/zinc/41/11/74/583411174.db2.gz VLVUBRFYBOPJOF-GFCCVEGCSA-N 1 1 195.306 1.491 10 30 ADEEMO C=CC[C@H](C)[N@@H+](C)C1CC(O)C1 878430897 583411183 /nfs/dbraw/zinc/41/11/83/583411183.db2.gz WBGOQGKUISIWSV-IDKOKCKLSA-N 1 1 169.268 1.406 10 30 ADEEMO C=CC[C@@H](C)[N@@H+](C)CC1(O)CCC1 878430890 583411198 /nfs/dbraw/zinc/41/11/98/583411198.db2.gz VXHLVHKOPDJEMV-SNVBAGLBSA-N 1 1 183.295 1.798 10 30 ADEEMO C=CC[N@H+](C)CC[C@@H](O)C(C)C 878461676 583411210 /nfs/dbraw/zinc/41/12/10/583411210.db2.gz OCMSKGLMULKPMF-SNVBAGLBSA-N 1 1 171.284 1.511 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CC[C@](O)(CC)C1 878465154 583411232 /nfs/dbraw/zinc/41/12/32/583411232.db2.gz AIHXQFQRQQUJEZ-GHMZBOCLSA-N 1 1 183.295 1.798 10 30 ADEEMO C=CCC[N@H+](C)[C@H](CC=C)C(=O)OC 878490823 583411241 /nfs/dbraw/zinc/41/12/41/583411241.db2.gz SJXMLZWNERTNKF-SNVBAGLBSA-N 1 1 197.278 1.612 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CCc2nn[nH]c2C1 878491916 583411444 /nfs/dbraw/zinc/41/14/44/583411444.db2.gz WBQRCUZVVHCFQM-MRVPVSSYSA-N 1 1 192.266 1.127 10 30 ADEEMO C=CC[C@@H](C)[N@@H+]1CCc2n[nH]nc2C1 878491916 583411445 /nfs/dbraw/zinc/41/14/45/583411445.db2.gz WBQRCUZVVHCFQM-MRVPVSSYSA-N 1 1 192.266 1.127 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CCc2n[nH]nc2C1 878491916 583411446 /nfs/dbraw/zinc/41/14/46/583411446.db2.gz WBQRCUZVVHCFQM-MRVPVSSYSA-N 1 1 192.266 1.127 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)C[C@@H]1CC(C)(C)CO1 878517323 583411453 /nfs/dbraw/zinc/41/14/53/583411453.db2.gz PEXCFKVGJMBQOE-MNOVXSKESA-N 1 1 195.306 1.755 10 30 ADEEMO C=CC[C@@H](C)[N@@H+]1C[C@H](OC)[C@H](OC)C1 878505292 583411456 /nfs/dbraw/zinc/41/14/56/583411456.db2.gz FJDGAOVAQATBNB-MXWKQRLJSA-N 1 1 199.294 1.297 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)Cc1cc[nH]c(=O)c1 878517353 583411458 /nfs/dbraw/zinc/41/14/58/583411458.db2.gz QNLROQCUOWKVDK-SECBINFHSA-N 1 1 190.246 1.241 10 30 ADEEMO C#CC[N@H+](C)C[C@@H]1C[C@H]2CCC[C@H]2O1 878501359 583411472 /nfs/dbraw/zinc/41/14/72/583411472.db2.gz OQDCAGWWPZUZSD-GRYCIOLGSA-N 1 1 193.290 1.509 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)CC1(CC#N)CC1 878516588 583411491 /nfs/dbraw/zinc/41/14/91/583411491.db2.gz HUADAZVCNUMGHV-SNVBAGLBSA-N 1 1 176.263 1.634 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)CC1(CC#N)CC1 878516587 583411504 /nfs/dbraw/zinc/41/15/04/583411504.db2.gz HUADAZVCNUMGHV-JTQLQIEISA-N 1 1 176.263 1.634 10 30 ADEEMO C#C[C@H](C)[N@H+](C)CC[C@H](O)C(C)C 878516583 583411516 /nfs/dbraw/zinc/41/15/16/583411516.db2.gz HCQSRHOLXZBXQS-QWRGUYRKSA-N 1 1 183.295 1.347 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)C[C@H]1CC(C)(C)CO1 878517325 583411526 /nfs/dbraw/zinc/41/15/26/583411526.db2.gz PEXCFKVGJMBQOE-WDEREUQCSA-N 1 1 195.306 1.755 10 30 ADEEMO C#CC[N@H+](C)C[C@@H]1CCC2(CCC2)O1 878500749 583411571 /nfs/dbraw/zinc/41/15/71/583411571.db2.gz IXORHKXWABIJEF-NSHDSACASA-N 1 1 193.290 1.653 10 30 ADEEMO C#CC[N@H+](C)C[C@@H]1CC(C)(C)CO1 878500763 583411612 /nfs/dbraw/zinc/41/16/12/583411612.db2.gz JDJARPRTHKXDLC-JTQLQIEISA-N 1 1 181.279 1.367 10 30 ADEEMO C=CCC[N@@H+](C)Cc1nocc1C 878490389 583411662 /nfs/dbraw/zinc/41/16/62/583411662.db2.gz JTDZQANTAVOMIT-UHFFFAOYSA-N 1 1 180.251 1.991 10 30 ADEEMO C=CCC[N@H+](C)Cc1nocc1C 878490389 583411664 /nfs/dbraw/zinc/41/16/64/583411664.db2.gz JTDZQANTAVOMIT-UHFFFAOYSA-N 1 1 180.251 1.991 10 30 ADEEMO C#C[C@@H](C)[N@H+](C)CC[C@H](O)C(C)C 878516582 583411681 /nfs/dbraw/zinc/41/16/81/583411681.db2.gz HCQSRHOLXZBXQS-MNOVXSKESA-N 1 1 183.295 1.347 10 30 ADEEMO C=CC[C@@H](C(=O)OC)[N@H+]1[C@@H](C)C[C@H]1C 878533748 583411705 /nfs/dbraw/zinc/41/17/05/583411705.db2.gz RRIOBMARDQVWSO-AEJSXWLSSA-N 1 1 197.278 1.587 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)C[C@@H]1CC(C)(C)CO1 878517324 583411714 /nfs/dbraw/zinc/41/17/14/583411714.db2.gz PEXCFKVGJMBQOE-QWRGUYRKSA-N 1 1 195.306 1.755 10 30 ADEEMO C=CC[C@H](C)[N@@H+]1C[C@H](OC)[C@H](OC)C1 878505291 583411757 /nfs/dbraw/zinc/41/17/57/583411757.db2.gz FJDGAOVAQATBNB-GARJFASQSA-N 1 1 199.294 1.297 10 30 ADEEMO C#CC(C)(C)[N@H+](C)CC[C@@H](O)C(C)C 878514602 583411762 /nfs/dbraw/zinc/41/17/62/583411762.db2.gz WRTVKWLSQVVAKD-LLVKDONJSA-N 1 1 197.322 1.737 10 30 ADEEMO C#C[C@H](C)[N@H+](C)C[C@H]1C[C@@H](OC)C1 878517575 583411772 /nfs/dbraw/zinc/41/17/72/583411772.db2.gz SZLXYPQGHQMZAL-GARJFASQSA-N 1 1 181.279 1.365 10 30 ADEEMO C#CC[N@H+](C)C[C@H]1CC(C)(C)CO1 878500764 583411831 /nfs/dbraw/zinc/41/18/31/583411831.db2.gz JDJARPRTHKXDLC-SNVBAGLBSA-N 1 1 181.279 1.367 10 30 ADEEMO C#CC[N@H+](C)C[C@H]1CCC(C)(C)CO1 878500098 583411845 /nfs/dbraw/zinc/41/18/45/583411845.db2.gz BRPOSOXALCZSSP-LLVKDONJSA-N 1 1 195.306 1.757 10 30 ADEEMO C#C[C@@H](C)[N@H+](C)C[C@H]1C[C@@H](OC)C1 878517577 583411855 /nfs/dbraw/zinc/41/18/55/583411855.db2.gz SZLXYPQGHQMZAL-MXWKQRLJSA-N 1 1 181.279 1.365 10 30 ADEEMO C#CC[N@H+](C)C[C@@H]1C[C@@H]2CCC[C@H]2O1 878501360 583411857 /nfs/dbraw/zinc/41/18/57/583411857.db2.gz OQDCAGWWPZUZSD-SDDRHHMPSA-N 1 1 193.290 1.509 10 30 ADEEMO C=CCC[N@H+](C)CC[C@H](O)C(C)C 878490556 583411882 /nfs/dbraw/zinc/41/18/82/583411882.db2.gz ODQABEZUEGWRPJ-NSHDSACASA-N 1 1 185.311 1.901 10 30 ADEEMO C#CC(C)(C)[N@H+](C)CCN(C#N)CC 878513429 583411891 /nfs/dbraw/zinc/41/18/91/583411891.db2.gz BDLCAKMKZRISPU-UHFFFAOYSA-N 1 1 193.294 1.133 10 30 ADEEMO C=CC[C@H](C(=O)OC)[N@H+]1[C@@H](C)C[C@H]1C 878533750 583411915 /nfs/dbraw/zinc/41/19/15/583411915.db2.gz RRIOBMARDQVWSO-KXUCPTDWSA-N 1 1 197.278 1.587 10 30 ADEEMO C#CC(C)(C)[N@H+](C)C[C@H]1C[C@@H](OC)C1 878514495 583412012 /nfs/dbraw/zinc/41/20/12/583412012.db2.gz WLFDKVPIQFTEHC-PHIMTYICSA-N 1 1 195.306 1.755 10 30 ADEEMO C#CC[N@H+](C)C[C@@H]1CCC(C)(C)CO1 878500099 583412024 /nfs/dbraw/zinc/41/20/24/583412024.db2.gz BRPOSOXALCZSSP-NSHDSACASA-N 1 1 195.306 1.757 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)C[C@H]1CC(C)(C)CO1 878517322 583412082 /nfs/dbraw/zinc/41/20/82/583412082.db2.gz PEXCFKVGJMBQOE-GHMZBOCLSA-N 1 1 195.306 1.755 10 30 ADEEMO C#C[C@H](C)[N@H+](C)CC[C@@H](O)C(C)C 878516584 583412091 /nfs/dbraw/zinc/41/20/91/583412091.db2.gz HCQSRHOLXZBXQS-WDEREUQCSA-N 1 1 183.295 1.347 10 30 ADEEMO C#CC[N@H+](C)C[C@@H]1C[C@H]2CCC[C@@H]2O1 878501362 583412114 /nfs/dbraw/zinc/41/21/14/583412114.db2.gz OQDCAGWWPZUZSD-WOPDTQHZSA-N 1 1 193.290 1.509 10 30 ADEEMO C#CC(C)(C)[N@H+](C)CC[C@H](O)C(C)C 878514603 583412137 /nfs/dbraw/zinc/41/21/37/583412137.db2.gz WRTVKWLSQVVAKD-NSHDSACASA-N 1 1 197.322 1.737 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CCc2nn[nH]c2C1 878491917 583412148 /nfs/dbraw/zinc/41/21/48/583412148.db2.gz WBQRCUZVVHCFQM-QMMMGPOBSA-N 1 1 192.266 1.127 10 30 ADEEMO C=CC[C@H](C)[N@@H+]1CCc2n[nH]nc2C1 878491917 583412150 /nfs/dbraw/zinc/41/21/50/583412150.db2.gz WBQRCUZVVHCFQM-QMMMGPOBSA-N 1 1 192.266 1.127 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CCc2n[nH]nc2C1 878491917 583412151 /nfs/dbraw/zinc/41/21/51/583412151.db2.gz WBQRCUZVVHCFQM-QMMMGPOBSA-N 1 1 192.266 1.127 10 30 ADEEMO C=CCC[N@H+](C)CC[C@@H](O)C(C)C 878490555 583412181 /nfs/dbraw/zinc/41/21/81/583412181.db2.gz ODQABEZUEGWRPJ-LLVKDONJSA-N 1 1 185.311 1.901 10 30 ADEEMO C=CCC[N@H+](C)C[C@H]1C[C@@H](OC)C1 878490552 583412188 /nfs/dbraw/zinc/41/21/88/583412188.db2.gz ODIVENMRGULGCH-PHIMTYICSA-N 1 1 183.295 1.919 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)Cc1cc[nH]c(=O)c1 878517354 583412211 /nfs/dbraw/zinc/41/22/11/583412211.db2.gz QNLROQCUOWKVDK-VIFPVBQESA-N 1 1 190.246 1.241 10 30 ADEEMO C#C[C@@H](C)[N@H+](C)CC[C@@H](O)C(C)C 878516581 583412218 /nfs/dbraw/zinc/41/22/18/583412218.db2.gz HCQSRHOLXZBXQS-GHMZBOCLSA-N 1 1 183.295 1.347 10 30 ADEEMO C#CC[N@H+](C)C[C@@H]1CCCC(C)(C)O1 878502111 583412232 /nfs/dbraw/zinc/41/22/32/583412232.db2.gz WFGJNBZGCSQBHV-NSHDSACASA-N 1 1 195.306 1.899 10 30 ADEEMO C#CC[N@H+](C)C[C@@H]1CC2(CCC2)CO1 878501960 583412240 /nfs/dbraw/zinc/41/22/40/583412240.db2.gz VSLKDDFORMFUEJ-NSHDSACASA-N 1 1 193.290 1.511 10 30 ADEEMO C#CC[N@H+](C)C[C@H]1CCC2(CCC2)O1 878500748 583412245 /nfs/dbraw/zinc/41/22/45/583412245.db2.gz IXORHKXWABIJEF-LLVKDONJSA-N 1 1 193.290 1.653 10 30 ADEEMO C#CC[N@H+](C)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 878501361 583412252 /nfs/dbraw/zinc/41/22/52/583412252.db2.gz OQDCAGWWPZUZSD-SRVKXCTJSA-N 1 1 193.290 1.509 10 30 ADEEMO C#CC[N@H+](C)C[C@H]1CC2(CCC2)CO1 878501959 583412302 /nfs/dbraw/zinc/41/23/02/583412302.db2.gz VSLKDDFORMFUEJ-LLVKDONJSA-N 1 1 193.290 1.511 10 30 ADEEMO C#CC[N@H+](C)C[C@H]1CCCC(C)(C)O1 878502110 583412307 /nfs/dbraw/zinc/41/23/07/583412307.db2.gz WFGJNBZGCSQBHV-LLVKDONJSA-N 1 1 195.306 1.899 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CC[C@](C)(C(N)=O)C1 878544626 583412527 /nfs/dbraw/zinc/41/25/27/583412527.db2.gz WCVQBCZGIAKXLL-KOLCDFICSA-N 1 1 196.294 1.148 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@](C)(C(N)=O)C1 878544628 583412543 /nfs/dbraw/zinc/41/25/43/583412543.db2.gz WCVQBCZGIAKXLL-ONGXEEELSA-N 1 1 196.294 1.148 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@@](C)(C(N)=O)C1 878544625 583412548 /nfs/dbraw/zinc/41/25/48/583412548.db2.gz WCVQBCZGIAKXLL-GXSJLCMTSA-N 1 1 196.294 1.148 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CC[C@@](C)(C(N)=O)C1 878544627 583412572 /nfs/dbraw/zinc/41/25/72/583412572.db2.gz WCVQBCZGIAKXLL-MWLCHTKSSA-N 1 1 196.294 1.148 10 30 ADEEMO C=CC[C@H](C(=O)OC)[N@H+]1C[C@H](C)[C@H]1C 878651888 583412719 /nfs/dbraw/zinc/41/27/19/583412719.db2.gz HYPKWGCDUWVBGL-IVZWLZJFSA-N 1 1 197.278 1.444 10 30 ADEEMO C=CC[C@H](C(=O)OC)[N@H+]1C[C@@H](C)[C@H]1C 878651891 583412773 /nfs/dbraw/zinc/41/27/73/583412773.db2.gz HYPKWGCDUWVBGL-OPRDCNLKSA-N 1 1 197.278 1.444 10 30 ADEEMO C=CC[C@H](C(=O)OC)[N@H+]1C[C@H](C)[C@@H]1C 878651890 583412781 /nfs/dbraw/zinc/41/27/81/583412781.db2.gz HYPKWGCDUWVBGL-LPEHRKFASA-N 1 1 197.278 1.444 10 30 ADEEMO C=CC[C@H](C(=O)OC)[N@H+]1C[C@@H](C)[C@@H]1C 878651889 583412790 /nfs/dbraw/zinc/41/27/90/583412790.db2.gz HYPKWGCDUWVBGL-KXUCPTDWSA-N 1 1 197.278 1.444 10 30 ADEEMO C=CC[C@H](C)[N@@H+]1C[C@@H]2[C@@H](CO)[C@@H]2C1 878640208 583412892 /nfs/dbraw/zinc/41/28/92/583412892.db2.gz AMNDCKYTOQCQSP-UKKRHICBSA-N 1 1 181.279 1.121 10 30 ADEEMO CC#CC[N@H+](C)C[C@H]1C[C@@H](OC)C1 878655826 583412926 /nfs/dbraw/zinc/41/29/26/583412926.db2.gz ASOPYHZHWQIOQA-PHIMTYICSA-N 1 1 181.279 1.367 10 30 ADEEMO C=CC[C@@H](C)[N@@H+]1C[C@@H]2[C@@H](CO)[C@@H]2C1 878640210 583412944 /nfs/dbraw/zinc/41/29/44/583412944.db2.gz AMNDCKYTOQCQSP-ZNSHCXBVSA-N 1 1 181.279 1.121 10 30 ADEEMO C#CCCCCC[N@H+](CC)[C@@H](C)CO 878654341 583413023 /nfs/dbraw/zinc/41/30/23/583413023.db2.gz RHJIWOXBBXYLCP-LBPRGKRZSA-N 1 1 197.322 1.883 10 30 ADEEMO C#CCCCCC[N@H+](CC)[C@H](C)CO 878639689 583413124 /nfs/dbraw/zinc/41/31/24/583413124.db2.gz RHJIWOXBBXYLCP-GFCCVEGCSA-N 1 1 197.322 1.883 10 30 ADEEMO C#C[C@H]1COCC[N@H+]1CC/C=C/C=C 878705094 583413332 /nfs/dbraw/zinc/41/33/32/583413332.db2.gz OQMCJCFEUCDADH-FYJFLYSWSA-N 1 1 191.274 1.453 10 30 ADEEMO C#C[C@H]1COCC[N@@H+]1CC/C=C/C=C 878705094 583413333 /nfs/dbraw/zinc/41/33/33/583413333.db2.gz OQMCJCFEUCDADH-FYJFLYSWSA-N 1 1 191.274 1.453 10 30 ADEEMO C#CCCCCC[N@@H+]1CC[C@@H](O)[C@H]1C 878684604 583413394 /nfs/dbraw/zinc/41/33/94/583413394.db2.gz KULBBYUVPHQTQU-VXGBXAGGSA-N 1 1 195.306 1.635 10 30 ADEEMO C#CC[N@H+](C[C@H]1C[C@@H]1C)C1CSC1 878909633 583415704 /nfs/dbraw/zinc/41/57/04/583415704.db2.gz WAECNUROGHKSGF-VHSXEESVSA-N 1 1 195.331 1.693 10 30 ADEEMO C#CCCCCC[N@H+](C)[C@H](C)CCO 878810946 583414396 /nfs/dbraw/zinc/41/43/96/583414396.db2.gz BKHWGUWPPSCDKV-GFCCVEGCSA-N 1 1 197.322 1.883 10 30 ADEEMO C#CCCCCC[N@H+](C)[C@@H](C)CCO 878810948 583414566 /nfs/dbraw/zinc/41/45/66/583414566.db2.gz BKHWGUWPPSCDKV-LBPRGKRZSA-N 1 1 197.322 1.883 10 30 ADEEMO C#CC[N@@H+](CC1CC1)C1CSC1 878912478 583415028 /nfs/dbraw/zinc/41/50/28/583415028.db2.gz FTMDZWHFXLSYJH-UHFFFAOYSA-N 1 1 181.304 1.447 10 30 ADEEMO C#CC[N@@H+](CCOCC)C1CSC1 878910105 583415048 /nfs/dbraw/zinc/41/50/48/583415048.db2.gz NVZOCDIQIQXSJS-UHFFFAOYSA-N 1 1 199.319 1.074 10 30 ADEEMO C#CC[N@H+](CCOCC)C1CSC1 878910105 583415050 /nfs/dbraw/zinc/41/50/50/583415050.db2.gz NVZOCDIQIQXSJS-UHFFFAOYSA-N 1 1 199.319 1.074 10 30 ADEEMO C#CC[N@H+](C[C@@H]1C[C@@H]1C)C1CSC1 878909632 583415098 /nfs/dbraw/zinc/41/50/98/583415098.db2.gz WAECNUROGHKSGF-UWVGGRQHSA-N 1 1 195.331 1.693 10 30 ADEEMO C#CC[N@H+](CC(C)C)C1CSC1 878914440 583415166 /nfs/dbraw/zinc/41/51/66/583415166.db2.gz VFDUZCUBBWKTOF-UHFFFAOYSA-N 1 1 183.320 1.693 10 30 ADEEMO C#CC[N@H+](C[C@H]1C[C@H]1C)C1CSC1 878909631 583415210 /nfs/dbraw/zinc/41/52/10/583415210.db2.gz WAECNUROGHKSGF-NXEZZACHSA-N 1 1 195.331 1.693 10 30 ADEEMO C#CC[N@H+](CCC=C)C1CSC1 878910205 583415218 /nfs/dbraw/zinc/41/52/18/583415218.db2.gz IMIGBIODQFSBDV-UHFFFAOYSA-N 1 1 181.304 1.613 10 30 ADEEMO C=CC[C@H](C)[N@@H+](C)Cc1cnc[nH]1 878885144 583415233 /nfs/dbraw/zinc/41/52/33/583415233.db2.gz XKZLHEFADZXVCK-VIFPVBQESA-N 1 1 179.267 1.806 10 30 ADEEMO C=CC[C@H](C)[N@H+](C)Cc1c[nH]cn1 878885144 583415237 /nfs/dbraw/zinc/41/52/37/583415237.db2.gz XKZLHEFADZXVCK-VIFPVBQESA-N 1 1 179.267 1.806 10 30 ADEEMO C=CC[C@H](C)[N@@H+](C)Cc1c[nH]cn1 878885144 583415239 /nfs/dbraw/zinc/41/52/39/583415239.db2.gz XKZLHEFADZXVCK-VIFPVBQESA-N 1 1 179.267 1.806 10 30 ADEEMO C=CC[C@H](C)[N@@H+](C)C[C@@H]1COCCO1 878935201 583415279 /nfs/dbraw/zinc/41/52/79/583415279.db2.gz FEIXWNFIILCBEQ-WDEREUQCSA-N 1 1 199.294 1.298 10 30 ADEEMO C#CCC[N@H+]1CCC[C@@H]1c1cn[nH]c1 878876634 583415306 /nfs/dbraw/zinc/41/53/06/583415306.db2.gz QAPPKGYUXCYDPU-LLVKDONJSA-N 1 1 189.262 1.570 10 30 ADEEMO C#CC[N@H+]1CCC[C@@H]1c1cn[nH]c1 878879837 583415330 /nfs/dbraw/zinc/41/53/30/583415330.db2.gz XRAKSQRXVQUIBB-SNVBAGLBSA-N 1 1 175.235 1.180 10 30 ADEEMO C#CC[N@@H+](CC#CC)C1CSC1 878909366 583415347 /nfs/dbraw/zinc/41/53/47/583415347.db2.gz AQJSBFPDKSDWEX-UHFFFAOYSA-N 1 1 179.288 1.060 10 30 ADEEMO C#CC[N@H+](CC#CC)C1CSC1 878909366 583415348 /nfs/dbraw/zinc/41/53/48/583415348.db2.gz AQJSBFPDKSDWEX-UHFFFAOYSA-N 1 1 179.288 1.060 10 30 ADEEMO C#CC[N@@H+](CC1CCC1)C1CSC1 878909477 583415350 /nfs/dbraw/zinc/41/53/50/583415350.db2.gz TVNRIRHGLRCCEM-UHFFFAOYSA-N 1 1 195.331 1.837 10 30 ADEEMO C#CCCC[N@@H+](CC#C)C1CSC1 878910117 583415356 /nfs/dbraw/zinc/41/53/56/583415356.db2.gz HNNVLYWBSUGYCS-UHFFFAOYSA-N 1 1 193.315 1.450 10 30 ADEEMO C=CC[C@@H](C)[N@@H+](C)C[C@H]1COCCO1 878935199 583415361 /nfs/dbraw/zinc/41/53/61/583415361.db2.gz FEIXWNFIILCBEQ-MNOVXSKESA-N 1 1 199.294 1.298 10 30 ADEEMO C=CC[C@@H](C)[N@H+](CCF)CCOC 878919883 583415373 /nfs/dbraw/zinc/41/53/73/583415373.db2.gz QASPEFOYXVSJBF-SNVBAGLBSA-N 1 1 189.274 1.869 10 30 ADEEMO C#CC[N@H+]1CCC[C@H]1c1cn[nH]c1 878879836 583415392 /nfs/dbraw/zinc/41/53/92/583415392.db2.gz XRAKSQRXVQUIBB-JTQLQIEISA-N 1 1 175.235 1.180 10 30 ADEEMO C=CC[C@H](C)[N@@H+](C)C[C@H]1COCCO1 878935200 583415402 /nfs/dbraw/zinc/41/54/02/583415402.db2.gz FEIXWNFIILCBEQ-QWRGUYRKSA-N 1 1 199.294 1.298 10 30 ADEEMO C#CC[N@H+](C[C@@H]1C[C@H]1C)C1CSC1 878909634 583415405 /nfs/dbraw/zinc/41/54/05/583415405.db2.gz WAECNUROGHKSGF-ZJUUUORDSA-N 1 1 195.331 1.693 10 30 ADEEMO C=CC[C@@H](C)[N@H+](C)Cc1nnc(C)o1 878919668 583415413 /nfs/dbraw/zinc/41/54/13/583415413.db2.gz AFRVKSPSEXWBNG-MRVPVSSYSA-N 1 1 195.266 1.774 10 30 ADEEMO C=CC[C@@H](C)[N@@H+](C)Cc1nnc(C)o1 878919668 583415415 /nfs/dbraw/zinc/41/54/15/583415415.db2.gz AFRVKSPSEXWBNG-MRVPVSSYSA-N 1 1 195.266 1.774 10 30 ADEEMO C=CC[C@H](C)[N@H+](C)Cc1nnc(C)o1 878919670 583415421 /nfs/dbraw/zinc/41/54/21/583415421.db2.gz AFRVKSPSEXWBNG-QMMMGPOBSA-N 1 1 195.266 1.774 10 30 ADEEMO C=CC[C@H](C)[N@@H+](C)Cc1nnc(C)o1 878919670 583415422 /nfs/dbraw/zinc/41/54/22/583415422.db2.gz AFRVKSPSEXWBNG-QMMMGPOBSA-N 1 1 195.266 1.774 10 30 ADEEMO C#CC[N@H+](CCCC)C1CSC1 878913694 583415439 /nfs/dbraw/zinc/41/54/39/583415439.db2.gz DEYUSHVLLGMKAW-UHFFFAOYSA-N 1 1 183.320 1.837 10 30 ADEEMO C#CC[N@H+](CCCC#N)C1CSC1 878910892 583415485 /nfs/dbraw/zinc/41/54/85/583415485.db2.gz YUWYJPLRBMFIOY-UHFFFAOYSA-N 1 1 194.303 1.341 10 30 ADEEMO C#CC[N@@H+](CCCC#N)C1CSC1 878910892 583415487 /nfs/dbraw/zinc/41/54/87/583415487.db2.gz YUWYJPLRBMFIOY-UHFFFAOYSA-N 1 1 194.303 1.341 10 30 ADEEMO C#CCCN1C[C@H](C)[N@H+](CC)[C@H](C)C1 878836889 583415518 /nfs/dbraw/zinc/41/55/18/583415518.db2.gz NKVOKQOERSAHTL-TXEJJXNPSA-N 1 1 194.322 1.424 10 30 ADEEMO C#CCC[N@H+]1C[C@H](C)N(CC)[C@H](C)C1 878836889 583415520 /nfs/dbraw/zinc/41/55/20/583415520.db2.gz NKVOKQOERSAHTL-TXEJJXNPSA-N 1 1 194.322 1.424 10 30 ADEEMO C#CCC[N@@H+]1C[C@H](C)N(CC)[C@H](C)C1 878836889 583415522 /nfs/dbraw/zinc/41/55/22/583415522.db2.gz NKVOKQOERSAHTL-TXEJJXNPSA-N 1 1 194.322 1.424 10 30 ADEEMO C#CCC[N@@H+](CC#C)C1CSC1 878909593 583415530 /nfs/dbraw/zinc/41/55/30/583415530.db2.gz GOHHKWYTROPAAD-UHFFFAOYSA-N 1 1 179.288 1.060 10 30 ADEEMO C#CC[N@H+](CC)C1CSC1 878914163 583415537 /nfs/dbraw/zinc/41/55/37/583415537.db2.gz OMIJMHHYFFNBFA-UHFFFAOYSA-N 1 1 155.266 1.057 10 30 ADEEMO C#CCC[N@H+]1CCC[C@H]1c1cn[nH]c1 878876635 583415543 /nfs/dbraw/zinc/41/55/43/583415543.db2.gz QAPPKGYUXCYDPU-NSHDSACASA-N 1 1 189.262 1.570 10 30 ADEEMO C#CC[N@H+](CC(=C)C)C1CSC1 878913620 583415559 /nfs/dbraw/zinc/41/55/59/583415559.db2.gz BYVGANMCRNVWTD-UHFFFAOYSA-N 1 1 181.304 1.613 10 30 ADEEMO C#CC[N@H+](CCCOC)C1CSC1 878910095 583415583 /nfs/dbraw/zinc/41/55/83/583415583.db2.gz NLJNFDQPPLJJBV-UHFFFAOYSA-N 1 1 199.319 1.074 10 30 ADEEMO C#CC[N@@H+](CC=C)C1CSC1 878914645 583415590 /nfs/dbraw/zinc/41/55/90/583415590.db2.gz ZBBMWISUYWAQSA-UHFFFAOYSA-N 1 1 167.277 1.223 10 30 ADEEMO C#CC[N@H+](CC=C)C1CSC1 878914645 583415592 /nfs/dbraw/zinc/41/55/92/583415592.db2.gz ZBBMWISUYWAQSA-UHFFFAOYSA-N 1 1 167.277 1.223 10 30 ADEEMO C=CC[C@@H](C)[N@@H+](C)Cc1cnc[nH]1 878885143 583415628 /nfs/dbraw/zinc/41/56/28/583415628.db2.gz XKZLHEFADZXVCK-SECBINFHSA-N 1 1 179.267 1.806 10 30 ADEEMO C=CC[C@@H](C)[N@H+](C)Cc1c[nH]cn1 878885143 583415629 /nfs/dbraw/zinc/41/56/29/583415629.db2.gz XKZLHEFADZXVCK-SECBINFHSA-N 1 1 179.267 1.806 10 30 ADEEMO C=CC[C@@H](C)[N@@H+](C)Cc1c[nH]cn1 878885143 583415632 /nfs/dbraw/zinc/41/56/32/583415632.db2.gz XKZLHEFADZXVCK-SECBINFHSA-N 1 1 179.267 1.806 10 30 ADEEMO C#CC[N@H+](C[C@H](C)OC)C1CSC1 878910287 583415642 /nfs/dbraw/zinc/41/56/42/583415642.db2.gz RHNRPBKUZWGOGO-VIFPVBQESA-N 1 1 199.319 1.072 10 30 ADEEMO C#CC[N@H+](CCC)C1CSC1 878914073 583415660 /nfs/dbraw/zinc/41/56/60/583415660.db2.gz LRQCDUUIGJPCRI-UHFFFAOYSA-N 1 1 169.293 1.447 10 30 ADEEMO C#CCN1C[C@H](C)[N@H+](CC)[C@H](C)C1 878838243 583415672 /nfs/dbraw/zinc/41/56/72/583415672.db2.gz NALVEGNOWXYRSX-PHIMTYICSA-N 1 1 180.295 1.034 10 30 ADEEMO C#CCN1CC[N@H+](C)[C@H](C(C)(C)C)C1 878842809 583415686 /nfs/dbraw/zinc/41/56/86/583415686.db2.gz WVZDORODVVIMFP-NSHDSACASA-N 1 1 194.322 1.282 10 30 ADEEMO C#CC[N@H+](C[C@@H](C)OC)C1CSC1 878910286 583415715 /nfs/dbraw/zinc/41/57/15/583415715.db2.gz RHNRPBKUZWGOGO-SECBINFHSA-N 1 1 199.319 1.072 10 30 ADEEMO C=CC[C@@H](C)[N@H+](C)Cc1nc(C)no1 878848184 583415814 /nfs/dbraw/zinc/41/58/14/583415814.db2.gz JPGCTTMEWAFHCO-MRVPVSSYSA-N 1 1 195.266 1.774 10 30 ADEEMO C=CC[C@@H](C)[N@@H+](C)Cc1nc(C)no1 878848184 583415816 /nfs/dbraw/zinc/41/58/16/583415816.db2.gz JPGCTTMEWAFHCO-MRVPVSSYSA-N 1 1 195.266 1.774 10 30 ADEEMO C=CC[C@H](C)[N@H+](C)Cc1nc(C)no1 878848185 583415833 /nfs/dbraw/zinc/41/58/33/583415833.db2.gz JPGCTTMEWAFHCO-QMMMGPOBSA-N 1 1 195.266 1.774 10 30 ADEEMO C=CC[C@H](C)[N@@H+](C)Cc1nc(C)no1 878848185 583415836 /nfs/dbraw/zinc/41/58/36/583415836.db2.gz JPGCTTMEWAFHCO-QMMMGPOBSA-N 1 1 195.266 1.774 10 30 ADEEMO C=CC[C@H](C)[N@@H+]1CCC(=O)N(C)CC1 878934165 583415867 /nfs/dbraw/zinc/41/58/67/583415867.db2.gz VZFFDKPFQWIQOP-JTQLQIEISA-N 1 1 196.294 1.115 10 30 ADEEMO C#CC[N@H+](CCCF)C1CSC1 878912740 583415874 /nfs/dbraw/zinc/41/58/74/583415874.db2.gz MZSFERBOHNHSBP-UHFFFAOYSA-N 1 1 187.283 1.397 10 30 ADEEMO C#CC[N@@H+](CCC1CC1)C1CSC1 878909660 583415883 /nfs/dbraw/zinc/41/58/83/583415883.db2.gz HLVRKEZCXHIJSC-UHFFFAOYSA-N 1 1 195.331 1.837 10 30 ADEEMO C#CCN1CC[N@H+](C)[C@@H](C(C)(C)C)C1 878842808 583415928 /nfs/dbraw/zinc/41/59/28/583415928.db2.gz WVZDORODVVIMFP-LLVKDONJSA-N 1 1 194.322 1.282 10 30 ADEEMO C=CC[C@@H](C)[N@@H+]1CCC(=O)N(C)CC1 878934166 583415941 /nfs/dbraw/zinc/41/59/41/583415941.db2.gz VZFFDKPFQWIQOP-SNVBAGLBSA-N 1 1 196.294 1.115 10 30 ADEEMO C=CC[C@@H](C)[N@@H+](C)C[C@@H]1COCCO1 878935198 583415977 /nfs/dbraw/zinc/41/59/77/583415977.db2.gz FEIXWNFIILCBEQ-GHMZBOCLSA-N 1 1 199.294 1.298 10 30 ADEEMO C=CC[C@H](C)[N@H+](CCF)CCOC 878919882 583416010 /nfs/dbraw/zinc/41/60/10/583416010.db2.gz QASPEFOYXVSJBF-JTQLQIEISA-N 1 1 189.274 1.869 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@@]2(O)C[C@H]2C1 878948897 583416181 /nfs/dbraw/zinc/41/61/81/583416181.db2.gz GGEJKIPWQIKRAM-GARJFASQSA-N 1 1 181.279 1.408 10 30 ADEEMO C=CC[C@H](C)[N@H+]1C[C@H]2COC[C@]2(C)C1 878950025 583416226 /nfs/dbraw/zinc/41/62/26/583416226.db2.gz RNHUSXFCMOOEOT-SRVKXCTJSA-N 1 1 195.306 1.919 10 30 ADEEMO C=CC[C@@H](C)[N@@H+]1CCO[C@H](OC)C1 878969305 583416269 /nfs/dbraw/zinc/41/62/69/583416269.db2.gz QUCIZQORESHQRD-ZJUUUORDSA-N 1 1 185.267 1.256 10 30 ADEEMO C=CC[C@@H](C)[N@@H+]1CCO[C@@H](OC)C1 878969302 583416304 /nfs/dbraw/zinc/41/63/04/583416304.db2.gz QUCIZQORESHQRD-NXEZZACHSA-N 1 1 185.267 1.256 10 30 ADEEMO C=CC[C@H](C)[N@@H+]1CCO[C@H](OC)C1 878969303 583416310 /nfs/dbraw/zinc/41/63/10/583416310.db2.gz QUCIZQORESHQRD-UWVGGRQHSA-N 1 1 185.267 1.256 10 30 ADEEMO C=CC[C@H](C)[N@H+]1C[C@H]2COC[C@@]2(C)C1 878950024 583416376 /nfs/dbraw/zinc/41/63/76/583416376.db2.gz RNHUSXFCMOOEOT-SDDRHHMPSA-N 1 1 195.306 1.919 10 30 ADEEMO C=CC[C@H](C)[N@@H+](C)Cc1cn(C)nn1 878950591 583416387 /nfs/dbraw/zinc/41/63/87/583416387.db2.gz WEMPDPDFYCWEMD-VIFPVBQESA-N 1 1 194.282 1.212 10 30 ADEEMO C=CC[C@H](C)[N@H+]1C[C@@H]2COC[C@]2(C)C1 878950026 583416398 /nfs/dbraw/zinc/41/63/98/583416398.db2.gz RNHUSXFCMOOEOT-TUAOUCFPSA-N 1 1 195.306 1.919 10 30 ADEEMO C=CC[C@H](C)[N@@H+]1CCO[C@@H](OC)C1 878969304 583416402 /nfs/dbraw/zinc/41/64/02/583416402.db2.gz QUCIZQORESHQRD-VHSXEESVSA-N 1 1 185.267 1.256 10 30 ADEEMO C=CC[C@H](C)[N@H+]1C[C@@H]2COC[C@@]2(C)C1 878950022 583416464 /nfs/dbraw/zinc/41/64/64/583416464.db2.gz RNHUSXFCMOOEOT-QJPTWQEYSA-N 1 1 195.306 1.919 10 30 ADEEMO C=CC[C@@H](C)[N@@H+](C)Cc1cn(C)nn1 878950588 583416490 /nfs/dbraw/zinc/41/64/90/583416490.db2.gz WEMPDPDFYCWEMD-SECBINFHSA-N 1 1 194.282 1.212 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CC[C@@]2(O)C[C@H]2C1 878948898 583416552 /nfs/dbraw/zinc/41/65/52/583416552.db2.gz GGEJKIPWQIKRAM-OUAUKWLOSA-N 1 1 181.279 1.408 10 30 ADEEMO C=CC[C@@H](C)[N@@H+]1C[C@H]2C(=O)OC[C@H]2C1 879066638 583416807 /nfs/dbraw/zinc/41/68/07/583416807.db2.gz QGAZYSZVUIKDJQ-OPRDCNLKSA-N 1 1 195.262 1.056 10 30 ADEEMO C#CCCC[N@@H+]1CC[C@@H](C)C[C@H]1CO 879148376 583416963 /nfs/dbraw/zinc/41/69/63/583416963.db2.gz PQJUZAWAPRMKEV-NEPJUHHUSA-N 1 1 195.306 1.493 10 30 ADEEMO C=CC[C@H](C)[N@@H+]1C[C@H]2C(=O)OC[C@H]2C1 879066637 583417506 /nfs/dbraw/zinc/41/75/06/583417506.db2.gz QGAZYSZVUIKDJQ-IVZWLZJFSA-N 1 1 195.262 1.056 10 30 ADEEMO C#CCC[N@@H+]1CC[C@@H](C)C[C@H]1CO 879148539 583417630 /nfs/dbraw/zinc/41/76/30/583417630.db2.gz TYDRRWXFBXGMIS-MNOVXSKESA-N 1 1 181.279 1.103 10 30 ADEEMO C=CC[N@H+]1C[C@H](OC)CC[C@@H]1C 879319762 583417714 /nfs/dbraw/zinc/41/77/14/583417714.db2.gz XDTTWVMGMDNDIU-VHSXEESVSA-N 1 1 169.268 1.672 10 30 ADEEMO CC#CCC[N@H+]1C[C@@H](OC)CC[C@H]1C 879328334 583417755 /nfs/dbraw/zinc/41/77/55/583417755.db2.gz ZYKJSWADJUEWKW-NEPJUHHUSA-N 1 1 195.306 1.899 10 30 ADEEMO C#CCC[N@H+](C)[C@H]1CCC[C@@H]1C#N 879309589 583417850 /nfs/dbraw/zinc/41/78/50/583417850.db2.gz HNFMDRKBABTECS-MNOVXSKESA-N 1 1 176.263 1.634 10 30 ADEEMO CC#CCC[N@H+]1C[C@@H](OC)CC[C@@H]1C 879328338 583417880 /nfs/dbraw/zinc/41/78/80/583417880.db2.gz ZYKJSWADJUEWKW-RYUDHWBXSA-N 1 1 195.306 1.899 10 30 ADEEMO CC#CC[N@H+]1C[C@H](OC)CC[C@H]1C 879321184 583417899 /nfs/dbraw/zinc/41/78/99/583417899.db2.gz OLBYWCSATHLNHA-GHMZBOCLSA-N 1 1 181.279 1.509 10 30 ADEEMO C#CCC[N@H+](C)[C@@H]1CCC[C@H]1C#N 879309591 583417967 /nfs/dbraw/zinc/41/79/67/583417967.db2.gz HNFMDRKBABTECS-WDEREUQCSA-N 1 1 176.263 1.634 10 30 ADEEMO C=CC[N@H+]1C[C@H](OC)CC[C@H]1C 879319760 583418056 /nfs/dbraw/zinc/41/80/56/583418056.db2.gz XDTTWVMGMDNDIU-NXEZZACHSA-N 1 1 169.268 1.672 10 30 ADEEMO CC#CCC[N@H+]1C[C@H](OC)CC[C@H]1C 879328339 583418124 /nfs/dbraw/zinc/41/81/24/583418124.db2.gz ZYKJSWADJUEWKW-VXGBXAGGSA-N 1 1 195.306 1.899 10 30 ADEEMO CC(=O)CC[N@@H+](C)[C@H]1CCC[C@@H]1C#N 879308305 583418135 /nfs/dbraw/zinc/41/81/35/583418135.db2.gz NUCXKRFYTRFYSP-MNOVXSKESA-N 1 1 194.278 1.590 10 30 ADEEMO CC(=O)CC[N@H+](C)[C@H]1CCC[C@@H]1C#N 879308305 583418136 /nfs/dbraw/zinc/41/81/36/583418136.db2.gz NUCXKRFYTRFYSP-MNOVXSKESA-N 1 1 194.278 1.590 10 30 ADEEMO CC#CC[N@H+]1C[C@@H](OC)CC[C@@H]1C 879321187 583418238 /nfs/dbraw/zinc/41/82/38/583418238.db2.gz OLBYWCSATHLNHA-QWRGUYRKSA-N 1 1 181.279 1.509 10 30 ADEEMO C=CC[N@H+]1C[C@@H](OC)CC[C@H]1C 879319763 583418350 /nfs/dbraw/zinc/41/83/50/583418350.db2.gz XDTTWVMGMDNDIU-ZJUUUORDSA-N 1 1 169.268 1.672 10 30 ADEEMO C#CCC[N@H+](C)[C@H]1CCC[C@H]1C#N 879309590 583418363 /nfs/dbraw/zinc/41/83/63/583418363.db2.gz HNFMDRKBABTECS-QWRGUYRKSA-N 1 1 176.263 1.634 10 30 ADEEMO C=CC[N@H+]1C[C@@H](OC)CC[C@@H]1C 879319761 583418399 /nfs/dbraw/zinc/41/83/99/583418399.db2.gz XDTTWVMGMDNDIU-UWVGGRQHSA-N 1 1 169.268 1.672 10 30 ADEEMO CC(=O)CC[N@@H+](C)[C@@H]1CCC[C@H]1C#N 879308307 583418443 /nfs/dbraw/zinc/41/84/43/583418443.db2.gz NUCXKRFYTRFYSP-WDEREUQCSA-N 1 1 194.278 1.590 10 30 ADEEMO CC(=O)CC[N@H+](C)[C@@H]1CCC[C@H]1C#N 879308307 583418445 /nfs/dbraw/zinc/41/84/45/583418445.db2.gz NUCXKRFYTRFYSP-WDEREUQCSA-N 1 1 194.278 1.590 10 30 ADEEMO CC#CC[N@H+]1C[C@H](OC)CC[C@@H]1C 879321189 583418500 /nfs/dbraw/zinc/41/85/00/583418500.db2.gz OLBYWCSATHLNHA-WDEREUQCSA-N 1 1 181.279 1.509 10 30 ADEEMO CC#CCC[N@H+]1C[C@H](OC)CC[C@@H]1C 879328336 583418508 /nfs/dbraw/zinc/41/85/08/583418508.db2.gz ZYKJSWADJUEWKW-NWDGAFQWSA-N 1 1 195.306 1.899 10 30 ADEEMO C#CCC[N@H+](C)[C@@H]1CCC[C@@H]1C#N 879309588 583418642 /nfs/dbraw/zinc/41/86/42/583418642.db2.gz HNFMDRKBABTECS-GHMZBOCLSA-N 1 1 176.263 1.634 10 30 ADEEMO CC(=O)CC[N@@H+](C)[C@@H]1CCC[C@@H]1C#N 879308304 583418666 /nfs/dbraw/zinc/41/86/66/583418666.db2.gz NUCXKRFYTRFYSP-GHMZBOCLSA-N 1 1 194.278 1.590 10 30 ADEEMO CC(=O)CC[N@H+](C)[C@@H]1CCC[C@@H]1C#N 879308304 583418668 /nfs/dbraw/zinc/41/86/68/583418668.db2.gz NUCXKRFYTRFYSP-GHMZBOCLSA-N 1 1 194.278 1.590 10 30 ADEEMO CC(=O)CC[N@@H+](C)[C@H]1CCC[C@H]1C#N 879308306 583418759 /nfs/dbraw/zinc/41/87/59/583418759.db2.gz NUCXKRFYTRFYSP-QWRGUYRKSA-N 1 1 194.278 1.590 10 30 ADEEMO CC(=O)CC[N@H+](C)[C@H]1CCC[C@H]1C#N 879308306 583418762 /nfs/dbraw/zinc/41/87/62/583418762.db2.gz NUCXKRFYTRFYSP-QWRGUYRKSA-N 1 1 194.278 1.590 10 30 ADEEMO CC#CC[N@H+]1C[C@@H](OC)CC[C@H]1C 879321185 583418782 /nfs/dbraw/zinc/41/87/82/583418782.db2.gz OLBYWCSATHLNHA-MNOVXSKESA-N 1 1 181.279 1.509 10 30 ADEEMO C#CC[N@@H+](C)CCc1cccc(C#N)c1 879434943 583419380 /nfs/dbraw/zinc/41/93/80/583419380.db2.gz QYIKBDPYEOJBNL-UHFFFAOYSA-N 1 1 198.269 1.666 10 30 ADEEMO C#CC[N@H+]1CC[C@H]2CSC[C@@H]2C1 879556069 583419550 /nfs/dbraw/zinc/41/95/50/583419550.db2.gz GZKIZGCNXZQPNE-UWVGGRQHSA-N 1 1 181.304 1.305 10 30 ADEEMO C#CC[N@H+]1CC[C@@H]2CSC[C@@H]2C1 879556071 583419680 /nfs/dbraw/zinc/41/96/80/583419680.db2.gz GZKIZGCNXZQPNE-ZJUUUORDSA-N 1 1 181.304 1.305 10 30 ADEEMO C#CC[N@H+]1CC[C@H]2CSC[C@H]2C1 879556070 583419817 /nfs/dbraw/zinc/41/98/17/583419817.db2.gz GZKIZGCNXZQPNE-VHSXEESVSA-N 1 1 181.304 1.305 10 30 ADEEMO C=C(C)CN1CC[C@H]2[C@H](CC[N@@H+]2C)C1 879568115 583419886 /nfs/dbraw/zinc/41/98/86/583419886.db2.gz YXIPNAMVFRMGTJ-NEPJUHHUSA-N 1 1 194.322 1.589 10 30 ADEEMO C=C(C)CN1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 879568118 583419947 /nfs/dbraw/zinc/41/99/47/583419947.db2.gz YXIPNAMVFRMGTJ-VXGBXAGGSA-N 1 1 194.322 1.589 10 30 ADEEMO C=CC[N@H+]1CC[C@H]2CSC[C@H]2C1 879556085 583419985 /nfs/dbraw/zinc/41/99/85/583419985.db2.gz HGGUWOWBNRJKMW-VHSXEESVSA-N 1 1 183.320 1.857 10 30 ADEEMO C=CC[N@H+]1CC[C@H]2CSC[C@@H]2C1 879556084 583420001 /nfs/dbraw/zinc/42/00/01/583420001.db2.gz HGGUWOWBNRJKMW-UWVGGRQHSA-N 1 1 183.320 1.857 10 30 ADEEMO C#CC[N@H+]1CC[C@@H]2CSC[C@H]2C1 879556068 583420005 /nfs/dbraw/zinc/42/00/05/583420005.db2.gz GZKIZGCNXZQPNE-NXEZZACHSA-N 1 1 181.304 1.305 10 30 ADEEMO C#CCC[N@H+]1CC[C@H]2CSC[C@@H]2C1 879562390 583420018 /nfs/dbraw/zinc/42/00/18/583420018.db2.gz FTPLHCCAMZDCLK-QWRGUYRKSA-N 1 1 195.331 1.695 10 30 ADEEMO CC#CC[N@H+]1CC[C@@H]2CSC[C@@H]2C1 879560371 583420047 /nfs/dbraw/zinc/42/00/47/583420047.db2.gz SNPQQPVDFKBWGA-MNOVXSKESA-N 1 1 195.331 1.695 10 30 ADEEMO C=CCN1CC[C@H]2[C@H](CC[N@@H+]2C)C1 879570042 583420056 /nfs/dbraw/zinc/42/00/56/583420056.db2.gz WLCSEEYCSRFMMY-MNOVXSKESA-N 1 1 180.295 1.198 10 30 ADEEMO C=C(C)CN1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 879568117 583420104 /nfs/dbraw/zinc/42/01/04/583420104.db2.gz YXIPNAMVFRMGTJ-RYUDHWBXSA-N 1 1 194.322 1.589 10 30 ADEEMO C#CCC[N@H+]1CC[C@H]2CSC[C@H]2C1 879562391 583420441 /nfs/dbraw/zinc/42/04/41/583420441.db2.gz FTPLHCCAMZDCLK-WDEREUQCSA-N 1 1 195.331 1.695 10 30 ADEEMO C=C(C)CN1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 879568116 583420124 /nfs/dbraw/zinc/42/01/24/583420124.db2.gz YXIPNAMVFRMGTJ-NWDGAFQWSA-N 1 1 194.322 1.589 10 30 ADEEMO C=CCN1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 879570041 583420145 /nfs/dbraw/zinc/42/01/45/583420145.db2.gz WLCSEEYCSRFMMY-GHMZBOCLSA-N 1 1 180.295 1.198 10 30 ADEEMO CC#CC[N@H+]1CC[C@H]2CSC[C@@H]2C1 879560372 583420181 /nfs/dbraw/zinc/42/01/81/583420181.db2.gz SNPQQPVDFKBWGA-QWRGUYRKSA-N 1 1 195.331 1.695 10 30 ADEEMO C=CCN1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 879570043 583420297 /nfs/dbraw/zinc/42/02/97/583420297.db2.gz WLCSEEYCSRFMMY-QWRGUYRKSA-N 1 1 180.295 1.198 10 30 ADEEMO C#CCC[N@H+]1CC[C@@H]2CSC[C@@H]2C1 879562389 583420385 /nfs/dbraw/zinc/42/03/85/583420385.db2.gz FTPLHCCAMZDCLK-MNOVXSKESA-N 1 1 195.331 1.695 10 30 ADEEMO C=CC[N@H+]1CC[C@@H]2CSC[C@H]2C1 879556083 583420412 /nfs/dbraw/zinc/42/04/12/583420412.db2.gz HGGUWOWBNRJKMW-NXEZZACHSA-N 1 1 183.320 1.857 10 30 ADEEMO C=CC[N@H+]1CC[C@@H]2CSC[C@@H]2C1 879556086 583420437 /nfs/dbraw/zinc/42/04/37/583420437.db2.gz HGGUWOWBNRJKMW-ZJUUUORDSA-N 1 1 183.320 1.857 10 30 ADEEMO CC#CC[N@H+]1CC[C@@H]2CSC[C@H]2C1 879560368 583420445 /nfs/dbraw/zinc/42/04/45/583420445.db2.gz SNPQQPVDFKBWGA-GHMZBOCLSA-N 1 1 195.331 1.695 10 30 ADEEMO C=CCN1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 879570044 583420448 /nfs/dbraw/zinc/42/04/48/583420448.db2.gz WLCSEEYCSRFMMY-WDEREUQCSA-N 1 1 180.295 1.198 10 30 ADEEMO CC#CC[N@H+]1CC[C@H]2CSC[C@H]2C1 879560374 583420497 /nfs/dbraw/zinc/42/04/97/583420497.db2.gz SNPQQPVDFKBWGA-WDEREUQCSA-N 1 1 195.331 1.695 10 30 ADEEMO C#CCC[N@H+]1CC[C@@H]2CSC[C@H]2C1 879562388 583420728 /nfs/dbraw/zinc/42/07/28/583420728.db2.gz FTPLHCCAMZDCLK-GHMZBOCLSA-N 1 1 195.331 1.695 10 30 ADEEMO C#CCCN1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 879578056 583421037 /nfs/dbraw/zinc/42/10/37/583421037.db2.gz PTSZUPKSTISYDD-VXGBXAGGSA-N 1 1 192.306 1.036 10 30 ADEEMO C#CCC[N@@H+]1C[C@@H](O)CC(C)(C)C1 879622927 583421060 /nfs/dbraw/zinc/42/10/60/583421060.db2.gz PQKOKSDROWKJCF-JTQLQIEISA-N 1 1 181.279 1.103 10 30 ADEEMO C=CCCN1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 879572301 583421097 /nfs/dbraw/zinc/42/10/97/583421097.db2.gz FZWCGYGUHSYORO-NWDGAFQWSA-N 1 1 194.322 1.589 10 30 ADEEMO C=CCCN1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 879572301 583421100 /nfs/dbraw/zinc/42/11/00/583421100.db2.gz FZWCGYGUHSYORO-NWDGAFQWSA-N 1 1 194.322 1.589 10 30 ADEEMO CC#CCN1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 879573218 583421234 /nfs/dbraw/zinc/42/12/34/583421234.db2.gz MTBJEYKXEQXIEI-NWDGAFQWSA-N 1 1 192.306 1.036 10 30 ADEEMO C=CC[N@@H+]1C[C@@H](O)CC(C)(C)C1 879618127 583421256 /nfs/dbraw/zinc/42/12/56/583421256.db2.gz VMOOOTSDPIBXHE-VIFPVBQESA-N 1 1 169.268 1.265 10 30 ADEEMO C=CC[N@@H+]1C[C@H](O)CC(C)(C)C1 879618125 583421286 /nfs/dbraw/zinc/42/12/86/583421286.db2.gz VMOOOTSDPIBXHE-SECBINFHSA-N 1 1 169.268 1.265 10 30 ADEEMO C#CCC[N@@H+]1C[C@H](O)CC(C)(C)C1 879622928 583421290 /nfs/dbraw/zinc/42/12/90/583421290.db2.gz PQKOKSDROWKJCF-SNVBAGLBSA-N 1 1 181.279 1.103 10 30 ADEEMO CC#CC[N@H+]1C[C@H](O)CC(C)(C)C1 879619375 583421320 /nfs/dbraw/zinc/42/13/20/583421320.db2.gz RXUNNYDYUNETAV-SNVBAGLBSA-N 1 1 181.279 1.103 10 30 ADEEMO C=CCCN1CC[C@H]2[C@H](CC[N@H+]2C)C1 879572300 583421356 /nfs/dbraw/zinc/42/13/56/583421356.db2.gz FZWCGYGUHSYORO-NEPJUHHUSA-N 1 1 194.322 1.589 10 30 ADEEMO C=CCCN1CC[C@H]2[C@H](CC[N@@H+]2C)C1 879572300 583421358 /nfs/dbraw/zinc/42/13/58/583421358.db2.gz FZWCGYGUHSYORO-NEPJUHHUSA-N 1 1 194.322 1.589 10 30 ADEEMO CC#CCN1CC[C@@H]2[C@H](CC[N@H+]2C)C1 879573220 583421411 /nfs/dbraw/zinc/42/14/11/583421411.db2.gz MTBJEYKXEQXIEI-VXGBXAGGSA-N 1 1 192.306 1.036 10 30 ADEEMO C#CCCN1CC[C@H]2[C@H](CC[N@@H+]2C)C1 879578053 583421454 /nfs/dbraw/zinc/42/14/54/583421454.db2.gz PTSZUPKSTISYDD-NEPJUHHUSA-N 1 1 192.306 1.036 10 30 ADEEMO C#CCCN1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 879578055 583421485 /nfs/dbraw/zinc/42/14/85/583421485.db2.gz PTSZUPKSTISYDD-RYUDHWBXSA-N 1 1 192.306 1.036 10 30 ADEEMO CC#CCN1CC[C@H]2[C@H](CC[N@H+]2C)C1 879573217 583421610 /nfs/dbraw/zinc/42/16/10/583421610.db2.gz MTBJEYKXEQXIEI-NEPJUHHUSA-N 1 1 192.306 1.036 10 30 ADEEMO C#CCCN1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 879578054 583421633 /nfs/dbraw/zinc/42/16/33/583421633.db2.gz PTSZUPKSTISYDD-NWDGAFQWSA-N 1 1 192.306 1.036 10 30 ADEEMO CC#CC[N@H+]1C[C@@H](O)CC(C)(C)C1 879619374 583421826 /nfs/dbraw/zinc/42/18/26/583421826.db2.gz RXUNNYDYUNETAV-JTQLQIEISA-N 1 1 181.279 1.103 10 30 ADEEMO C=CCCN1CC[C@H]2[C@@H](CC[N@H+]2C)C1 879572303 583421880 /nfs/dbraw/zinc/42/18/80/583421880.db2.gz FZWCGYGUHSYORO-RYUDHWBXSA-N 1 1 194.322 1.589 10 30 ADEEMO C=CCCN1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 879572303 583421882 /nfs/dbraw/zinc/42/18/82/583421882.db2.gz FZWCGYGUHSYORO-RYUDHWBXSA-N 1 1 194.322 1.589 10 30 ADEEMO C=CCC[N@@H+]1C[C@H](O)CC(C)(C)C1 879618815 583422041 /nfs/dbraw/zinc/42/20/41/583422041.db2.gz DDGMGCHVQZRQEZ-SNVBAGLBSA-N 1 1 183.295 1.655 10 30 ADEEMO C=C(C)C[N@H+]1C[C@@H](O)CC(C)(C)C1 879615808 583422048 /nfs/dbraw/zinc/42/20/48/583422048.db2.gz BFGGWQXZBMZYCW-JTQLQIEISA-N 1 1 183.295 1.655 10 30 ADEEMO C=C(C)C[N@H+]1C[C@H](O)CC(C)(C)C1 879615809 583422171 /nfs/dbraw/zinc/42/21/71/583422171.db2.gz BFGGWQXZBMZYCW-SNVBAGLBSA-N 1 1 183.295 1.655 10 30 ADEEMO CC#CCC[N@H+]1C[C@H](O)CC(C)(C)C1 879623733 583422214 /nfs/dbraw/zinc/42/22/14/583422214.db2.gz YWEWDQMGRVKKGD-LLVKDONJSA-N 1 1 195.306 1.493 10 30 ADEEMO C#CCCN1CC[N@@H+](C)[C@@H](C(C)C)C1 879601658 583422245 /nfs/dbraw/zinc/42/22/45/583422245.db2.gz QWNSBEMOIOKTAF-GFCCVEGCSA-N 1 1 194.322 1.282 10 30 ADEEMO C#CCC[N@@H+]1CCN(C)[C@@H](C(C)C)C1 879601658 583422247 /nfs/dbraw/zinc/42/22/47/583422247.db2.gz QWNSBEMOIOKTAF-GFCCVEGCSA-N 1 1 194.322 1.282 10 30 ADEEMO C#CCC[N@H+]1CCN(C)[C@@H](C(C)C)C1 879601658 583422249 /nfs/dbraw/zinc/42/22/49/583422249.db2.gz QWNSBEMOIOKTAF-GFCCVEGCSA-N 1 1 194.322 1.282 10 30 ADEEMO CC#CCN1CC[C@H]2[C@@H](CC[N@H+]2C)C1 879573219 583422253 /nfs/dbraw/zinc/42/22/53/583422253.db2.gz MTBJEYKXEQXIEI-RYUDHWBXSA-N 1 1 192.306 1.036 10 30 ADEEMO C=CCC[N@@H+]1C[C@@H](O)CC(C)(C)C1 879618814 583422281 /nfs/dbraw/zinc/42/22/81/583422281.db2.gz DDGMGCHVQZRQEZ-JTQLQIEISA-N 1 1 183.295 1.655 10 30 ADEEMO CC#CCC[N@H+]1C[C@@H](O)CC(C)(C)C1 879623734 583422471 /nfs/dbraw/zinc/42/24/71/583422471.db2.gz YWEWDQMGRVKKGD-NSHDSACASA-N 1 1 195.306 1.493 10 30 ADEEMO C=CCCN1CC[C@@H]2[C@H](CC[N@H+]2C)C1 879572304 583422490 /nfs/dbraw/zinc/42/24/90/583422490.db2.gz FZWCGYGUHSYORO-VXGBXAGGSA-N 1 1 194.322 1.589 10 30 ADEEMO C=CCCN1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 879572304 583422491 /nfs/dbraw/zinc/42/24/91/583422491.db2.gz FZWCGYGUHSYORO-VXGBXAGGSA-N 1 1 194.322 1.589 10 30 ADEEMO C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C 880129132 583425329 /nfs/dbraw/zinc/42/53/29/583425329.db2.gz DCPRIGZQHOYOTC-NWDGAFQWSA-N 1 1 194.322 1.731 10 30 ADEEMO C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C 880132244 583425385 /nfs/dbraw/zinc/42/53/85/583425385.db2.gz KYXZCZIKSCCHHG-NWDGAFQWSA-N 1 1 194.322 1.731 10 30 ADEEMO C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C 880129133 583425434 /nfs/dbraw/zinc/42/54/34/583425434.db2.gz DCPRIGZQHOYOTC-RYUDHWBXSA-N 1 1 194.322 1.731 10 30 ADEEMO C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C 880132245 583425455 /nfs/dbraw/zinc/42/54/55/583425455.db2.gz KYXZCZIKSCCHHG-RYUDHWBXSA-N 1 1 194.322 1.731 10 30 ADEEMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C 880132243 583425477 /nfs/dbraw/zinc/42/54/77/583425477.db2.gz KYXZCZIKSCCHHG-NEPJUHHUSA-N 1 1 194.322 1.731 10 30 ADEEMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C 880129657 583425614 /nfs/dbraw/zinc/42/56/14/583425614.db2.gz LANQXMLYMFDFOL-MNOVXSKESA-N 1 1 180.295 1.341 10 30 ADEEMO C=CCN1CC[C@@H]2[C@@H]1CCC[N@H+]2C 880129657 583425616 /nfs/dbraw/zinc/42/56/16/583425616.db2.gz LANQXMLYMFDFOL-MNOVXSKESA-N 1 1 180.295 1.341 10 30 ADEEMO C=CCN1CC[C@@H]2[C@@H]1CCC[N@@H+]2C 880129657 583425617 /nfs/dbraw/zinc/42/56/17/583425617.db2.gz LANQXMLYMFDFOL-MNOVXSKESA-N 1 1 180.295 1.341 10 30 ADEEMO CC#CCN1CC[C@@H]2[C@@H]1CCC[N@H+]2C 880130022 583425643 /nfs/dbraw/zinc/42/56/43/583425643.db2.gz BSBVZRVXOXHBOL-NEPJUHHUSA-N 1 1 192.306 1.178 10 30 ADEEMO CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C 880130022 583425644 /nfs/dbraw/zinc/42/56/44/583425644.db2.gz BSBVZRVXOXHBOL-NEPJUHHUSA-N 1 1 192.306 1.178 10 30 ADEEMO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C 880130022 583425647 /nfs/dbraw/zinc/42/56/47/583425647.db2.gz BSBVZRVXOXHBOL-NEPJUHHUSA-N 1 1 192.306 1.178 10 30 ADEEMO CC#CC[N@H+](C)C1(COC)CCC1 880185765 583425721 /nfs/dbraw/zinc/42/57/21/583425721.db2.gz BTZOILYIJOYBOC-UHFFFAOYSA-N 1 1 181.279 1.511 10 30 ADEEMO CC#CCN1CC[C@H]2[C@H]1CCC[N@H+]2C 880130023 583425738 /nfs/dbraw/zinc/42/57/38/583425738.db2.gz BSBVZRVXOXHBOL-NWDGAFQWSA-N 1 1 192.306 1.178 10 30 ADEEMO CC#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C 880130023 583425741 /nfs/dbraw/zinc/42/57/41/583425741.db2.gz BSBVZRVXOXHBOL-NWDGAFQWSA-N 1 1 192.306 1.178 10 30 ADEEMO CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C 880130023 583425743 /nfs/dbraw/zinc/42/57/43/583425743.db2.gz BSBVZRVXOXHBOL-NWDGAFQWSA-N 1 1 192.306 1.178 10 30 ADEEMO C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C 880129134 583425863 /nfs/dbraw/zinc/42/58/63/583425863.db2.gz DCPRIGZQHOYOTC-VXGBXAGGSA-N 1 1 194.322 1.731 10 30 ADEEMO CC#CCN1CC[C@H]2[C@@H]1CCC[N@H+]2C 880130025 583425922 /nfs/dbraw/zinc/42/59/22/583425922.db2.gz BSBVZRVXOXHBOL-RYUDHWBXSA-N 1 1 192.306 1.178 10 30 ADEEMO CC#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C 880130025 583425925 /nfs/dbraw/zinc/42/59/25/583425925.db2.gz BSBVZRVXOXHBOL-RYUDHWBXSA-N 1 1 192.306 1.178 10 30 ADEEMO CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C 880130025 583425927 /nfs/dbraw/zinc/42/59/27/583425927.db2.gz BSBVZRVXOXHBOL-RYUDHWBXSA-N 1 1 192.306 1.178 10 30 ADEEMO CC#CCN1CC[C@@H]2[C@H]1CCC[N@H+]2C 880130026 583426083 /nfs/dbraw/zinc/42/60/83/583426083.db2.gz BSBVZRVXOXHBOL-VXGBXAGGSA-N 1 1 192.306 1.178 10 30 ADEEMO CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C 880130026 583426085 /nfs/dbraw/zinc/42/60/85/583426085.db2.gz BSBVZRVXOXHBOL-VXGBXAGGSA-N 1 1 192.306 1.178 10 30 ADEEMO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C 880130026 583426087 /nfs/dbraw/zinc/42/60/87/583426087.db2.gz BSBVZRVXOXHBOL-VXGBXAGGSA-N 1 1 192.306 1.178 10 30 ADEEMO C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C 880129659 583426152 /nfs/dbraw/zinc/42/61/52/583426152.db2.gz LANQXMLYMFDFOL-WDEREUQCSA-N 1 1 180.295 1.341 10 30 ADEEMO C=CCN1CC[C@H]2[C@H]1CCC[N@H+]2C 880129659 583426154 /nfs/dbraw/zinc/42/61/54/583426154.db2.gz LANQXMLYMFDFOL-WDEREUQCSA-N 1 1 180.295 1.341 10 30 ADEEMO C=CCN1CC[C@H]2[C@H]1CCC[N@@H+]2C 880129659 583426157 /nfs/dbraw/zinc/42/61/57/583426157.db2.gz LANQXMLYMFDFOL-WDEREUQCSA-N 1 1 180.295 1.341 10 30 ADEEMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C 880129656 583426177 /nfs/dbraw/zinc/42/61/77/583426177.db2.gz LANQXMLYMFDFOL-GHMZBOCLSA-N 1 1 180.295 1.341 10 30 ADEEMO C=CCN1CC[C@@H]2[C@H]1CCC[N@H+]2C 880129656 583426179 /nfs/dbraw/zinc/42/61/79/583426179.db2.gz LANQXMLYMFDFOL-GHMZBOCLSA-N 1 1 180.295 1.341 10 30 ADEEMO C=CCN1CC[C@@H]2[C@H]1CCC[N@@H+]2C 880129656 583426181 /nfs/dbraw/zinc/42/61/81/583426181.db2.gz LANQXMLYMFDFOL-GHMZBOCLSA-N 1 1 180.295 1.341 10 30 ADEEMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C 880132246 583426279 /nfs/dbraw/zinc/42/62/79/583426279.db2.gz KYXZCZIKSCCHHG-VXGBXAGGSA-N 1 1 194.322 1.731 10 30 ADEEMO C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C 880129658 583426325 /nfs/dbraw/zinc/42/63/25/583426325.db2.gz LANQXMLYMFDFOL-QWRGUYRKSA-N 1 1 180.295 1.341 10 30 ADEEMO C=CCN1CC[C@H]2[C@@H]1CCC[N@H+]2C 880129658 583426327 /nfs/dbraw/zinc/42/63/27/583426327.db2.gz LANQXMLYMFDFOL-QWRGUYRKSA-N 1 1 180.295 1.341 10 30 ADEEMO C=CCN1CC[C@H]2[C@@H]1CCC[N@@H+]2C 880129658 583426329 /nfs/dbraw/zinc/42/63/29/583426329.db2.gz LANQXMLYMFDFOL-QWRGUYRKSA-N 1 1 180.295 1.341 10 30 ADEEMO C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C 880129131 583426365 /nfs/dbraw/zinc/42/63/65/583426365.db2.gz DCPRIGZQHOYOTC-NEPJUHHUSA-N 1 1 194.322 1.731 10 30 ADEEMO C#CC[N@H+](C)C1(COC)CCC1 880186738 583426602 /nfs/dbraw/zinc/42/66/02/583426602.db2.gz NTDYSYVADHBMPZ-UHFFFAOYSA-N 1 1 167.252 1.121 10 30 ADEEMO C=CC[N@@H+]1CCC[C@H](CF)C1 880234088 583426681 /nfs/dbraw/zinc/42/66/81/583426681.db2.gz HTNSRVQCQWCTQR-SECBINFHSA-N 1 1 157.232 1.854 10 30 ADEEMO C#CCC[N@H+](C)C1(COC)CCC1 880185370 583426692 /nfs/dbraw/zinc/42/66/92/583426692.db2.gz OEEHJZJPLPNFPV-UHFFFAOYSA-N 1 1 181.279 1.511 10 30 ADEEMO C=CC[N@@H+]1CCC[C@@H](CF)C1 880234089 583426708 /nfs/dbraw/zinc/42/67/08/583426708.db2.gz HTNSRVQCQWCTQR-VIFPVBQESA-N 1 1 157.232 1.854 10 30 ADEEMO C#CCCC[N@H+](C)C1(COC)CCC1 880185690 583427014 /nfs/dbraw/zinc/42/70/14/583427014.db2.gz YZDYTTMHPPMLEB-UHFFFAOYSA-N 1 1 195.306 1.901 10 30 ADEEMO C=CC[N@H+](C)C1(COC)CCC1 880186672 583427165 /nfs/dbraw/zinc/42/71/65/583427165.db2.gz KWYMRHQNUIYEOA-UHFFFAOYSA-N 1 1 169.268 1.673 10 30 ADEEMO C=C(C)[C@@H](CO)[N@H+]1CC[C@H](CF)C1 880297473 583429003 /nfs/dbraw/zinc/42/90/03/583429003.db2.gz ONESRHDCTVWCAK-NXEZZACHSA-N 1 1 187.258 1.215 10 30 ADEEMO C=C(C)[C@H](CO)[N@H+]1CC[C@@H](CF)C1 880297475 583429082 /nfs/dbraw/zinc/42/90/82/583429082.db2.gz ONESRHDCTVWCAK-UWVGGRQHSA-N 1 1 187.258 1.215 10 30 ADEEMO C=C(C)[C@@H](CO)[N@H+]1CC[C@@H](CF)C1 880297476 583429160 /nfs/dbraw/zinc/42/91/60/583429160.db2.gz ONESRHDCTVWCAK-VHSXEESVSA-N 1 1 187.258 1.215 10 30 ADEEMO C=CCC[N@H+](C)[C@H]1CCOC[C@@H]1OC 880428632 583430290 /nfs/dbraw/zinc/43/02/90/583430290.db2.gz RRBQOOVGIWLLSM-QWRGUYRKSA-N 1 1 199.294 1.298 10 30 ADEEMO C=C(C)[C@H](CO)[N@H+]1CC[C@H](CF)C1 880297478 583429915 /nfs/dbraw/zinc/42/99/15/583429915.db2.gz ONESRHDCTVWCAK-ZJUUUORDSA-N 1 1 187.258 1.215 10 30 ADEEMO C=CC[NH2+]C1(c2ncccn2)CCC1 880364382 583430606 /nfs/dbraw/zinc/43/06/06/583430606.db2.gz AMWVLQAHICANOF-UHFFFAOYSA-N 1 1 189.262 1.631 10 30 ADEEMO C=CCC[N@H+](C)[C@H]1CCOC[C@H]1OC 880428634 583430649 /nfs/dbraw/zinc/43/06/49/583430649.db2.gz RRBQOOVGIWLLSM-WDEREUQCSA-N 1 1 199.294 1.298 10 30 ADEEMO C=CCC[N@H+](C)[C@@H]1CCOC[C@H]1OC 880428628 583431429 /nfs/dbraw/zinc/43/14/29/583431429.db2.gz RRBQOOVGIWLLSM-GHMZBOCLSA-N 1 1 199.294 1.298 10 30 ADEEMO C=C(C)C[N@H+](C)[C@@H]1CCOC[C@H]1OC 880422332 583431440 /nfs/dbraw/zinc/43/14/40/583431440.db2.gz BUHZQKBPDWYIPH-GHMZBOCLSA-N 1 1 199.294 1.298 10 30 ADEEMO C=CCC[N@H+]1[C@H](C)CC[C@@H]1CO 880443896 583431482 /nfs/dbraw/zinc/43/14/82/583431482.db2.gz NLJOTBSQAVGRTR-NXEZZACHSA-N 1 1 169.268 1.408 10 30 ADEEMO C=C(C)C[N@H+](C)[C@@H]1CCOC[C@@H]1OC 880422333 583431520 /nfs/dbraw/zinc/43/15/20/583431520.db2.gz BUHZQKBPDWYIPH-MNOVXSKESA-N 1 1 199.294 1.298 10 30 ADEEMO C#CCCCCC[N@@H+]1C[C@@H]2C[C@]2(O)C1 880420866 583431576 /nfs/dbraw/zinc/43/15/76/583431576.db2.gz QZLRTSSUXRFLCF-RYUDHWBXSA-N 1 1 193.290 1.247 10 30 ADEEMO C=CC[C@H](C)[N@H+]1C[C@@H]2C[C@]2(O)C1 880421192 583431637 /nfs/dbraw/zinc/43/16/37/583431637.db2.gz WRPONQHDHBQQNE-GUBZILKMSA-N 1 1 167.252 1.018 10 30 ADEEMO C=C(C)C[N@H+](C)[C@H]1CCOC[C@H]1OC 880422335 583431643 /nfs/dbraw/zinc/43/16/43/583431643.db2.gz BUHZQKBPDWYIPH-WDEREUQCSA-N 1 1 199.294 1.298 10 30 ADEEMO C#CCCCCC[N@@H+]1C[C@H]2C[C@@]2(O)C1 880420867 583431688 /nfs/dbraw/zinc/43/16/88/583431688.db2.gz QZLRTSSUXRFLCF-VXGBXAGGSA-N 1 1 193.290 1.247 10 30 ADEEMO C=C(C)C[N@H+](C)[C@H]1CCOC[C@@H]1OC 880422334 583431711 /nfs/dbraw/zinc/43/17/11/583431711.db2.gz BUHZQKBPDWYIPH-QWRGUYRKSA-N 1 1 199.294 1.298 10 30 ADEEMO C=CC[C@H](C)[N@H+]1C[C@H]2C[C@@]2(O)C1 880421193 583431790 /nfs/dbraw/zinc/43/17/90/583431790.db2.gz WRPONQHDHBQQNE-IVZWLZJFSA-N 1 1 167.252 1.018 10 30 ADEEMO C=C(Cl)C[N@H+]1[C@H](C)CC[C@@H]1CO 880434803 583431863 /nfs/dbraw/zinc/43/18/63/583431863.db2.gz HSFXUPGUZOTSQQ-RKDXNWHRSA-N 1 1 189.686 1.584 10 30 ADEEMO C=CCC[N@H+](C)[C@@H]1CCOC[C@@H]1OC 880428630 583432178 /nfs/dbraw/zinc/43/21/78/583432178.db2.gz RRBQOOVGIWLLSM-MNOVXSKESA-N 1 1 199.294 1.298 10 30 ADEEMO C=CCOCC[N@H+]1[C@H](C)CC[C@@H]1CO 880443761 583432529 /nfs/dbraw/zinc/43/25/29/583432529.db2.gz MKSCNVCREKODEV-GHMZBOCLSA-N 1 1 199.294 1.034 10 30 ADEEMO C=C(C)CC[N@H+]1[C@H](C)CC[C@@H]1CO 880443001 583432582 /nfs/dbraw/zinc/43/25/82/583432582.db2.gz AVONUXRJCWXSIE-GHMZBOCLSA-N 1 1 183.295 1.798 10 30 ADEEMO C[C@@H]1CC[C@H](CO)[N@H+]1CCCC#N 880435890 583432636 /nfs/dbraw/zinc/43/26/36/583432636.db2.gz XBYMTOQIBNGQMK-NXEZZACHSA-N 1 1 182.267 1.135 10 30 ADEEMO C#CCCC[N@H+]1[C@H](C)CC[C@@H]1CO 880443733 583432704 /nfs/dbraw/zinc/43/27/04/583432704.db2.gz LQWBIMRMQVPEQK-GHMZBOCLSA-N 1 1 181.279 1.245 10 30 ADEEMO C=CCCC[N@H+]1[C@H](C)CC[C@@H]1CO 880439237 583432766 /nfs/dbraw/zinc/43/27/66/583432766.db2.gz REHNLFCSRAGJGT-GHMZBOCLSA-N 1 1 183.295 1.798 10 30 ADEEMO C=C(C)C[N@H+]1[C@H](C)CC[C@@H]1CO 880438877 583432787 /nfs/dbraw/zinc/43/27/87/583432787.db2.gz CSZHLJJNRLUBJI-NXEZZACHSA-N 1 1 169.268 1.408 10 30 ADEEMO C=CC[N@H+]1[C@H](C)CC[C@@H]1CO 880440897 583432834 /nfs/dbraw/zinc/43/28/34/583432834.db2.gz LQGVOLJVJKJDIW-RKDXNWHRSA-N 1 1 155.241 1.018 10 30 ADEEMO C=C(CC)C[N@H+]1[C@@H](C)CC[C@H]1CO 880439867 583432853 /nfs/dbraw/zinc/43/28/53/583432853.db2.gz MECGZVFULNYQHB-QWRGUYRKSA-N 1 1 183.295 1.798 10 30 ADEEMO C[C@@H]1CC[C@H](CO)[N@H+]1CCCCC#N 880440774 583432888 /nfs/dbraw/zinc/43/28/88/583432888.db2.gz JBWPJYVAOSPFOA-GHMZBOCLSA-N 1 1 196.294 1.525 10 30 ADEEMO C=CCCCCC[N@@H+]1CC=C[C@@H]1CO 880491093 583434771 /nfs/dbraw/zinc/43/47/71/583434771.db2.gz GCWHNPUCNWKCMX-GFCCVEGCSA-N 1 1 195.306 1.966 10 30 ADEEMO CC(C)(C#N)CC[N@H+]1CC=C[C@H]1CO 880489092 583434969 /nfs/dbraw/zinc/43/49/69/583434969.db2.gz PZWFUTQENREVCL-JTQLQIEISA-N 1 1 194.278 1.159 10 30 ADEEMO C=C(CC)C[N@H+]1CC=C[C@@H]1CO 880488454 583434985 /nfs/dbraw/zinc/43/49/85/583434985.db2.gz FUCCAHYEBIURDQ-SNVBAGLBSA-N 1 1 167.252 1.185 10 30 ADEEMO C=CCCCC[N@@H+]1CC=C[C@H]1CO 880491598 583435041 /nfs/dbraw/zinc/43/50/41/583435041.db2.gz KOVUSYJAEWYTLW-NSHDSACASA-N 1 1 181.279 1.575 10 30 ADEEMO C=CCCC[N@@H+]1CC=C[C@H]1CO 880487716 583435059 /nfs/dbraw/zinc/43/50/59/583435059.db2.gz ZGBOITJMBFNOTB-JTQLQIEISA-N 1 1 167.252 1.185 10 30 ADEEMO C=C(C)CC[N@H+]1CC=C[C@H]1CO 880488550 583435139 /nfs/dbraw/zinc/43/51/39/583435139.db2.gz HGXJFGOHLMJBCY-JTQLQIEISA-N 1 1 167.252 1.185 10 30 ADEEMO C=CCCCC[N@@H+]1CC=C[C@@H]1CO 880491597 583435237 /nfs/dbraw/zinc/43/52/37/583435237.db2.gz KOVUSYJAEWYTLW-LLVKDONJSA-N 1 1 181.279 1.575 10 30 ADEEMO C=CCCCCC[N@@H+]1CC=C[C@H]1CO 880491094 583435523 /nfs/dbraw/zinc/43/55/23/583435523.db2.gz GCWHNPUCNWKCMX-LBPRGKRZSA-N 1 1 195.306 1.966 10 30 ADEEMO CC(C)(C#N)CC[N@H+]1CC=C[C@@H]1CO 880489093 583435642 /nfs/dbraw/zinc/43/56/42/583435642.db2.gz PZWFUTQENREVCL-SNVBAGLBSA-N 1 1 194.278 1.159 10 30 ADEEMO C=C(C)CC[N@H+]1CC=C[C@@H]1CO 880488551 583435751 /nfs/dbraw/zinc/43/57/51/583435751.db2.gz HGXJFGOHLMJBCY-SNVBAGLBSA-N 1 1 167.252 1.185 10 30 ADEEMO C=CCCC[N@@H+]1CC=C[C@@H]1CO 880487717 583435798 /nfs/dbraw/zinc/43/57/98/583435798.db2.gz ZGBOITJMBFNOTB-SNVBAGLBSA-N 1 1 167.252 1.185 10 30 ADEEMO C#CCCCCC[N@@H+]1CC=C[C@H]1CO 880494788 583435924 /nfs/dbraw/zinc/43/59/24/583435924.db2.gz SPGLVFZKFWNGJV-LBPRGKRZSA-N 1 1 193.290 1.413 10 30 ADEEMO C=C(CC)C[N@H+]1CC=C[C@H]1CO 880488453 583436053 /nfs/dbraw/zinc/43/60/53/583436053.db2.gz FUCCAHYEBIURDQ-JTQLQIEISA-N 1 1 167.252 1.185 10 30 ADEEMO C#CCCCCC[N@@H+]1CC=C[C@@H]1CO 880494787 583437141 /nfs/dbraw/zinc/43/71/41/583437141.db2.gz SPGLVFZKFWNGJV-GFCCVEGCSA-N 1 1 193.290 1.413 10 30 ADEEMO C=CC[N@H+](C)[C@@H](CC(C)C)C(N)=O 880588687 583437576 /nfs/dbraw/zinc/43/75/76/583437576.db2.gz WXXXEXDSWHYLKP-VIFPVBQESA-N 1 1 184.283 1.004 10 30 ADEEMO C=CCC[N@H+](C)[C@@H](CC(C)C)C(N)=O 880589819 583437991 /nfs/dbraw/zinc/43/79/91/583437991.db2.gz FFMYIIVGJFTIPW-JTQLQIEISA-N 1 1 198.310 1.394 10 30 ADEEMO C=C(C)C[N@H+](C)[C@@H](CC(C)C)C(N)=O 880587231 583438047 /nfs/dbraw/zinc/43/80/47/583438047.db2.gz HVPQOYLTTIUCNB-JTQLQIEISA-N 1 1 198.310 1.394 10 30 ADEEMO C#CC[N@H+]1C[C@@H]2CCCC[C@@H]21 24668606 583444810 /nfs/dbraw/zinc/44/48/10/583444810.db2.gz HSQVFTBLQLPNIY-UWVGGRQHSA-N 1 1 149.237 1.494 10 30 ADEEMO C#CC[N@H+](C)CCCNCC1(F)CC1 883131183 583461525 /nfs/dbraw/zinc/46/15/25/583461525.db2.gz LZHCPAFFZKSPHG-UHFFFAOYSA-N 1 1 198.285 1.033 10 30 ADEEMO C#CC[N@@H+](C)CCCNCC1(F)CC1 883131183 583461528 /nfs/dbraw/zinc/46/15/28/583461528.db2.gz LZHCPAFFZKSPHG-UHFFFAOYSA-N 1 1 198.285 1.033 10 30 ADEEMO C#CC1([NH2+]Cc2ncc[nH]2)CCCC1 883362583 583464106 /nfs/dbraw/zinc/46/41/06/583464106.db2.gz HZBGXZCSOJCROF-UHFFFAOYSA-N 1 1 189.262 1.445 10 30 ADEEMO C#CC1([NH2+]Cc2cc[nH]n2)CCCC1 883362467 583464143 /nfs/dbraw/zinc/46/41/43/583464143.db2.gz DSQSSBYCCUNMIF-UHFFFAOYSA-N 1 1 189.262 1.445 10 30 ADEEMO C#CC1([NH2+]Cc2cocn2)CCCC1 883362839 583464263 /nfs/dbraw/zinc/46/42/63/583464263.db2.gz OVDWBLQVDRIHLH-UHFFFAOYSA-N 1 1 190.246 1.710 10 30 ADEEMO C=CCN(C[C@@]1(C)CC[NH2+]C1)C(C)C 131610255 583464973 /nfs/dbraw/zinc/46/49/73/583464973.db2.gz HGLNOUHRLMIJET-LBPRGKRZSA-N 1 1 196.338 1.882 10 30 ADEEMO C=C(Cl)C[NH2+]Cc1cncnc1 131658720 583465078 /nfs/dbraw/zinc/46/50/78/583465078.db2.gz LRXRBDOWHGGMKM-UHFFFAOYSA-N 1 1 183.642 1.319 10 30 ADEEMO C=CC[C@@H](C)[N@@H+]1CC[C@H](N)[C@@H]1C 883430324 583465347 /nfs/dbraw/zinc/46/53/47/583465347.db2.gz RYNNOCLVWKMDMK-UTLUCORTSA-N 1 1 168.284 1.373 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CC[C@H](N)[C@@H]1C 883430324 583465350 /nfs/dbraw/zinc/46/53/50/583465350.db2.gz RYNNOCLVWKMDMK-UTLUCORTSA-N 1 1 168.284 1.373 10 30 ADEEMO C=CC[C@H](C)[NH2+]CC1(N)CCC1 883424805 583465605 /nfs/dbraw/zinc/46/56/05/583465605.db2.gz DMYLCDDXUKJYAY-VIFPVBQESA-N 1 1 168.284 1.422 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1C[C@@H]2CCC[C@H](C1)N2 883430412 583465675 /nfs/dbraw/zinc/46/56/75/583465675.db2.gz UWVPWIDJKAPMKA-UTUOFQBUSA-N 1 1 194.322 1.777 10 30 ADEEMO C=CC[C@H](C)N1CCC2(CC[NH2+]2)CC1 883433479 583465694 /nfs/dbraw/zinc/46/56/94/583465694.db2.gz RCHQJWNWZKUMSR-NSHDSACASA-N 1 1 194.322 1.779 10 30 ADEEMO C=CC[C@@H](C)[NH2+]CC1(N)CCC1 883424804 583465703 /nfs/dbraw/zinc/46/57/03/583465703.db2.gz DMYLCDDXUKJYAY-SECBINFHSA-N 1 1 168.284 1.422 10 30 ADEEMO C=C(C)C[C@@H](CO)[NH2+]Cc1cocn1 883400768 583465729 /nfs/dbraw/zinc/46/57/29/583465729.db2.gz UVPJHPBBNQVDJE-VIFPVBQESA-N 1 1 196.250 1.091 10 30 ADEEMO C=CC[C@@H](C)N1CC[C@]2(CCC[NH2+]2)C1 883433208 583465751 /nfs/dbraw/zinc/46/57/51/583465751.db2.gz KSJBXOOBJDPLQO-VXGBXAGGSA-N 1 1 194.322 1.779 10 30 ADEEMO C=CC[C@H](C)[N@H+]1C[C@@H]2CCC[C@H](C1)N2 883430411 583465823 /nfs/dbraw/zinc/46/58/23/583465823.db2.gz UWVPWIDJKAPMKA-SDDRHHMPSA-N 1 1 194.322 1.777 10 30 ADEEMO C=CC[C@@H](C)N1CCC2(CC[NH2+]2)CC1 883433478 583465889 /nfs/dbraw/zinc/46/58/89/583465889.db2.gz RCHQJWNWZKUMSR-LLVKDONJSA-N 1 1 194.322 1.779 10 30 ADEEMO C=CC[C@H](C)[N@@H+]1C[C@H]2CCC[C@]2(N)C1 883437285 583465904 /nfs/dbraw/zinc/46/59/04/583465904.db2.gz OAUDVAUIDBHJHI-TUAOUCFPSA-N 1 1 194.322 1.764 10 30 ADEEMO C=CC[C@H](C)[N@H+]1C[C@H]2CCC[C@]2(N)C1 883437285 583465908 /nfs/dbraw/zinc/46/59/08/583465908.db2.gz OAUDVAUIDBHJHI-TUAOUCFPSA-N 1 1 194.322 1.764 10 30 ADEEMO C=CC[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(N)C1 883437284 583465965 /nfs/dbraw/zinc/46/59/65/583465965.db2.gz OAUDVAUIDBHJHI-SRVKXCTJSA-N 1 1 194.322 1.764 10 30 ADEEMO C=CC[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(N)C1 883437284 583465971 /nfs/dbraw/zinc/46/59/71/583465971.db2.gz OAUDVAUIDBHJHI-SRVKXCTJSA-N 1 1 194.322 1.764 10 30 ADEEMO C=CC[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1N 883434714 583466053 /nfs/dbraw/zinc/46/60/53/583466053.db2.gz ZJNAVLQCOQVTOJ-GMTAPVOTSA-N 1 1 182.311 1.811 10 30 ADEEMO C=CC[C@@H](C)N1CC[C@@]2(CCC[NH2+]2)C1 883433205 583466080 /nfs/dbraw/zinc/46/60/80/583466080.db2.gz KSJBXOOBJDPLQO-NEPJUHHUSA-N 1 1 194.322 1.779 10 30 ADEEMO C=CC[C@H](C)N1CC[C@@]2(CCC[NH2+]2)C1 883433207 583466160 /nfs/dbraw/zinc/46/61/60/583466160.db2.gz KSJBXOOBJDPLQO-RYUDHWBXSA-N 1 1 194.322 1.779 10 30 ADEEMO C=C(C)C[C@H](CO)[NH2+]Cc1cocn1 883400767 583466179 /nfs/dbraw/zinc/46/61/79/583466179.db2.gz UVPJHPBBNQVDJE-SECBINFHSA-N 1 1 196.250 1.091 10 30 ADEEMO C=CC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1N 883434715 583466227 /nfs/dbraw/zinc/46/62/27/583466227.db2.gz ZJNAVLQCOQVTOJ-HBNTYKKESA-N 1 1 182.311 1.811 10 30 ADEEMO C=CC[C@H](C)N1CC[C@]2(CCC[NH2+]2)C1 883433206 583466313 /nfs/dbraw/zinc/46/63/13/583466313.db2.gz KSJBXOOBJDPLQO-NWDGAFQWSA-N 1 1 194.322 1.779 10 30 ADEEMO C=CC[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@]2(N)C1 883437283 583466416 /nfs/dbraw/zinc/46/64/16/583466416.db2.gz OAUDVAUIDBHJHI-SDDRHHMPSA-N 1 1 194.322 1.764 10 30 ADEEMO C=CC[C@H](C)[N@H+]1C[C@@H]2CCC[C@@]2(N)C1 883437283 583466420 /nfs/dbraw/zinc/46/64/20/583466420.db2.gz OAUDVAUIDBHJHI-SDDRHHMPSA-N 1 1 194.322 1.764 10 30 ADEEMO C=CC[C@@H](C)[N@@H+]1CC2CC1(CN)C2 883436376 583467192 /nfs/dbraw/zinc/46/71/92/583467192.db2.gz RECQGEMGNLELLT-KPPDAEKUSA-N 1 1 180.295 1.374 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CC2CC1(CN)C2 883436376 583467194 /nfs/dbraw/zinc/46/71/94/583467194.db2.gz RECQGEMGNLELLT-KPPDAEKUSA-N 1 1 180.295 1.374 10 30 ADEEMO C=CC[C@H](C)[N@@H+]1CC2CC1(CN)C2 883436377 583467497 /nfs/dbraw/zinc/46/74/97/583467497.db2.gz RECQGEMGNLELLT-WHXUTIOJSA-N 1 1 180.295 1.374 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC2CC1(CN)C2 883436377 583467500 /nfs/dbraw/zinc/46/75/00/583467500.db2.gz RECQGEMGNLELLT-WHXUTIOJSA-N 1 1 180.295 1.374 10 30 ADEEMO C=CC[C@H](C)[N@@H+]1C[C@H]2CCC[C@@]2(N)C1 883437282 583467543 /nfs/dbraw/zinc/46/75/43/583467543.db2.gz OAUDVAUIDBHJHI-QJPTWQEYSA-N 1 1 194.322 1.764 10 30 ADEEMO C=CC[C@H](C)[N@H+]1C[C@H]2CCC[C@@]2(N)C1 883437282 583467544 /nfs/dbraw/zinc/46/75/44/583467544.db2.gz OAUDVAUIDBHJHI-QJPTWQEYSA-N 1 1 194.322 1.764 10 30 ADEEMO C#CCC[N@@H+]1CC[C@H](C(C)C)C1 133737246 583474094 /nfs/dbraw/zinc/47/40/94/583474094.db2.gz RIDPZBNVYVEEBI-NSHDSACASA-N 1 1 165.280 1.988 10 30 ADEEMO C#CC[N@H+](CC)C[C@@H]1CCCOC1 216771976 583487005 /nfs/dbraw/zinc/48/70/05/583487005.db2.gz BSBMLDFEDWLJTB-NSHDSACASA-N 1 1 181.279 1.368 10 30 ADEEMO C#CC[N@H+](CC)[C@@H]1CCCOC1 216768359 583487163 /nfs/dbraw/zinc/48/71/63/583487163.db2.gz UXOAIJAUUDWFQN-SNVBAGLBSA-N 1 1 167.252 1.121 10 30 ADEEMO C#CC[N@H+](CC)[C@H]1CCCOC1 216768408 583487200 /nfs/dbraw/zinc/48/72/00/583487200.db2.gz UXOAIJAUUDWFQN-JTQLQIEISA-N 1 1 167.252 1.121 10 30 ADEEMO C#CC[N@H+](CC)C[C@H]1CCCOC1 216772026 583487237 /nfs/dbraw/zinc/48/72/37/583487237.db2.gz BSBMLDFEDWLJTB-LLVKDONJSA-N 1 1 181.279 1.368 10 30 ADEEMO C=CCCC[N@H+](C)[C@@H](CC)CN 136034657 583487694 /nfs/dbraw/zinc/48/76/94/583487694.db2.gz DHTMKPAFOQOTOW-JTQLQIEISA-N 1 1 170.300 1.622 10 30 ADEEMO C=CCCCN(C)[C@@H](CC)C[NH3+] 136034657 583487696 /nfs/dbraw/zinc/48/76/96/583487696.db2.gz DHTMKPAFOQOTOW-JTQLQIEISA-N 1 1 170.300 1.622 10 30 ADEEMO C=C(Cl)C[NH2+]Cc1[nH]nc(C)c1C 885992911 583489275 /nfs/dbraw/zinc/48/92/75/583489275.db2.gz UCYUPTFTSPAKAV-UHFFFAOYSA-N 1 1 199.685 1.869 10 30 ADEEMO C#CC[N@H+](CC)C[C@H]1C[C@@]12CCOC2 886032791 583490117 /nfs/dbraw/zinc/49/01/17/583490117.db2.gz OIIZAMNVDGOUPU-VXGBXAGGSA-N 1 1 193.290 1.368 10 30 ADEEMO C#CC[N@H+](CC)C[C@@H]1C[C@@]12CCOC2 886032789 583490235 /nfs/dbraw/zinc/49/02/35/583490235.db2.gz OIIZAMNVDGOUPU-NWDGAFQWSA-N 1 1 193.290 1.368 10 30 ADEEMO C#CC[N@H+](CC)C[C@H]1C[C@]12CCOC2 886032788 583490385 /nfs/dbraw/zinc/49/03/85/583490385.db2.gz OIIZAMNVDGOUPU-NEPJUHHUSA-N 1 1 193.290 1.368 10 30 ADEEMO C#CC[N@H+](CC)C[C@@H]1C[C@]12CCOC2 886032790 583490689 /nfs/dbraw/zinc/49/06/89/583490689.db2.gz OIIZAMNVDGOUPU-RYUDHWBXSA-N 1 1 193.290 1.368 10 30 ADEEMO C#CCC[C@H]([NH3+])C(=O)OC(C)(C)C 136838283 583491442 /nfs/dbraw/zinc/49/14/42/583491442.db2.gz LBLFZJUYLFNQQM-QMMMGPOBSA-N 1 1 183.251 1.069 10 30 ADEEMO C=C(C)C[N@@H+](C)C[C@@H]1C[C@@]12CCOC2 886116468 583491707 /nfs/dbraw/zinc/49/17/07/583491707.db2.gz IVYJWKKFFLSTFT-NWDGAFQWSA-N 1 1 195.306 1.921 10 30 ADEEMO C=C(C)C[N@@H+](C)C[C@H]1C[C@@]12CCOC2 886116470 583491747 /nfs/dbraw/zinc/49/17/47/583491747.db2.gz IVYJWKKFFLSTFT-VXGBXAGGSA-N 1 1 195.306 1.921 10 30 ADEEMO C=C(C)C[N@@H+](C)C[C@H]1C[C@]12CCOC2 886116467 583491842 /nfs/dbraw/zinc/49/18/42/583491842.db2.gz IVYJWKKFFLSTFT-NEPJUHHUSA-N 1 1 195.306 1.921 10 30 ADEEMO C=C(C)C[N@@H+](C)C[C@@H]1C[C@]12CCOC2 886116469 583491988 /nfs/dbraw/zinc/49/19/88/583491988.db2.gz IVYJWKKFFLSTFT-RYUDHWBXSA-N 1 1 195.306 1.921 10 30 ADEEMO C=CCC[N@H+](C)C[C@@H]1C[C@@]12CCOC2 886164322 583492280 /nfs/dbraw/zinc/49/22/80/583492280.db2.gz HVLHLWJOMVJHPY-NWDGAFQWSA-N 1 1 195.306 1.921 10 30 ADEEMO C#CC[N@@H+](C)CCOC1CCCCC1 886166761 583492292 /nfs/dbraw/zinc/49/22/92/583492292.db2.gz QWPMVHBEJLMAJN-UHFFFAOYSA-N 1 1 195.306 1.901 10 30 ADEEMO C#CC[N@@H+](C)CC[C@@H]1C[C@H]1C1CC1 886166284 583492300 /nfs/dbraw/zinc/49/23/00/583492300.db2.gz DPZDHWZUFJBHBG-NEPJUHHUSA-N 1 1 177.291 1.988 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)C[C@@H]1C[C@]12CCOC2 886173437 583492451 /nfs/dbraw/zinc/49/24/51/583492451.db2.gz PESTYLGHFCXHMY-SRVKXCTJSA-N 1 1 193.290 1.367 10 30 ADEEMO C#CC[N@H+](C)C[C@H]1CC[C@@H](C2CC2)O1 886166777 583492463 /nfs/dbraw/zinc/49/24/63/583492463.db2.gz RQUMWXYYIZOCEQ-NEPJUHHUSA-N 1 1 193.290 1.509 10 30 ADEEMO C#CC(C)(C)[N@H+](C)Cc1n[nH]cc1C 886173528 583492495 /nfs/dbraw/zinc/49/24/95/583492495.db2.gz RMLHPBRGTZWJOI-UHFFFAOYSA-N 1 1 191.278 1.562 10 30 ADEEMO C#CC(C)(C)[N@@H+](C)Cc1n[nH]cc1C 886173528 583492496 /nfs/dbraw/zinc/49/24/96/583492496.db2.gz RMLHPBRGTZWJOI-UHFFFAOYSA-N 1 1 191.278 1.562 10 30 ADEEMO C=CC[N@H+](C)C[C@H]1C[C@@]12CCOC2 886145442 583492509 /nfs/dbraw/zinc/49/25/09/583492509.db2.gz YLGCGSFFCUIOHP-GHMZBOCLSA-N 1 1 181.279 1.531 10 30 ADEEMO C=CCC[N@H+](C)C[C@@H]1C[C@]12CCOC2 886164323 583492564 /nfs/dbraw/zinc/49/25/64/583492564.db2.gz HVLHLWJOMVJHPY-RYUDHWBXSA-N 1 1 195.306 1.921 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)C[C@H]1C[C@]12CCOC2 886173438 583492570 /nfs/dbraw/zinc/49/25/70/583492570.db2.gz PESTYLGHFCXHMY-TUAOUCFPSA-N 1 1 193.290 1.367 10 30 ADEEMO C=CC[N@H+](C)C[C@H]1C[C@]12CCOC2 886145443 583492605 /nfs/dbraw/zinc/49/26/05/583492605.db2.gz YLGCGSFFCUIOHP-MNOVXSKESA-N 1 1 181.279 1.531 10 30 ADEEMO C=CCC[N@H+](C)C[C@H]1C[C@]12CCOC2 886164321 583492678 /nfs/dbraw/zinc/49/26/78/583492678.db2.gz HVLHLWJOMVJHPY-NEPJUHHUSA-N 1 1 195.306 1.921 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)C[C@H]1C[C@@]12CCOC2 886173435 583492830 /nfs/dbraw/zinc/49/28/30/583492830.db2.gz PESTYLGHFCXHMY-QJPTWQEYSA-N 1 1 193.290 1.367 10 30 ADEEMO C=CC[N@H+](C)C[C@@H]1C[C@@]12CCOC2 886145445 583492876 /nfs/dbraw/zinc/49/28/76/583492876.db2.gz YLGCGSFFCUIOHP-WDEREUQCSA-N 1 1 181.279 1.531 10 30 ADEEMO C=CCC[N@H+](C)C[C@H]1C[C@@]12CCOC2 886164324 583492880 /nfs/dbraw/zinc/49/28/80/583492880.db2.gz HVLHLWJOMVJHPY-VXGBXAGGSA-N 1 1 195.306 1.921 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)C[C@@H]1C[C@@]12CCOC2 886173436 583492885 /nfs/dbraw/zinc/49/28/85/583492885.db2.gz PESTYLGHFCXHMY-SDDRHHMPSA-N 1 1 193.290 1.367 10 30 ADEEMO C#CC[N@H+](C)C[C@H]1CC[C@H](C2CC2)O1 886166780 583493020 /nfs/dbraw/zinc/49/30/20/583493020.db2.gz RQUMWXYYIZOCEQ-VXGBXAGGSA-N 1 1 193.290 1.509 10 30 ADEEMO C=CC[N@H+](C)C[C@@H]1C[C@]12CCOC2 886145444 583493051 /nfs/dbraw/zinc/49/30/51/583493051.db2.gz YLGCGSFFCUIOHP-QWRGUYRKSA-N 1 1 181.279 1.531 10 30 ADEEMO C#CC[N@H+](C)C[C@@H]1CC[C@@H](C2CC2)O1 886166779 583493090 /nfs/dbraw/zinc/49/30/90/583493090.db2.gz RQUMWXYYIZOCEQ-RYUDHWBXSA-N 1 1 193.290 1.509 10 30 ADEEMO C#CC[N@H+](C)C[C@@H]1CC[C@H](C2CC2)O1 886166778 583493129 /nfs/dbraw/zinc/49/31/29/583493129.db2.gz RQUMWXYYIZOCEQ-NWDGAFQWSA-N 1 1 193.290 1.509 10 30 ADEEMO C#CC[N@@H+](C)CCSC(F)(F)F 886166620 583493143 /nfs/dbraw/zinc/49/31/43/583493143.db2.gz MJPSAQZFONOOCT-UHFFFAOYSA-N 1 1 197.225 1.804 10 30 ADEEMO C#C[C@](C)(CC)[NH2+]Cc1n[nH]cc1C 886220341 583493424 /nfs/dbraw/zinc/49/34/24/583493424.db2.gz GQMQGGOEHKPOBT-LLVKDONJSA-N 1 1 191.278 1.610 10 30 ADEEMO C=CCN1CC[NH2+]CCC1(C)C 218762503 583493462 /nfs/dbraw/zinc/49/34/62/583493462.db2.gz LITNAZFIMJELRJ-UHFFFAOYSA-N 1 1 168.284 1.246 10 30 ADEEMO CC#CC[N@@H+](C)C[C@H]1C[C@@]12CCOC2 886220601 583493541 /nfs/dbraw/zinc/49/35/41/583493541.db2.gz KPVRKUOUKIAPDM-VXGBXAGGSA-N 1 1 193.290 1.368 10 30 ADEEMO CC#CC[N@@H+](C)C[C@H]1C[C@]12CCOC2 886220598 583493770 /nfs/dbraw/zinc/49/37/70/583493770.db2.gz KPVRKUOUKIAPDM-NEPJUHHUSA-N 1 1 193.290 1.368 10 30 ADEEMO CC#CC[N@@H+](C)C[C@@H]1C[C@@]12CCOC2 886220599 583493834 /nfs/dbraw/zinc/49/38/34/583493834.db2.gz KPVRKUOUKIAPDM-NWDGAFQWSA-N 1 1 193.290 1.368 10 30 ADEEMO C#C[C@@](C)(CC)[NH2+]Cc1n[nH]cc1C 886220342 583494136 /nfs/dbraw/zinc/49/41/36/583494136.db2.gz GQMQGGOEHKPOBT-NSHDSACASA-N 1 1 191.278 1.610 10 30 ADEEMO CC#CC[N@@H+](C)C[C@@H]1C[C@]12CCOC2 886220600 583494414 /nfs/dbraw/zinc/49/44/14/583494414.db2.gz KPVRKUOUKIAPDM-RYUDHWBXSA-N 1 1 193.290 1.368 10 30 ADEEMO C#CC[NH2+][C@H](C)c1nccnc1C 219081204 583495003 /nfs/dbraw/zinc/49/50/03/583495003.db2.gz UCNIYCSYSJXVDY-MRVPVSSYSA-N 1 1 175.235 1.069 10 30 ADEEMO C#CC[NH2+][C@@H](C)c1nccnc1C 219081130 583495116 /nfs/dbraw/zinc/49/51/16/583495116.db2.gz UCNIYCSYSJXVDY-QMMMGPOBSA-N 1 1 175.235 1.069 10 30 ADEEMO C=CCCC[N@@H+]1C[C@H]2C[C@H]2C1 886333027 583495833 /nfs/dbraw/zinc/49/58/33/583495833.db2.gz BSAARNIACXUENM-AOOOYVTPSA-N 1 1 151.253 1.904 10 30 ADEEMO C#CC[C@@H]1CC[N@@H+](C[C@H]2CCOC2)C1 886355096 583497781 /nfs/dbraw/zinc/49/77/81/583497781.db2.gz CBISFGMCLXNVCU-VXGBXAGGSA-N 1 1 193.290 1.368 10 30 ADEEMO C#CC[C@H]1CC[N@H+](CCC)C1 886355147 583498356 /nfs/dbraw/zinc/49/83/56/583498356.db2.gz CZACYPBPGUMRLH-JTQLQIEISA-N 1 1 151.253 1.742 10 30 ADEEMO N#CCSCCC[N@@H+]1C[C@H]2C[C@H]2C1 886335575 583496644 /nfs/dbraw/zinc/49/66/44/583496644.db2.gz DZAUYDJNFVMISL-AOOOYVTPSA-N 1 1 196.319 1.585 10 30 ADEEMO C=CC[C@@H](C)[N@@H+]1C[C@H]2C[C@H]2C1 886348363 583496836 /nfs/dbraw/zinc/49/68/36/583496836.db2.gz LIANVVXIGVUTLV-BBBLOLIVSA-N 1 1 151.253 1.903 10 30 ADEEMO C=CC[C@H](C)[N@@H+]1C[C@H]2C[C@H]2C1 886348366 583497004 /nfs/dbraw/zinc/49/70/04/583497004.db2.gz LIANVVXIGVUTLV-LPEHRKFASA-N 1 1 151.253 1.903 10 30 ADEEMO C=CCOCC[N@@H+]1C[C@H]2C[C@H]2C1 886347912 583497224 /nfs/dbraw/zinc/49/72/24/583497224.db2.gz BUOBKVNKUUABNT-AOOOYVTPSA-N 1 1 167.252 1.141 10 30 ADEEMO C=CC[C@H](C(=O)OC)[N@@H+]1C[C@H]2C[C@H]2C1 886348559 583497264 /nfs/dbraw/zinc/49/72/64/583497264.db2.gz OMXKXHRLBBRJGR-KXUCPTDWSA-N 1 1 195.262 1.056 10 30 ADEEMO C#CCC[N@H+]1CC[C@H](CC#C)C1 886362524 583497273 /nfs/dbraw/zinc/49/72/73/583497273.db2.gz AXWUUHHNOOAADK-NSHDSACASA-N 1 1 161.248 1.355 10 30 ADEEMO C#CC[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 886355093 583497676 /nfs/dbraw/zinc/49/76/76/583497676.db2.gz CBISFGMCLXNVCU-NEPJUHHUSA-N 1 1 193.290 1.368 10 30 ADEEMO C#CC[C@@H]1CC[N@H+](CCC)C1 886355148 583497691 /nfs/dbraw/zinc/49/76/91/583497691.db2.gz CZACYPBPGUMRLH-SNVBAGLBSA-N 1 1 151.253 1.742 10 30 ADEEMO C#CC[C@H]1CC[N@H+]([C@H]2CCOC2)C1 886363733 583497699 /nfs/dbraw/zinc/49/76/99/583497699.db2.gz AHSKVRZOWKJXFR-QWRGUYRKSA-N 1 1 179.263 1.121 10 30 ADEEMO C#CC[C@@H]1CC[N@H+](CCCOC)C1 886355215 583497705 /nfs/dbraw/zinc/49/77/05/583497705.db2.gz DYBQAGKFJLCKRU-LLVKDONJSA-N 1 1 181.279 1.368 10 30 ADEEMO C#CC[C@H]1CC[N@@H+](C[C@H]2CCOC2)C1 886355094 583497738 /nfs/dbraw/zinc/49/77/38/583497738.db2.gz CBISFGMCLXNVCU-NWDGAFQWSA-N 1 1 193.290 1.368 10 30 ADEEMO C#CC[C@@H]1CC[N@H+](CCOC(C)C)C1 886354195 583497748 /nfs/dbraw/zinc/49/77/48/583497748.db2.gz XZQWZRBGCRFSPD-GFCCVEGCSA-N 1 1 195.306 1.757 10 30 ADEEMO C#CC[C@@H]1CC[N@H+]([C@H]2CCOC2)C1 886363732 583497753 /nfs/dbraw/zinc/49/77/53/583497753.db2.gz AHSKVRZOWKJXFR-MNOVXSKESA-N 1 1 179.263 1.121 10 30 ADEEMO C#CC[C@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 886355095 583497766 /nfs/dbraw/zinc/49/77/66/583497766.db2.gz CBISFGMCLXNVCU-RYUDHWBXSA-N 1 1 193.290 1.368 10 30 ADEEMO C#CC[C@@H]1CC[N@H+](CC=C)C1 886353239 583497813 /nfs/dbraw/zinc/49/78/13/583497813.db2.gz DYQMIZDRFJCHRT-SNVBAGLBSA-N 1 1 149.237 1.518 10 30 ADEEMO C#CC[C@H]1CC[N@H+](CC=C)C1 886353238 583497836 /nfs/dbraw/zinc/49/78/36/583497836.db2.gz DYQMIZDRFJCHRT-JTQLQIEISA-N 1 1 149.237 1.518 10 30 ADEEMO C#CC[C@H]1CC[N@@H+](Cc2ccno2)C1 886353581 583497856 /nfs/dbraw/zinc/49/78/56/583497856.db2.gz LYJLOEVIFMAPJK-JTQLQIEISA-N 1 1 190.246 1.520 10 30 ADEEMO C#CC[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C1 886353723 583497904 /nfs/dbraw/zinc/49/79/04/583497904.db2.gz OAPZCQLTBHRSDO-VXGBXAGGSA-N 1 1 193.290 1.511 10 30 ADEEMO C#CC[C@H]1CC[N@H+]([C@@H]2CCOC2)C1 886363734 583497909 /nfs/dbraw/zinc/49/79/09/583497909.db2.gz AHSKVRZOWKJXFR-WDEREUQCSA-N 1 1 179.263 1.121 10 30 ADEEMO CC#CC[NH2+][C@@H](C)c1nccnc1C 219211469 583497914 /nfs/dbraw/zinc/49/79/14/583497914.db2.gz SMBUGWJHALZJTL-VIFPVBQESA-N 1 1 189.262 1.459 10 30 ADEEMO C#CC[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C1 886353720 583497920 /nfs/dbraw/zinc/49/79/20/583497920.db2.gz OAPZCQLTBHRSDO-NEPJUHHUSA-N 1 1 193.290 1.511 10 30 ADEEMO C#CC[C@@H]1CC[N@H+](CCCOCC)C1 886357979 583497924 /nfs/dbraw/zinc/49/79/24/583497924.db2.gz NOPGYWJMUWDWSZ-GFCCVEGCSA-N 1 1 195.306 1.758 10 30 ADEEMO C#CC[C@H]1CC[N@H+](CCCOC)C1 886355216 583497931 /nfs/dbraw/zinc/49/79/31/583497931.db2.gz DYBQAGKFJLCKRU-NSHDSACASA-N 1 1 181.279 1.368 10 30 ADEEMO C#CC[C@@H]1CC[N@@H+](Cc2ccno2)C1 886353582 583497942 /nfs/dbraw/zinc/49/79/42/583497942.db2.gz LYJLOEVIFMAPJK-SNVBAGLBSA-N 1 1 190.246 1.520 10 30 ADEEMO C#CC[C@H]1CC[N@@H+](CCC#N)C1 886353405 583497957 /nfs/dbraw/zinc/49/79/57/583497957.db2.gz IPCYUFUQHSLCGA-JTQLQIEISA-N 1 1 162.236 1.245 10 30 ADEEMO C#CC[C@H]1CC[N@@H+](C[C@H]2CCCO2)C1 886353721 583497997 /nfs/dbraw/zinc/49/79/97/583497997.db2.gz OAPZCQLTBHRSDO-NWDGAFQWSA-N 1 1 193.290 1.511 10 30 ADEEMO C#CC[C@H]1CC[N@H+](CCOC(C)C)C1 886354196 583498031 /nfs/dbraw/zinc/49/80/31/583498031.db2.gz XZQWZRBGCRFSPD-LBPRGKRZSA-N 1 1 195.306 1.757 10 30 ADEEMO C#CC[C@H]1CC[N@H+](CC(=C)C)C1 886353711 583498039 /nfs/dbraw/zinc/49/80/39/583498039.db2.gz NUTLTFJEUNLSFQ-NSHDSACASA-N 1 1 163.264 1.908 10 30 ADEEMO C#CC[C@H]1CC[N@H+](CCCCCO)C1 886355272 583498116 /nfs/dbraw/zinc/49/81/16/583498116.db2.gz FSFYGGJUXPZOSA-LBPRGKRZSA-N 1 1 195.306 1.494 10 30 ADEEMO C#CC[C@@H]1CC[N@@H+](CCC#N)C1 886353406 583498234 /nfs/dbraw/zinc/49/82/34/583498234.db2.gz IPCYUFUQHSLCGA-SNVBAGLBSA-N 1 1 162.236 1.245 10 30 ADEEMO C=CC[C@@H](C(=O)OC)[N@@H+]1C[C@H]2C[C@H]2C1 886348558 583498265 /nfs/dbraw/zinc/49/82/65/583498265.db2.gz OMXKXHRLBBRJGR-AEJSXWLSSA-N 1 1 195.262 1.056 10 30 ADEEMO C#CC[C@@H]1CC[N@H+](CC(=C)C)C1 886353710 583498274 /nfs/dbraw/zinc/49/82/74/583498274.db2.gz NUTLTFJEUNLSFQ-LLVKDONJSA-N 1 1 163.264 1.908 10 30 ADEEMO C#CC[C@H]1CC[N@@H+](C[C@@H]2CCCO2)C1 886353722 583498293 /nfs/dbraw/zinc/49/82/93/583498293.db2.gz OAPZCQLTBHRSDO-RYUDHWBXSA-N 1 1 193.290 1.511 10 30 ADEEMO C#CC[C@@H]1CC[N@H+](C[C@H](O)CCC)C1 886366147 583498300 /nfs/dbraw/zinc/49/83/00/583498300.db2.gz YBCMVDITTDUYAK-VXGBXAGGSA-N 1 1 195.306 1.493 10 30 ADEEMO C#CC[C@H]1CC[N@H+](CCCOCC)C1 886357980 583498310 /nfs/dbraw/zinc/49/83/10/583498310.db2.gz NOPGYWJMUWDWSZ-LBPRGKRZSA-N 1 1 195.306 1.758 10 30 ADEEMO C#CC[C@@H]1CC[N@H+](CCCCCO)C1 886355271 583498330 /nfs/dbraw/zinc/49/83/30/583498330.db2.gz FSFYGGJUXPZOSA-GFCCVEGCSA-N 1 1 195.306 1.494 10 30 ADEEMO C#CC[C@@H]1CC[N@H+](CCSC)C1 886355787 583498516 /nfs/dbraw/zinc/49/85/16/583498516.db2.gz NSLYNHKBWRCTDA-SNVBAGLBSA-N 1 1 183.320 1.695 10 30 ADEEMO C#CC[C@@H]1CC[N@H+](CCOCC)C1 886355480 583498541 /nfs/dbraw/zinc/49/85/41/583498541.db2.gz JEJQNRRZJCUUGH-LLVKDONJSA-N 1 1 181.279 1.368 10 30 ADEEMO C#CC[C@H]1CC[N@H+](CCSC)C1 886355786 583498631 /nfs/dbraw/zinc/49/86/31/583498631.db2.gz NSLYNHKBWRCTDA-JTQLQIEISA-N 1 1 183.320 1.695 10 30 ADEEMO C#CC[C@H]1CC[N@H+](CCOCC)C1 886355481 583498671 /nfs/dbraw/zinc/49/86/71/583498671.db2.gz JEJQNRRZJCUUGH-NSHDSACASA-N 1 1 181.279 1.368 10 30 ADEEMO C=CCCCC[N@@H+]1C[C@@H](C)[C@H](CO)C1 886482930 583499070 /nfs/dbraw/zinc/49/90/70/583499070.db2.gz VTGHUOLOYAWFDU-NEPJUHHUSA-N 1 1 197.322 1.903 10 30 ADEEMO C=CCCC[N@H+](C)C[C@H]([NH3+])CC 220268328 583499955 /nfs/dbraw/zinc/49/99/55/583499955.db2.gz FCLHRVDHBWYPMG-SNVBAGLBSA-N 1 1 170.300 1.622 10 30 ADEEMO C=CCCCN(C)C[C@H]([NH3+])CC 220268328 583499956 /nfs/dbraw/zinc/49/99/56/583499956.db2.gz FCLHRVDHBWYPMG-SNVBAGLBSA-N 1 1 170.300 1.622 10 30 ADEEMO C=CCCC[N@@H+](C)C[C@H](N)CC 220268328 583499959 /nfs/dbraw/zinc/49/99/59/583499959.db2.gz FCLHRVDHBWYPMG-SNVBAGLBSA-N 1 1 170.300 1.622 10 30 ADEEMO C=CCCC[N@H+](C)C[C@H](N)CC 220268328 583499962 /nfs/dbraw/zinc/49/99/62/583499962.db2.gz FCLHRVDHBWYPMG-SNVBAGLBSA-N 1 1 170.300 1.622 10 30 ADEEMO C#CCC[N@H+]1CC[C@@]2(CO)CCC[C@@H]12 886631032 583499986 /nfs/dbraw/zinc/49/99/86/583499986.db2.gz ARKCDELJYHXWJE-VXGBXAGGSA-N 1 1 193.290 1.247 10 30 ADEEMO C=CCCC[N@H+](C)[C@@H](C)CC[NH3+] 220312680 583500016 /nfs/dbraw/zinc/50/00/16/583500016.db2.gz GKBRGQIDSDPWFZ-JTQLQIEISA-N 1 1 170.300 1.622 10 30 ADEEMO C=CCC[N@H+]1CC[C@@]2(CO)CCC[C@@H]12 886626651 583500055 /nfs/dbraw/zinc/50/00/55/583500055.db2.gz HUPDWXYWDNJDMZ-VXGBXAGGSA-N 1 1 195.306 1.799 10 30 ADEEMO C=CCCC[N@H+](C)[C@H](C)CC[NH3+] 220312743 583500096 /nfs/dbraw/zinc/50/00/96/583500096.db2.gz GKBRGQIDSDPWFZ-SNVBAGLBSA-N 1 1 170.300 1.622 10 30 ADEEMO C=CCCC[N@H+](C)C[C@H](C)C[NH3+] 220268565 583500140 /nfs/dbraw/zinc/50/01/40/583500140.db2.gz HQXYOZXDKGTDND-SNVBAGLBSA-N 1 1 170.300 1.479 10 30 ADEEMO C=CC[N@H+]1CC[C@@]2(CO)CCC[C@@H]12 886622619 583500208 /nfs/dbraw/zinc/50/02/08/583500208.db2.gz YLCJDVPYWIOAST-GHMZBOCLSA-N 1 1 181.279 1.409 10 30 ADEEMO C=CCCC[N@H+](C)C[C@@H](C)C[NH3+] 220268498 583500288 /nfs/dbraw/zinc/50/02/88/583500288.db2.gz HQXYOZXDKGTDND-JTQLQIEISA-N 1 1 170.300 1.479 10 30 ADEEMO CC#CC[N@H+]1CC[C@@]2(CO)CCC[C@@H]12 886627154 583500523 /nfs/dbraw/zinc/50/05/23/583500523.db2.gz UVCQUVDBUXBJOX-VXGBXAGGSA-N 1 1 193.290 1.247 10 30 ADEEMO C=CCCC[N@H+](C)CC1C[NH2+]C1 220272348 583500534 /nfs/dbraw/zinc/50/05/34/583500534.db2.gz CWRQQFSQTBVEKX-UHFFFAOYSA-N 1 1 168.284 1.104 10 30 ADEEMO C=CCCC[N@H+](C)C[C@@H]([NH3+])CC 220268260 583500543 /nfs/dbraw/zinc/50/05/43/583500543.db2.gz FCLHRVDHBWYPMG-JTQLQIEISA-N 1 1 170.300 1.622 10 30 ADEEMO C=CCCCN(C)C[C@@H]([NH3+])CC 220268260 583500545 /nfs/dbraw/zinc/50/05/45/583500545.db2.gz FCLHRVDHBWYPMG-JTQLQIEISA-N 1 1 170.300 1.622 10 30 ADEEMO C=CCCC[N@@H+](C)C[C@@H](N)CC 220268260 583500547 /nfs/dbraw/zinc/50/05/47/583500547.db2.gz FCLHRVDHBWYPMG-JTQLQIEISA-N 1 1 170.300 1.622 10 30 ADEEMO C=CCCC[N@H+](C)C[C@@H](N)CC 220268260 583500548 /nfs/dbraw/zinc/50/05/48/583500548.db2.gz FCLHRVDHBWYPMG-JTQLQIEISA-N 1 1 170.300 1.622 10 30 ADEEMO C=C(C)C[N@H+]1CC[C@@]2(CO)CCC[C@@H]12 886622574 583500773 /nfs/dbraw/zinc/50/07/73/583500773.db2.gz XIECELFKIBNAGG-VXGBXAGGSA-N 1 1 195.306 1.799 10 30 ADEEMO C=CCCC[N@H+](C)CC1(N)CC1 220265036 583500817 /nfs/dbraw/zinc/50/08/17/583500817.db2.gz FRIHTDJUWFSSRA-UHFFFAOYSA-N 1 1 168.284 1.376 10 30 ADEEMO C=CCCCN(C)CC1([NH3+])CC1 220265036 583500818 /nfs/dbraw/zinc/50/08/18/583500818.db2.gz FRIHTDJUWFSSRA-UHFFFAOYSA-N 1 1 168.284 1.376 10 30 ADEEMO C#CCC[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 886819468 583500965 /nfs/dbraw/zinc/50/09/65/583500965.db2.gz SSSCNBIAAROCSH-VXGBXAGGSA-N 1 1 193.290 1.511 10 30 ADEEMO CC#CC[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 886821397 583501030 /nfs/dbraw/zinc/50/10/30/583501030.db2.gz BUKNYODIDDJSGW-RYUDHWBXSA-N 1 1 193.290 1.511 10 30 ADEEMO C#CCC[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 886819467 583501052 /nfs/dbraw/zinc/50/10/52/583501052.db2.gz SSSCNBIAAROCSH-RYUDHWBXSA-N 1 1 193.290 1.511 10 30 ADEEMO CC#CC[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 886821398 583501057 /nfs/dbraw/zinc/50/10/57/583501057.db2.gz BUKNYODIDDJSGW-VXGBXAGGSA-N 1 1 193.290 1.511 10 30 ADEEMO CC#CC[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 886821395 583501062 /nfs/dbraw/zinc/50/10/62/583501062.db2.gz BUKNYODIDDJSGW-NEPJUHHUSA-N 1 1 193.290 1.511 10 30 ADEEMO CC#CC[N@H+]1CC[C@H]([C@H]2CCCO2)C1 886821396 583501526 /nfs/dbraw/zinc/50/15/26/583501526.db2.gz BUKNYODIDDJSGW-NWDGAFQWSA-N 1 1 193.290 1.511 10 30 ADEEMO C#CCC[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 886819465 583501673 /nfs/dbraw/zinc/50/16/73/583501673.db2.gz SSSCNBIAAROCSH-NEPJUHHUSA-N 1 1 193.290 1.511 10 30 ADEEMO C#CCC[N@H+]1CC[C@H]([C@H]2CCCO2)C1 886819466 583501859 /nfs/dbraw/zinc/50/18/59/583501859.db2.gz SSSCNBIAAROCSH-NWDGAFQWSA-N 1 1 193.290 1.511 10 30 ADEEMO C=CC[N@H+]1CC[C@H]([C@H]2CCCO2)C1 886833176 583502480 /nfs/dbraw/zinc/50/24/80/583502480.db2.gz URYBEGDSXWHTHP-WDEREUQCSA-N 1 1 181.279 1.673 10 30 ADEEMO C#CC[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 886835732 583502630 /nfs/dbraw/zinc/50/26/30/583502630.db2.gz PRCJZDMBFMKTNG-MNOVXSKESA-N 1 1 179.263 1.121 10 30 ADEEMO C=CC[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 886833175 583502646 /nfs/dbraw/zinc/50/26/46/583502646.db2.gz URYBEGDSXWHTHP-QWRGUYRKSA-N 1 1 181.279 1.673 10 30 ADEEMO C#CC[N@H+]1CC[C@H]([C@H]2CCCO2)C1 886835734 583502741 /nfs/dbraw/zinc/50/27/41/583502741.db2.gz PRCJZDMBFMKTNG-WDEREUQCSA-N 1 1 179.263 1.121 10 30 ADEEMO C=CC[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 886833173 583502766 /nfs/dbraw/zinc/50/27/66/583502766.db2.gz URYBEGDSXWHTHP-GHMZBOCLSA-N 1 1 181.279 1.673 10 30 ADEEMO C#CC[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 886835733 583502820 /nfs/dbraw/zinc/50/28/20/583502820.db2.gz PRCJZDMBFMKTNG-QWRGUYRKSA-N 1 1 179.263 1.121 10 30 ADEEMO C#CC[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 886835731 583502883 /nfs/dbraw/zinc/50/28/83/583502883.db2.gz PRCJZDMBFMKTNG-GHMZBOCLSA-N 1 1 179.263 1.121 10 30 ADEEMO C=CC[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 886833174 583503358 /nfs/dbraw/zinc/50/33/58/583503358.db2.gz URYBEGDSXWHTHP-MNOVXSKESA-N 1 1 181.279 1.673 10 30 ADEEMO C#CCC[NH2+][C@@H](C)c1ncc(C)o1 220941602 583503594 /nfs/dbraw/zinc/50/35/94/583503594.db2.gz UKBBBTPOYLQZCH-VIFPVBQESA-N 1 1 178.235 1.657 10 30 ADEEMO C#CCCC[N@H+]1CC[C@H](C)[C@@H](OC)C1 221134925 583503624 /nfs/dbraw/zinc/50/36/24/583503624.db2.gz WLAPHBLBBWSIDI-RYUDHWBXSA-N 1 1 195.306 1.757 10 30 ADEEMO C=CCN1CCCC[C@]2(CC[NH2+]C2)C1 886865687 583503755 /nfs/dbraw/zinc/50/37/55/583503755.db2.gz RMAJHQDXFXBWPW-GFCCVEGCSA-N 1 1 194.322 1.638 10 30 ADEEMO C#CCC[NH2+][C@H](C)c1ncc(C)o1 220941664 583503773 /nfs/dbraw/zinc/50/37/73/583503773.db2.gz UKBBBTPOYLQZCH-SECBINFHSA-N 1 1 178.235 1.657 10 30 ADEEMO C#CCCC[N@H+]1CC[C@@H](C)[C@@H](OC)C1 221134859 583503978 /nfs/dbraw/zinc/50/39/78/583503978.db2.gz WLAPHBLBBWSIDI-NEPJUHHUSA-N 1 1 195.306 1.757 10 30 ADEEMO C=CCN1CCCC[C@@]2(CC[NH2+]C2)C1 886865688 583504444 /nfs/dbraw/zinc/50/44/44/583504444.db2.gz RMAJHQDXFXBWPW-LBPRGKRZSA-N 1 1 194.322 1.638 10 30 ADEEMO C=C(C)[C@@H](CO)[N@@H+](C)CCCF 887141400 583506117 /nfs/dbraw/zinc/50/61/17/583506117.db2.gz RJJOEKMMPPJNSA-SECBINFHSA-N 1 1 175.247 1.215 10 30 ADEEMO C=C(C)[C@H](CO)[N@@H+](C)CCCF 887141401 583506249 /nfs/dbraw/zinc/50/62/49/583506249.db2.gz RJJOEKMMPPJNSA-VIFPVBQESA-N 1 1 175.247 1.215 10 30 ADEEMO C[C@H]1C[N@@H+](CCCC#N)CCCO1 61918345 490016384 /nfs/dbraw/zinc/01/63/84/490016384.db2.gz FIJIFYJJSUESHZ-JTQLQIEISA-N 1 1 182.267 1.401 10 30 ADEEMO C[C@@H]1C[N@@H+](CCCC#N)CCCO1 61918344 490016419 /nfs/dbraw/zinc/01/64/19/490016419.db2.gz FIJIFYJJSUESHZ-SNVBAGLBSA-N 1 1 182.267 1.401 10 30 ADEEMO C=CC[N@H+](CCO)C1CCC1 220508087 490074815 /nfs/dbraw/zinc/07/48/15/490074815.db2.gz CSFQPJFZKWSFTH-UHFFFAOYSA-N 1 1 155.241 1.019 10 30 ADEEMO C=C(C)C[N@@H+](CCO)C1CCC1 221152240 490077764 /nfs/dbraw/zinc/07/77/64/490077764.db2.gz BWLNGULPVHZEBU-UHFFFAOYSA-N 1 1 169.268 1.409 10 30 ADEEMO C=C(CC)C[N@@H+](C)CCCO 300741394 490099060 /nfs/dbraw/zinc/09/90/60/490099060.db2.gz ATBVWCNEMFVRCE-UHFFFAOYSA-N 1 1 157.257 1.267 10 30 ADEEMO C=C(C)CC[N@@H+](C)CCCO 300742448 490099668 /nfs/dbraw/zinc/09/96/68/490099668.db2.gz BITLSBFHUPBYQE-UHFFFAOYSA-N 1 1 157.257 1.267 10 30 ADEEMO C=CCC[N@@H+]1CC[C@H]2CN(C)C[C@H]21 307373588 490131470 /nfs/dbraw/zinc/13/14/70/490131470.db2.gz SJTCLRYVHJDAHP-WDEREUQCSA-N 1 1 180.295 1.198 10 30 ADEEMO C=CCC[N@@H+]1CC[C@@H]2CN(C)C[C@@H]21 307373586 490131453 /nfs/dbraw/zinc/13/14/53/490131453.db2.gz SJTCLRYVHJDAHP-MNOVXSKESA-N 1 1 180.295 1.198 10 30 ADEEMO C=CCC[N@@H+]1CC[C@@H]2CN(C)C[C@H]21 307373585 490131515 /nfs/dbraw/zinc/13/15/15/490131515.db2.gz SJTCLRYVHJDAHP-GHMZBOCLSA-N 1 1 180.295 1.198 10 30 ADEEMO C=CCC[N@@H+]1CC[C@H]2CN(C)C[C@@H]21 307373587 490131813 /nfs/dbraw/zinc/13/18/13/490131813.db2.gz SJTCLRYVHJDAHP-QWRGUYRKSA-N 1 1 180.295 1.198 10 30 ADEEMO CCC[N@H+](C)Cc1ccncc1C#N 592068171 490161518 /nfs/dbraw/zinc/16/15/18/490161518.db2.gz WKKKURXJFHFQIS-UHFFFAOYSA-N 1 1 189.262 1.795 10 30 ADEEMO CCC[N@@H+](C)Cc1ccncc1C#N 592068171 490161524 /nfs/dbraw/zinc/16/15/24/490161524.db2.gz WKKKURXJFHFQIS-UHFFFAOYSA-N 1 1 189.262 1.795 10 30 ADEEMO N#C[C@@H]1CCC[N@H+]2CCCC[C@@H]12 82404179 491022151 /nfs/dbraw/zinc/02/21/51/491022151.db2.gz NXSJJHAEJAQDGI-UWVGGRQHSA-N 1 1 164.252 1.774 10 30 ADEEMO N#C[C@H]1CCC[N@H+]2CCCC[C@@H]12 82404178 491022188 /nfs/dbraw/zinc/02/21/88/491022188.db2.gz NXSJJHAEJAQDGI-ZJUUUORDSA-N 1 1 164.252 1.774 10 30 ADEEMO C=C(CC)C[N@@H+](C)CC(C)(C)O 86274663 491029027 /nfs/dbraw/zinc/02/90/27/491029027.db2.gz FRNPEGICBNGXST-UHFFFAOYSA-N 1 1 171.284 1.655 10 30 ADEEMO C=CCCCN(C)CC(C)(C)[NH3+] 220267878 491040511 /nfs/dbraw/zinc/04/05/11/491040511.db2.gz GLIMAOKXFNZQBU-UHFFFAOYSA-N 1 1 170.300 1.622 10 30 ADEEMO C=CCCC[N@@H+](C)CC(C)(C)N 220267878 491040512 /nfs/dbraw/zinc/04/05/12/491040512.db2.gz GLIMAOKXFNZQBU-UHFFFAOYSA-N 1 1 170.300 1.622 10 30 ADEEMO C=CCCC[N@H+](C)CC(C)(C)N 220267878 491040513 /nfs/dbraw/zinc/04/05/13/491040513.db2.gz GLIMAOKXFNZQBU-UHFFFAOYSA-N 1 1 170.300 1.622 10 30 ADEEMO CC#CC[N@@H+](C)CCCCCO 227119832 491043399 /nfs/dbraw/zinc/04/33/99/491043399.db2.gz CEXOKNRVERZXSA-UHFFFAOYSA-N 1 1 169.268 1.104 10 30 ADEEMO C=CCC[N@@H+]1CC[C@H](C)[C@@H]1CO 227188669 491043464 /nfs/dbraw/zinc/04/34/64/491043464.db2.gz AJHKPXFQLSQVJY-UWVGGRQHSA-N 1 1 169.268 1.265 10 30 ADEEMO C=CCC[N@@H+]1CC[C@@H](C)[C@@H]1CO 227188665 491043488 /nfs/dbraw/zinc/04/34/88/491043488.db2.gz AJHKPXFQLSQVJY-ZJUUUORDSA-N 1 1 169.268 1.265 10 30 ADEEMO C=C(C)[C@H](CO)[N@@H+]1CC[C@@H](C)[C@@H]1C 306291948 491048109 /nfs/dbraw/zinc/04/81/09/491048109.db2.gz RQBPBPCBNBNBTP-VWYCJHECSA-N 1 1 183.295 1.654 10 30 ADEEMO C=CC[NH2+][C@H](C)c1cscn1 229109682 491044963 /nfs/dbraw/zinc/04/49/63/491044963.db2.gz XREUEPNLPJTYDX-SSDOTTSWSA-N 1 1 168.265 1.980 10 30 ADEEMO C=CC[NH2+][C@@H](C)c1cscn1 229109691 491045032 /nfs/dbraw/zinc/04/50/32/491045032.db2.gz XREUEPNLPJTYDX-ZETCQYMHSA-N 1 1 168.265 1.980 10 30 ADEEMO C[C@H]1C[N@H+](CCCCC#N)CCC1=O 229512312 491045225 /nfs/dbraw/zinc/04/52/25/491045225.db2.gz AORRXHNGWAAXFI-JTQLQIEISA-N 1 1 194.278 1.591 10 30 ADEEMO C[C@H]1C[N@@H+](CCCCC#N)CCC1=O 229512312 491045226 /nfs/dbraw/zinc/04/52/26/491045226.db2.gz AORRXHNGWAAXFI-JTQLQIEISA-N 1 1 194.278 1.591 10 30 ADEEMO C[C@@H]1C[N@H+](CCCCC#N)CCC1=O 229512302 491045293 /nfs/dbraw/zinc/04/52/93/491045293.db2.gz AORRXHNGWAAXFI-SNVBAGLBSA-N 1 1 194.278 1.591 10 30 ADEEMO C[C@@H]1C[N@@H+](CCCCC#N)CCC1=O 229512302 491045294 /nfs/dbraw/zinc/04/52/94/491045294.db2.gz AORRXHNGWAAXFI-SNVBAGLBSA-N 1 1 194.278 1.591 10 30 ADEEMO C=CCCC[N@H+]1CCC(=O)[C@@H](C)C1 229509504 491045322 /nfs/dbraw/zinc/04/53/22/491045322.db2.gz ZRBSLTYPOGFEDJ-JTQLQIEISA-N 1 1 181.279 1.864 10 30 ADEEMO C=CCCC[N@H+]1CCC(=O)[C@H](C)C1 229509492 491045360 /nfs/dbraw/zinc/04/53/60/491045360.db2.gz ZRBSLTYPOGFEDJ-SNVBAGLBSA-N 1 1 181.279 1.864 10 30 ADEEMO CC#CC[N@H+](C)[C@H]1C[C@@H](OC)C1 306171294 491046285 /nfs/dbraw/zinc/04/62/85/491046285.db2.gz ZPAZABWJPDRJET-AOOOYVTPSA-N 1 1 167.252 1.119 10 30 ADEEMO C=C(C)[C@H](CO)[N@@H+]1CC[C@H](C)[C@H]1C 306291943 491048021 /nfs/dbraw/zinc/04/80/21/491048021.db2.gz RQBPBPCBNBNBTP-AXFHLTTASA-N 1 1 183.295 1.654 10 30 ADEEMO C=C(C)[C@@H](CO)[N@@H+]1CCC=C(F)C1 306290796 491048040 /nfs/dbraw/zinc/04/80/40/491048040.db2.gz RCOVFNFEZHYYPR-SNVBAGLBSA-N 1 1 185.242 1.483 10 30 ADEEMO C=C(C)[C@@H](CO)[N@H+]1CCC=C(F)C1 306290796 491048041 /nfs/dbraw/zinc/04/80/41/491048041.db2.gz RCOVFNFEZHYYPR-SNVBAGLBSA-N 1 1 185.242 1.483 10 30 ADEEMO C=C(C)[C@H](CO)[N@@H+]1CCC=C(F)C1 306290795 491048048 /nfs/dbraw/zinc/04/80/48/491048048.db2.gz RCOVFNFEZHYYPR-JTQLQIEISA-N 1 1 185.242 1.483 10 30 ADEEMO C=C(C)[C@H](CO)[N@H+]1CCC=C(F)C1 306290795 491048049 /nfs/dbraw/zinc/04/80/49/491048049.db2.gz RCOVFNFEZHYYPR-JTQLQIEISA-N 1 1 185.242 1.483 10 30 ADEEMO C=C(C)[C@@H](CO)[N@H+]1[C@@H](C)C[C@H]1C 306293194 491048061 /nfs/dbraw/zinc/04/80/61/491048061.db2.gz UHRZGUITTGKIKJ-KXUCPTDWSA-N 1 1 169.268 1.406 10 30 ADEEMO C=C(C)[C@H](CO)[N@H+]1[C@@H](C)C[C@H]1C 306293191 491048091 /nfs/dbraw/zinc/04/80/91/491048091.db2.gz UHRZGUITTGKIKJ-AEJSXWLSSA-N 1 1 169.268 1.406 10 30 ADEEMO C=C(C)[C@H](CO)[N@@H+]1CC[C@H](C)[C@@H]1C 306291945 491048149 /nfs/dbraw/zinc/04/81/49/491048149.db2.gz RQBPBPCBNBNBTP-DCAQKATOSA-N 1 1 183.295 1.654 10 30 ADEEMO C=C(C)[C@H](CO)[N@@H+]1CC[C@@H](C)[C@H]1C 306291946 491048159 /nfs/dbraw/zinc/04/81/59/491048159.db2.gz RQBPBPCBNBNBTP-MXWKQRLJSA-N 1 1 183.295 1.654 10 30 ADEEMO CCC#C[C@@H](C)[N@H+]1CC[C@H](CO)C1 306420578 491050567 /nfs/dbraw/zinc/05/05/67/491050567.db2.gz GDTCUQJDRMGNNR-MNOVXSKESA-N 1 1 181.279 1.103 10 30 ADEEMO CCC#C[C@@H](C)[N@H+]1CC[C@@H](CO)C1 306420577 491050572 /nfs/dbraw/zinc/05/05/72/491050572.db2.gz GDTCUQJDRMGNNR-GHMZBOCLSA-N 1 1 181.279 1.103 10 30 ADEEMO CC#CC[N@@H+]1CC(C)=C[C@@H](C)C1 306420482 491050646 /nfs/dbraw/zinc/05/06/46/491050646.db2.gz ZRTNHVFXWHFPCC-SNVBAGLBSA-N 1 1 163.264 1.908 10 30 ADEEMO CC#CC[N@@H+]1CC(C)=C[C@H](C)C1 306420481 491050662 /nfs/dbraw/zinc/05/06/62/491050662.db2.gz ZRTNHVFXWHFPCC-JTQLQIEISA-N 1 1 163.264 1.908 10 30 ADEEMO CCC#C[C@H](C)[N@H+]1CC[C@H](CO)C1 306420579 491050752 /nfs/dbraw/zinc/05/07/52/491050752.db2.gz GDTCUQJDRMGNNR-QWRGUYRKSA-N 1 1 181.279 1.103 10 30 ADEEMO CCC#C[C@H](C)[N@H+]1CC[C@@H](CO)C1 306420580 491050784 /nfs/dbraw/zinc/05/07/84/491050784.db2.gz GDTCUQJDRMGNNR-WDEREUQCSA-N 1 1 181.279 1.103 10 30 ADEEMO C=CC[N@H+]1CCC12CCOCC2 306432010 491051023 /nfs/dbraw/zinc/05/10/23/491051023.db2.gz SDMXTIZYFZOEHI-UHFFFAOYSA-N 1 1 167.252 1.427 10 30 ADEEMO C=CC[N@H+](C)CC1(F)CC1 306634616 491054249 /nfs/dbraw/zinc/05/42/49/491054249.db2.gz WLFJZEJQBSOFNI-UHFFFAOYSA-N 1 1 143.205 1.606 10 30 ADEEMO C=CCC[N@H+]1CCc2c[nH]nc2C1 307201479 491059268 /nfs/dbraw/zinc/05/92/68/491059268.db2.gz CQNZJIXGLPIBKQ-UHFFFAOYSA-N 1 1 177.251 1.344 10 30 ADEEMO C=CCC[N@@H+]1CCc2cn[nH]c2C1 307201479 491059269 /nfs/dbraw/zinc/05/92/69/491059269.db2.gz CQNZJIXGLPIBKQ-UHFFFAOYSA-N 1 1 177.251 1.344 10 30 ADEEMO C=CCC[N@H+]1CCc2cn[nH]c2C1 307201479 491059270 /nfs/dbraw/zinc/05/92/70/491059270.db2.gz CQNZJIXGLPIBKQ-UHFFFAOYSA-N 1 1 177.251 1.344 10 30 ADEEMO C=CC[N@@H+]1C[C@H](C)O[C@H](C)[C@@H]1C 306783405 491055798 /nfs/dbraw/zinc/05/57/98/491055798.db2.gz GOYLCRKUUPFTHG-LPEHRKFASA-N 1 1 169.268 1.670 10 30 ADEEMO C=CC[N@@H+]1C[C@H](C)O[C@H](C)[C@H]1C 306783402 491055816 /nfs/dbraw/zinc/05/58/16/491055816.db2.gz GOYLCRKUUPFTHG-IVZWLZJFSA-N 1 1 169.268 1.670 10 30 ADEEMO C=CC[N@@H+]1C[C@H](C)O[C@@H](C)[C@H]1C 306783397 491055825 /nfs/dbraw/zinc/05/58/25/491055825.db2.gz GOYLCRKUUPFTHG-AEJSXWLSSA-N 1 1 169.268 1.670 10 30 ADEEMO C=CC[N@@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C 306783400 491055872 /nfs/dbraw/zinc/05/58/72/491055872.db2.gz GOYLCRKUUPFTHG-GUBZILKMSA-N 1 1 169.268 1.670 10 30 ADEEMO C=CCN1CC[N@H+](CC)[C@H](C)C1 306962228 491057141 /nfs/dbraw/zinc/05/71/41/491057141.db2.gz BFUNMAIXUDBFMP-SNVBAGLBSA-N 1 1 168.284 1.198 10 30 ADEEMO C=CC[N@@H+]1CCN(CC)[C@H](C)C1 306962228 491057143 /nfs/dbraw/zinc/05/71/43/491057143.db2.gz BFUNMAIXUDBFMP-SNVBAGLBSA-N 1 1 168.284 1.198 10 30 ADEEMO C=CCN1CC[N@H+](CC)[C@@H](C)C1 306962222 491057150 /nfs/dbraw/zinc/05/71/50/491057150.db2.gz BFUNMAIXUDBFMP-JTQLQIEISA-N 1 1 168.284 1.198 10 30 ADEEMO C=CC[N@@H+]1CCN(CC)[C@@H](C)C1 306962222 491057152 /nfs/dbraw/zinc/05/71/52/491057152.db2.gz BFUNMAIXUDBFMP-JTQLQIEISA-N 1 1 168.284 1.198 10 30 ADEEMO C=CCC[N@@H+]1C[C@H](O)CC[C@H]1C 306976866 491057385 /nfs/dbraw/zinc/05/73/85/491057385.db2.gz DSYDGANVBWIGHU-NXEZZACHSA-N 1 1 169.268 1.408 10 30 ADEEMO C=CCC[N@@H+]1C[C@@H](O)CC[C@H]1C 306976869 491057440 /nfs/dbraw/zinc/05/74/40/491057440.db2.gz DSYDGANVBWIGHU-ZJUUUORDSA-N 1 1 169.268 1.408 10 30 ADEEMO C=CCC[N@@H+]1C[C@H](O)CC[C@@H]1C 306976867 491057567 /nfs/dbraw/zinc/05/75/67/491057567.db2.gz DSYDGANVBWIGHU-VHSXEESVSA-N 1 1 169.268 1.408 10 30 ADEEMO C=CC[N@H+]1CC[C@@]2(CCCOC2)C1 307017778 491057884 /nfs/dbraw/zinc/05/78/84/491057884.db2.gz QHAKUNFUJYGAIE-NSHDSACASA-N 1 1 181.279 1.675 10 30 ADEEMO C=CC[N@H+]1CC[C@]2(CCCOC2)C1 307017776 491057960 /nfs/dbraw/zinc/05/79/60/491057960.db2.gz QHAKUNFUJYGAIE-LLVKDONJSA-N 1 1 181.279 1.675 10 30 ADEEMO C=C(C)C[N@H+]1CCC[C@]1(C)CO 307073633 491058368 /nfs/dbraw/zinc/05/83/68/491058368.db2.gz ABOXTITZMDERRO-SNVBAGLBSA-N 1 1 169.268 1.409 10 30 ADEEMO C=C(C)C[N@H+]1CCC[C@@]1(C)CO 307073627 491058379 /nfs/dbraw/zinc/05/83/79/491058379.db2.gz ABOXTITZMDERRO-JTQLQIEISA-N 1 1 169.268 1.409 10 30 ADEEMO C=CC[N@H+]1CCn2cc(C)nc2C1 307193282 491059193 /nfs/dbraw/zinc/05/91/93/491059193.db2.gz NSCVGJSFNIADGE-UHFFFAOYSA-N 1 1 177.251 1.193 10 30 ADEEMO C=CC[N@@H+]1CCn2cc(C)nc2C1 307193282 491059194 /nfs/dbraw/zinc/05/91/94/491059194.db2.gz NSCVGJSFNIADGE-UHFFFAOYSA-N 1 1 177.251 1.193 10 30 ADEEMO C=CC[N@@H+]1CC[C@H](C)[C@H](F)C1 307296813 491060230 /nfs/dbraw/zinc/06/02/30/491060230.db2.gz REPCMCRWFFZYIU-DTWKUNHWSA-N 1 1 157.232 1.852 10 30 ADEEMO C=CC[N@@H+]1CC[C@@H](C)[C@@H](F)C1 307296811 491060292 /nfs/dbraw/zinc/06/02/92/491060292.db2.gz REPCMCRWFFZYIU-BDAKNGLRSA-N 1 1 157.232 1.852 10 30 ADEEMO C=CC[N@@H+]1CC[C@H](C)[C@@H](F)C1 307296815 491060311 /nfs/dbraw/zinc/06/03/11/491060311.db2.gz REPCMCRWFFZYIU-IUCAKERBSA-N 1 1 157.232 1.852 10 30 ADEEMO C=CC[N@@H+]1CC[C@@H](C)[C@H](F)C1 307296817 491060315 /nfs/dbraw/zinc/06/03/15/491060315.db2.gz REPCMCRWFFZYIU-RKDXNWHRSA-N 1 1 157.232 1.852 10 30 ADEEMO C=CCC[N@H+]1CCC12CCOCC2 307452933 491061922 /nfs/dbraw/zinc/06/19/22/491061922.db2.gz UIDFLCSKQUHMGH-UHFFFAOYSA-N 1 1 181.279 1.817 10 30 ADEEMO C=C(C)[C@H](CO)[N@H+]1CCC=C(C)C1 307508355 491062958 /nfs/dbraw/zinc/06/29/58/491062958.db2.gz AJUMCUNKLJURBF-NSHDSACASA-N 1 1 181.279 1.575 10 30 ADEEMO C=C(C)[C@@H](CO)[N@H+]1CCC=C(C)C1 307508354 491063009 /nfs/dbraw/zinc/06/30/09/491063009.db2.gz AJUMCUNKLJURBF-LLVKDONJSA-N 1 1 181.279 1.575 10 30 ADEEMO CC#CC[N@H+]1C[C@H](C)O[C@H](C)[C@@H]1C 307533845 491063510 /nfs/dbraw/zinc/06/35/10/491063510.db2.gz HJRLKUVEVJYTJE-GARJFASQSA-N 1 1 181.279 1.507 10 30 ADEEMO CC#CC[N@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C 307533842 491063534 /nfs/dbraw/zinc/06/35/34/491063534.db2.gz HJRLKUVEVJYTJE-DCAQKATOSA-N 1 1 181.279 1.507 10 30 ADEEMO CC#CC[N@H+]1C[C@H](C)O[C@@H](C)[C@H]1C 307533837 491063570 /nfs/dbraw/zinc/06/35/70/491063570.db2.gz HJRLKUVEVJYTJE-AXFHLTTASA-N 1 1 181.279 1.507 10 30 ADEEMO CC#CC[N@H+]1C[C@H](C)O[C@H](C)[C@H]1C 307533849 491063644 /nfs/dbraw/zinc/06/36/44/491063644.db2.gz HJRLKUVEVJYTJE-HBNTYKKESA-N 1 1 181.279 1.507 10 30 ADEEMO C=CC[N@@H+]1CC[C@H](C(F)F)C1 307545681 491063719 /nfs/dbraw/zinc/06/37/19/491063719.db2.gz YDFBOKKJBXVXAU-ZETCQYMHSA-N 1 1 161.195 1.759 10 30 ADEEMO C=CC[N@@H+]1CC[C@@H](C(F)F)C1 307545680 491063726 /nfs/dbraw/zinc/06/37/26/491063726.db2.gz YDFBOKKJBXVXAU-SSDOTTSWSA-N 1 1 161.195 1.759 10 30 ADEEMO C=C(C)C[N@H+](C)CCC#CC 307558301 491063952 /nfs/dbraw/zinc/06/39/52/491063952.db2.gz DFTMONGFOLBFHT-UHFFFAOYSA-N 1 1 151.253 1.908 10 30 ADEEMO C=C[C@H](C)[NH2+]Cc1cocn1 307631258 491065861 /nfs/dbraw/zinc/06/58/61/491065861.db2.gz XXWKUOMLPSLRBN-ZETCQYMHSA-N 1 1 152.197 1.339 10 30 ADEEMO C=C[C@@H](C)[NH2+]Cc1cocn1 307631257 491065966 /nfs/dbraw/zinc/06/59/66/491065966.db2.gz XXWKUOMLPSLRBN-SSDOTTSWSA-N 1 1 152.197 1.339 10 30 ADEEMO C=C(C)C[NH2+]Cc1cocn1 307642872 491066293 /nfs/dbraw/zinc/06/62/93/491066293.db2.gz NKGRMWJBXSUQJB-UHFFFAOYSA-N 1 1 152.197 1.340 10 30 ADEEMO C=CC[N@H+](C)[C@H]1C[C@@H](OC)C1 307674284 491067060 /nfs/dbraw/zinc/06/70/60/491067060.db2.gz BAHCSSKCOHZYCZ-DTORHVGOSA-N 1 1 155.241 1.282 10 30 ADEEMO C=C(C)C[N@H+](C)CC1(F)CC1 307683410 491067467 /nfs/dbraw/zinc/06/74/67/491067467.db2.gz HCJUBLGKTJWXIE-UHFFFAOYSA-N 1 1 157.232 1.996 10 30 ADEEMO COCC#CC[N@H+]1[C@@H](C)C[C@H]1C 307693629 491068203 /nfs/dbraw/zinc/06/82/03/491068203.db2.gz UPPKUYFEKVDOHL-AOOOYVTPSA-N 1 1 167.252 1.119 10 30 ADEEMO C=CCC[N@H+](C)C1CC(O)C1 307726547 491069166 /nfs/dbraw/zinc/06/91/66/491069166.db2.gz DHMKIIFOZWJAII-UHFFFAOYSA-N 1 1 155.241 1.018 10 30 ADEEMO CCC#C[C@H](C)[N@@H+](C)C1CC(O)C1 307749433 491070044 /nfs/dbraw/zinc/07/00/44/491070044.db2.gz GPWWLTYMYQORJX-WHXUTIOJSA-N 1 1 181.279 1.243 10 30 ADEEMO C=C(C)[C@H](CO)[N@@H+]1CC=CCC1 307749416 491070048 /nfs/dbraw/zinc/07/00/48/491070048.db2.gz GNCKSKIYBIZBLI-JTQLQIEISA-N 1 1 167.252 1.185 10 30 ADEEMO CCC#C[C@@H](C)[N@@H+](C)C1CC(O)C1 307749432 491070090 /nfs/dbraw/zinc/07/00/90/491070090.db2.gz GPWWLTYMYQORJX-KPPDAEKUSA-N 1 1 181.279 1.243 10 30 ADEEMO C=C(C)[C@@H](CO)[N@@H+]1CC=CCC1 307749417 491070120 /nfs/dbraw/zinc/07/01/20/491070120.db2.gz GNCKSKIYBIZBLI-SNVBAGLBSA-N 1 1 167.252 1.185 10 30 ADEEMO C=CCC[N@H+](C)C1(CO)CC1 307919916 491071317 /nfs/dbraw/zinc/07/13/17/491071317.db2.gz HWMAGZRFCYDVON-UHFFFAOYSA-N 1 1 155.241 1.019 10 30 ADEEMO C=C(C)CC[N@H+](C)CCOC 307912804 491071329 /nfs/dbraw/zinc/07/13/29/491071329.db2.gz YHBPFXLAALMKOP-UHFFFAOYSA-N 1 1 157.257 1.531 10 30 ADEEMO C=C(C)C[N@@H+](C)CCCCO 307914417 491071372 /nfs/dbraw/zinc/07/13/72/491071372.db2.gz BATMBZMGFOOWSO-UHFFFAOYSA-N 1 1 157.257 1.267 10 30 ADEEMO CC#CCC[N@@H+](C)CCCCO 307929216 491071523 /nfs/dbraw/zinc/07/15/23/491071523.db2.gz BAXBPRXWILSMIR-UHFFFAOYSA-N 1 1 169.268 1.104 10 30 ADEEMO C=CC[N@H+](C)C[C@H](C)COC 307932565 491071529 /nfs/dbraw/zinc/07/15/29/491071529.db2.gz WFKBDTHRZFVIDI-VIFPVBQESA-N 1 1 157.257 1.387 10 30 ADEEMO C=CC[N@H+](C)C[C@@H](C)COC 307932564 491071601 /nfs/dbraw/zinc/07/16/01/491071601.db2.gz WFKBDTHRZFVIDI-SECBINFHSA-N 1 1 157.257 1.387 10 30 ADEEMO C=CC[N@H+](C[C@@H](O)CC)C1CC1 307938911 491071677 /nfs/dbraw/zinc/07/16/77/491071677.db2.gz ANSCWJHABULXIT-JTQLQIEISA-N 1 1 169.268 1.408 10 30 ADEEMO C=CC[N@H+](C[C@H](O)CC)C1CC1 307938912 491071735 /nfs/dbraw/zinc/07/17/35/491071735.db2.gz ANSCWJHABULXIT-SNVBAGLBSA-N 1 1 169.268 1.408 10 30 ADEEMO C=CC[N@H+](C[C@H](C)CO)C1CC1 307947577 491072309 /nfs/dbraw/zinc/07/23/09/491072309.db2.gz LEAOSFHGSKXKFA-VIFPVBQESA-N 1 1 169.268 1.265 10 30 ADEEMO C=CC[N@H+](C[C@@H](C)CO)C1CC1 307947576 491072425 /nfs/dbraw/zinc/07/24/25/491072425.db2.gz LEAOSFHGSKXKFA-SECBINFHSA-N 1 1 169.268 1.265 10 30 ADEEMO C=C(C)[C@@H](CO)[N@H+](C)CCCC 307951353 491072520 /nfs/dbraw/zinc/07/25/20/491072520.db2.gz OLJSIWUYUFTUDV-SNVBAGLBSA-N 1 1 171.284 1.655 10 30 ADEEMO C=C(C)[C@H](CO)[N@H+](C)CCCC 307951352 491072596 /nfs/dbraw/zinc/07/25/96/491072596.db2.gz OLJSIWUYUFTUDV-JTQLQIEISA-N 1 1 171.284 1.655 10 30 ADEEMO C=CC[N@H+](C)[C@H](CO)CC(C)C 307954936 491072723 /nfs/dbraw/zinc/07/27/23/491072723.db2.gz QSWGJKBTPHVIED-JTQLQIEISA-N 1 1 171.284 1.511 10 30 ADEEMO C=CC[N@H+](C)[C@@H](CO)CC(C)C 307954938 491072845 /nfs/dbraw/zinc/07/28/45/491072845.db2.gz QSWGJKBTPHVIED-SNVBAGLBSA-N 1 1 171.284 1.511 10 30 ADEEMO C=CCC[C@H](O)C[N@H+](C)C1CC1 307967364 491073411 /nfs/dbraw/zinc/07/34/11/491073411.db2.gz CYUSMTYYAVHTKV-JTQLQIEISA-N 1 1 169.268 1.408 10 30 ADEEMO C=CCC[C@@H](O)C[N@H+](C)C1CC1 307967365 491073493 /nfs/dbraw/zinc/07/34/93/491073493.db2.gz CYUSMTYYAVHTKV-SNVBAGLBSA-N 1 1 169.268 1.408 10 30 ADEEMO C=C(C)CC[N@@H+](C)CCCCO 307972749 491073853 /nfs/dbraw/zinc/07/38/53/491073853.db2.gz IIBVGVLDDODHHG-UHFFFAOYSA-N 1 1 171.284 1.657 10 30 ADEEMO C=CC[N@H+](C)C1CC(OCC)C1 307970339 491073985 /nfs/dbraw/zinc/07/39/85/491073985.db2.gz GNWYIQUXMZGGTR-UHFFFAOYSA-N 1 1 169.268 1.672 10 30 ADEEMO C=CCC[N@H+](C)Cc1cn[nH]c1 307970377 491073990 /nfs/dbraw/zinc/07/39/90/491073990.db2.gz GQGDFXWNVWYZDI-UHFFFAOYSA-N 1 1 165.240 1.418 10 30 ADEEMO C=C(C)C[N@H+](C)C[C@](C)(O)CC 308013694 491076046 /nfs/dbraw/zinc/07/60/46/491076046.db2.gz GSMXMIFWVNCPMS-SNVBAGLBSA-N 1 1 171.284 1.655 10 30 ADEEMO C=CCC[N@H+](C)[C@@H](CO)C(=C)C 307979464 491074570 /nfs/dbraw/zinc/07/45/70/491074570.db2.gz NTRVZJBBEMYEEI-JTQLQIEISA-N 1 1 169.268 1.431 10 30 ADEEMO C=CCC[N@H+](C)[C@H](CO)C(=C)C 307979465 491074619 /nfs/dbraw/zinc/07/46/19/491074619.db2.gz NTRVZJBBEMYEEI-SNVBAGLBSA-N 1 1 169.268 1.431 10 30 ADEEMO C=CCC[N@@H+](C)Cc1cocn1 307992811 491074936 /nfs/dbraw/zinc/07/49/36/491074936.db2.gz URCJLSPUYTYUCO-UHFFFAOYSA-N 1 1 166.224 1.683 10 30 ADEEMO C=CCC[N@H+](C)Cc1cocn1 307992811 491074938 /nfs/dbraw/zinc/07/49/38/491074938.db2.gz URCJLSPUYTYUCO-UHFFFAOYSA-N 1 1 166.224 1.683 10 30 ADEEMO C=C(CC)C[N@@H+](C)CCCOC 308003777 491075613 /nfs/dbraw/zinc/07/56/13/491075613.db2.gz CCUKJPSMDYGIGE-UHFFFAOYSA-N 1 1 171.284 1.921 10 30 ADEEMO C=CCC[N@H+](C)CC1(CO)CC1 308007493 491075798 /nfs/dbraw/zinc/07/57/98/491075798.db2.gz IOZYKJKPVZWLJC-UHFFFAOYSA-N 1 1 169.268 1.267 10 30 ADEEMO C=C(C)C[N@H+](C)C[C@@](C)(O)CC 308013693 491075968 /nfs/dbraw/zinc/07/59/68/491075968.db2.gz GSMXMIFWVNCPMS-JTQLQIEISA-N 1 1 171.284 1.655 10 30 ADEEMO C=C(C)CC[N@H+](C)C1CC(O)C1 308089380 491078024 /nfs/dbraw/zinc/07/80/24/491078024.db2.gz RRUNQXWLOZCJGE-UHFFFAOYSA-N 1 1 169.268 1.408 10 30 ADEEMO CCC[N@@H+](CC#CCOC)C1CC1 308216761 491085254 /nfs/dbraw/zinc/08/52/54/491085254.db2.gz AKBZGLSOBJIQNE-UHFFFAOYSA-N 1 1 181.279 1.511 10 30 ADEEMO C=CCC[N@H+](C)[C@@H](CO)CC(C)C 308224115 491085783 /nfs/dbraw/zinc/08/57/83/491085783.db2.gz DHKKQWLQWKAMRH-LLVKDONJSA-N 1 1 185.311 1.901 10 30 ADEEMO C=CCC[N@H+](C)[C@H](CO)CC(C)C 308224116 491085934 /nfs/dbraw/zinc/08/59/34/491085934.db2.gz DHKKQWLQWKAMRH-NSHDSACASA-N 1 1 185.311 1.901 10 30 ADEEMO C=C(C)C[N@H+](C)[C@H](CO)CC(C)C 308225498 491086070 /nfs/dbraw/zinc/08/60/70/491086070.db2.gz DPAIMILSCPJEPD-NSHDSACASA-N 1 1 185.311 1.901 10 30 ADEEMO C=C(C)C[N@H+](C)[C@@H](CO)CC(C)C 308225494 491086072 /nfs/dbraw/zinc/08/60/72/491086072.db2.gz DPAIMILSCPJEPD-LLVKDONJSA-N 1 1 185.311 1.901 10 30 ADEEMO C=CCN(C)C[C@@H]1CCC[N@@H+]1CC 308246390 491087387 /nfs/dbraw/zinc/08/73/87/491087387.db2.gz WHNYBIUUVGKHQP-NSHDSACASA-N 1 1 182.311 1.589 10 30 ADEEMO C=CCN(C)C[C@H]1CCC[N@@H+]1CC 308246389 491087390 /nfs/dbraw/zinc/08/73/90/491087390.db2.gz WHNYBIUUVGKHQP-LLVKDONJSA-N 1 1 182.311 1.589 10 30 ADEEMO C=CCC[N@@H+](C)CCN1CCCC1 308254154 491089123 /nfs/dbraw/zinc/08/91/23/491089123.db2.gz HWKVZLKMAJWDJV-UHFFFAOYSA-N 1 1 182.311 1.590 10 30 ADEEMO C=CCC[N@H+](C)CCN1CCCC1 308254154 491089124 /nfs/dbraw/zinc/08/91/24/491089124.db2.gz HWKVZLKMAJWDJV-UHFFFAOYSA-N 1 1 182.311 1.590 10 30 ADEEMO C=C(C)CC[N@H+](C)CC1(CO)CC1 308261383 491089575 /nfs/dbraw/zinc/08/95/75/491089575.db2.gz MQQVCOLWDBXALD-UHFFFAOYSA-N 1 1 183.295 1.657 10 30 ADEEMO C=C[C@@H]1CCCC[N@@H+]1C[C@H](C)CO 308264069 491089866 /nfs/dbraw/zinc/08/98/66/491089866.db2.gz OYDNSFZOBBWOFN-WDEREUQCSA-N 1 1 183.295 1.655 10 30 ADEEMO C=C[C@@H]1CCCC[N@@H+]1C[C@@H](C)CO 308264064 491089932 /nfs/dbraw/zinc/08/99/32/491089932.db2.gz OYDNSFZOBBWOFN-GHMZBOCLSA-N 1 1 183.295 1.655 10 30 ADEEMO C=C[C@H]1CCCC[N@@H+]1C[C@H](C)CO 308264068 491089955 /nfs/dbraw/zinc/08/99/55/491089955.db2.gz OYDNSFZOBBWOFN-QWRGUYRKSA-N 1 1 183.295 1.655 10 30 ADEEMO C=C[C@H]1CCCC[N@@H+]1C[C@@H](C)CO 308264066 491089982 /nfs/dbraw/zinc/08/99/82/491089982.db2.gz OYDNSFZOBBWOFN-MNOVXSKESA-N 1 1 183.295 1.655 10 30 ADEEMO C=CC[N@H+](C)CCC(=O)NC(C)C 308262278 491089984 /nfs/dbraw/zinc/08/99/84/491089984.db2.gz NWCYQRBEXUZHCP-UHFFFAOYSA-N 1 1 184.283 1.019 10 30 ADEEMO C=CCC[N@H+]1CC[C@@H](C)[C@H](OC)C1 308265661 491090016 /nfs/dbraw/zinc/09/00/16/491090016.db2.gz PFMSUYVMBBZCLD-GHMZBOCLSA-N 1 1 183.295 1.919 10 30 ADEEMO C=CCC[N@H+]1CC[C@@H](C)[C@@H](OC)C1 308265662 491090018 /nfs/dbraw/zinc/09/00/18/491090018.db2.gz PFMSUYVMBBZCLD-MNOVXSKESA-N 1 1 183.295 1.919 10 30 ADEEMO C=CCC[N@H+]1CC[C@H](C)[C@H](OC)C1 308265664 491090063 /nfs/dbraw/zinc/09/00/63/491090063.db2.gz PFMSUYVMBBZCLD-WDEREUQCSA-N 1 1 183.295 1.919 10 30 ADEEMO C=CCC[N@H+]1CC[C@H](C)[C@@H](OC)C1 308265663 491090178 /nfs/dbraw/zinc/09/01/78/491090178.db2.gz PFMSUYVMBBZCLD-QWRGUYRKSA-N 1 1 183.295 1.919 10 30 ADEEMO C=CCC[C@@H](O)C[N@H+]1[C@@H](C)C[C@H]1C 308269653 491090558 /nfs/dbraw/zinc/09/05/58/491090558.db2.gz RKCUMHSZNNYTBJ-OUAUKWLOSA-N 1 1 183.295 1.796 10 30 ADEEMO C=C(C)CC[N@H+]1CCC[C@@]1(C)CO 308270908 491090564 /nfs/dbraw/zinc/09/05/64/491090564.db2.gz SAHGBJWDQGRTGI-NSHDSACASA-N 1 1 183.295 1.799 10 30 ADEEMO C=C(C)CC[N@H+]1CCC[C@]1(C)CO 308270907 491090606 /nfs/dbraw/zinc/09/06/06/491090606.db2.gz SAHGBJWDQGRTGI-LLVKDONJSA-N 1 1 183.295 1.799 10 30 ADEEMO C=CCC[C@H](O)C[N@H+]1[C@@H](C)C[C@H]1C 308269650 491090673 /nfs/dbraw/zinc/09/06/73/491090673.db2.gz RKCUMHSZNNYTBJ-AXFHLTTASA-N 1 1 183.295 1.796 10 30 ADEEMO C=CCC[N@H+](C)Cc1cnccn1 308277643 491091505 /nfs/dbraw/zinc/09/15/05/491091505.db2.gz WJKHROQHHCMRNO-UHFFFAOYSA-N 1 1 177.251 1.485 10 30 ADEEMO C=C(C)[C@@H](CO)[N@@H+](CC)CC1CC1 308286842 491092821 /nfs/dbraw/zinc/09/28/21/491092821.db2.gz CIMWUBZOLONKMF-LLVKDONJSA-N 1 1 183.295 1.655 10 30 ADEEMO C=C(C)[C@H](CO)[N@@H+](CC)CC1CC1 308286844 491092835 /nfs/dbraw/zinc/09/28/35/491092835.db2.gz CIMWUBZOLONKMF-NSHDSACASA-N 1 1 183.295 1.655 10 30 ADEEMO CC#CCC[N@H+](CC)CCOCC 308291220 491093435 /nfs/dbraw/zinc/09/34/35/491093435.db2.gz DXDMJQRFSPBEFW-UHFFFAOYSA-N 1 1 183.295 1.758 10 30 ADEEMO C=C(CC)C[N@H+]1C[C@@H](F)C[C@@H]1CO 308291629 491093665 /nfs/dbraw/zinc/09/36/65/491093665.db2.gz HKWIOSDWFNZAGK-VHSXEESVSA-N 1 1 187.258 1.357 10 30 ADEEMO C=C(CC)C[N@H+]1C[C@@H](F)C[C@H]1CO 308291628 491093733 /nfs/dbraw/zinc/09/37/33/491093733.db2.gz HKWIOSDWFNZAGK-UWVGGRQHSA-N 1 1 187.258 1.357 10 30 ADEEMO C=C(CC)C[N@H+]1C[C@H](F)C[C@H]1CO 308291630 491093744 /nfs/dbraw/zinc/09/37/44/491093744.db2.gz HKWIOSDWFNZAGK-ZJUUUORDSA-N 1 1 187.258 1.357 10 30 ADEEMO C=C(CC)C[N@H+]1C[C@H](F)C[C@@H]1CO 308291627 491093800 /nfs/dbraw/zinc/09/38/00/491093800.db2.gz HKWIOSDWFNZAGK-NXEZZACHSA-N 1 1 187.258 1.357 10 30 ADEEMO C=C(C)CC[N@H+]1C[C@@H](F)C[C@H]1CO 308320223 491096464 /nfs/dbraw/zinc/09/64/64/491096464.db2.gz AQRSORODUYXUCO-UWVGGRQHSA-N 1 1 187.258 1.357 10 30 ADEEMO C=C(C)CC[N@H+]1C[C@H](F)C[C@@H]1CO 308320222 491096514 /nfs/dbraw/zinc/09/65/14/491096514.db2.gz AQRSORODUYXUCO-NXEZZACHSA-N 1 1 187.258 1.357 10 30 ADEEMO C=C(C)CC[N@H+]1C[C@H](F)C[C@H]1CO 308320225 491096535 /nfs/dbraw/zinc/09/65/35/491096535.db2.gz AQRSORODUYXUCO-ZJUUUORDSA-N 1 1 187.258 1.357 10 30 ADEEMO C=C(C)CC[N@H+]1C[C@@H](F)C[C@@H]1CO 308320224 491096575 /nfs/dbraw/zinc/09/65/75/491096575.db2.gz AQRSORODUYXUCO-VHSXEESVSA-N 1 1 187.258 1.357 10 30 ADEEMO CC#CC[N@@H+](C)[C@@H](CO)CC(C)C 308325077 491096965 /nfs/dbraw/zinc/09/69/65/491096965.db2.gz FDDICMNJVXGDQI-LLVKDONJSA-N 1 1 183.295 1.349 10 30 ADEEMO CC#CC[N@@H+](C)[C@H](CO)CC(C)C 308325078 491097028 /nfs/dbraw/zinc/09/70/28/491097028.db2.gz FDDICMNJVXGDQI-NSHDSACASA-N 1 1 183.295 1.349 10 30 ADEEMO C=CCC[N@H+]1CCO[C@H](C2CC2)C1 308326527 491097093 /nfs/dbraw/zinc/09/70/93/491097093.db2.gz GQJMFGRIJWCVDX-NSHDSACASA-N 1 1 181.279 1.673 10 30 ADEEMO C=CCC[N@H+]1CCO[C@@H](C2CC2)C1 308326525 491097177 /nfs/dbraw/zinc/09/71/77/491097177.db2.gz GQJMFGRIJWCVDX-LLVKDONJSA-N 1 1 181.279 1.673 10 30 ADEEMO C=CC[N@H+](C)[C@]1(CO)CC[C@H](C)C1 308329702 491097695 /nfs/dbraw/zinc/09/76/95/491097695.db2.gz JTNCXOIBHUVQBN-WDEREUQCSA-N 1 1 183.295 1.655 10 30 ADEEMO C=CC[N@H+](C)[C@]1(CO)CC[C@@H](C)C1 308329699 491097729 /nfs/dbraw/zinc/09/77/29/491097729.db2.gz JTNCXOIBHUVQBN-GHMZBOCLSA-N 1 1 183.295 1.655 10 30 ADEEMO C=CC[N@H+](C)[C@@]1(CO)CC[C@H](C)C1 308329701 491097754 /nfs/dbraw/zinc/09/77/54/491097754.db2.gz JTNCXOIBHUVQBN-QWRGUYRKSA-N 1 1 183.295 1.655 10 30 ADEEMO C=CC[N@H+](C)[C@@]1(CO)CC[C@@H](C)C1 308329700 491097791 /nfs/dbraw/zinc/09/77/91/491097791.db2.gz JTNCXOIBHUVQBN-MNOVXSKESA-N 1 1 183.295 1.655 10 30 ADEEMO C=C(C)C[N@H+](C)Cc1c[nH]nc1C 308393479 491100733 /nfs/dbraw/zinc/10/07/33/491100733.db2.gz CCEUNBZKARYPFY-UHFFFAOYSA-N 1 1 179.267 1.726 10 30 ADEEMO C=CC[N@H+](CC#CCOC)C1CC1 308398153 491101217 /nfs/dbraw/zinc/10/12/17/491101217.db2.gz FQPJFSLBVBUVJE-UHFFFAOYSA-N 1 1 179.263 1.287 10 30 ADEEMO C=CC[N@@H+]1CCC[C@@H](OC(F)F)C1 308409701 491101849 /nfs/dbraw/zinc/10/18/49/491101849.db2.gz NTNIOILSYXIDRZ-MRVPVSSYSA-N 1 1 191.221 1.876 10 30 ADEEMO C=CC[N@@H+]1CCC[C@H](OC(F)F)C1 308409703 491102243 /nfs/dbraw/zinc/10/22/43/491102243.db2.gz NTNIOILSYXIDRZ-QMMMGPOBSA-N 1 1 191.221 1.876 10 30 ADEEMO C=C(C)C[N@@H+](C)Cc1ccn(C)n1 308414711 491102531 /nfs/dbraw/zinc/10/25/31/491102531.db2.gz MTRRKWLTUPKRFH-UHFFFAOYSA-N 1 1 179.267 1.428 10 30 ADEEMO C=C(C)C[N@H+](C)Cc1ccn(C)n1 308414711 491102532 /nfs/dbraw/zinc/10/25/32/491102532.db2.gz MTRRKWLTUPKRFH-UHFFFAOYSA-N 1 1 179.267 1.428 10 30 ADEEMO C=C(C)CCN1CC[NH+](CC)CC1 308432419 491103613 /nfs/dbraw/zinc/10/36/13/491103613.db2.gz UKUPQFYVFBKOKN-UHFFFAOYSA-N 1 1 182.311 1.590 10 30 ADEEMO C=CC[N@H+](C)C[C@H](O)CC(F)(F)F 308425541 491103127 /nfs/dbraw/zinc/10/31/27/491103127.db2.gz QZYNNHZOEGAEQX-SSDOTTSWSA-N 1 1 197.200 1.418 10 30 ADEEMO C=CC[N@H+](C)C[C@@H](O)CC(F)(F)F 308425542 491103222 /nfs/dbraw/zinc/10/32/22/491103222.db2.gz QZYNNHZOEGAEQX-ZETCQYMHSA-N 1 1 197.200 1.418 10 30 ADEEMO C=C(C)C[N@@H+](C)Cc1n[nH]cc1C 308442209 491104602 /nfs/dbraw/zinc/10/46/02/491104602.db2.gz ZJAJIZSMMWFKLY-UHFFFAOYSA-N 1 1 179.267 1.726 10 30 ADEEMO C=C(C)C[N@H+](C)Cc1n[nH]cc1C 308442209 491104604 /nfs/dbraw/zinc/10/46/04/491104604.db2.gz ZJAJIZSMMWFKLY-UHFFFAOYSA-N 1 1 179.267 1.726 10 30 ADEEMO C=CC[N@@H+](C)CCc1cccnc1 308457672 491105586 /nfs/dbraw/zinc/10/55/86/491105586.db2.gz GLHCBELCADLCFO-UHFFFAOYSA-N 1 1 176.263 1.742 10 30 ADEEMO C=C(C)COCC[NH2+]Cc1cocn1 308494734 491107528 /nfs/dbraw/zinc/10/75/28/491107528.db2.gz CTACLXZNOFLSGW-UHFFFAOYSA-N 1 1 196.250 1.357 10 30 ADEEMO C=CCCC[N@H+]1C[C@@H](OC)C[C@H]1CO 308561957 491111726 /nfs/dbraw/zinc/11/17/26/491111726.db2.gz FTSMLMKUPLUBGQ-QWRGUYRKSA-N 1 1 199.294 1.034 10 30 ADEEMO C=CCCC[N@H+]1C[C@H](OC)C[C@H]1CO 308561958 491111780 /nfs/dbraw/zinc/11/17/80/491111780.db2.gz FTSMLMKUPLUBGQ-WDEREUQCSA-N 1 1 199.294 1.034 10 30 ADEEMO C=C(C)CC[N@H+]1C[C@@H](OC)C[C@H]1CO 308564768 491111867 /nfs/dbraw/zinc/11/18/67/491111867.db2.gz HCXHOSDVHDKLBA-QWRGUYRKSA-N 1 1 199.294 1.034 10 30 ADEEMO C=C(C)CC[N@H+]1C[C@H](OC)C[C@H]1CO 308564769 491111927 /nfs/dbraw/zinc/11/19/27/491111927.db2.gz HCXHOSDVHDKLBA-WDEREUQCSA-N 1 1 199.294 1.034 10 30 ADEEMO C=CC[C@H](CO)Nc1cccc(C)[nH+]1 308747808 491118752 /nfs/dbraw/zinc/11/87/52/491118752.db2.gz SJTQFJBWOUDIOC-SNVBAGLBSA-N 1 1 192.262 1.739 10 30 ADEEMO C=CC[C@@H](CO)Nc1cccc(C)[nH+]1 308747804 491118777 /nfs/dbraw/zinc/11/87/77/491118777.db2.gz SJTQFJBWOUDIOC-JTQLQIEISA-N 1 1 192.262 1.739 10 30 ADEEMO C=CC[N@@H+](CC1=NOCC1)C(C)C 1641609081 1188748773 /nfs/dbraw/zinc/74/87/73/1188748773.db2.gz HXPWEYVAALUIEB-UHFFFAOYSA-N 1 1 182.267 1.659 10 30 ADEEMO CCC#C[C@@H](C)[N@H+]1CCCOCC1 1641599535 1188748782 /nfs/dbraw/zinc/74/87/82/1188748782.db2.gz WDIUGCPQLBPOAA-LLVKDONJSA-N 1 1 181.279 1.511 10 30 ADEEMO CCC#C[C@H](C)[N@H+]1CCCOCC1 1641599536 1188748810 /nfs/dbraw/zinc/74/88/10/1188748810.db2.gz WDIUGCPQLBPOAA-NSHDSACASA-N 1 1 181.279 1.511 10 30 ADEEMO C[NH+](C)Cc1ccc(C#N)cc1F 19477063 1188766748 /nfs/dbraw/zinc/76/67/48/1188766748.db2.gz PLJUASWLJMGJMH-UHFFFAOYSA-N 1 1 178.210 1.759 10 30 ADEEMO C=CCNCC[N@H+]1CCC[C@H](CC)C1 53383248 1188769344 /nfs/dbraw/zinc/76/93/44/1188769344.db2.gz PXEGBNRPTRDEFZ-LBPRGKRZSA-N 1 1 196.338 1.884 10 30 ADEEMO C=CCNCC[N@@H+]1CCC[C@H](CC)C1 53383248 1188769346 /nfs/dbraw/zinc/76/93/46/1188769346.db2.gz PXEGBNRPTRDEFZ-LBPRGKRZSA-N 1 1 196.338 1.884 10 30 ADEEMO C=CCNCC[N@@H+](CC)CCCC 53345347 1188770241 /nfs/dbraw/zinc/77/02/41/1188770241.db2.gz WCDNOCDGNWSWJF-UHFFFAOYSA-N 1 1 184.327 1.884 10 30 ADEEMO C=CCNCC[N@H+](CC)CCCC 53345347 1188770244 /nfs/dbraw/zinc/77/02/44/1188770244.db2.gz WCDNOCDGNWSWJF-UHFFFAOYSA-N 1 1 184.327 1.884 10 30 ADEEMO C=CCNCC[NH+](CCC)CCC 53344853 1188770283 /nfs/dbraw/zinc/77/02/83/1188770283.db2.gz SKYYOJYPZHWSTK-UHFFFAOYSA-N 1 1 184.327 1.884 10 30 ADEEMO C=CCNCC[N@H+]1CCC[C@@H](CC)C1 53383246 1188770492 /nfs/dbraw/zinc/77/04/92/1188770492.db2.gz PXEGBNRPTRDEFZ-GFCCVEGCSA-N 1 1 196.338 1.884 10 30 ADEEMO C=CCNCC[N@@H+]1CCC[C@@H](CC)C1 53383246 1188770496 /nfs/dbraw/zinc/77/04/96/1188770496.db2.gz PXEGBNRPTRDEFZ-GFCCVEGCSA-N 1 1 196.338 1.884 10 30 ADEEMO C=CCNCC[NH+]1CCC(C)(C)CC1 61823500 1188772702 /nfs/dbraw/zinc/77/27/02/1188772702.db2.gz JJEKWDQLYRNWCU-UHFFFAOYSA-N 1 1 196.338 1.884 10 30 ADEEMO C[NH+](C)Cc1cccc(C#N)c1F 75927820 1188774349 /nfs/dbraw/zinc/77/43/49/1188774349.db2.gz FWCYNPXPPDHOMI-UHFFFAOYSA-N 1 1 178.210 1.759 10 30 ADEEMO CC(C)[N@@H+](C)Cc1ccnc(C#N)c1 82668850 1188776714 /nfs/dbraw/zinc/77/67/14/1188776714.db2.gz YOSCQGYGRIVTHL-UHFFFAOYSA-N 1 1 189.262 1.793 10 30 ADEEMO C#CC[N@H+](C)C[C@H]1C[C@H]1C 82649449 1188776765 /nfs/dbraw/zinc/77/67/65/1188776765.db2.gz CTPBRDJDEXOSIA-RKDXNWHRSA-N 1 1 137.226 1.207 10 30 ADEEMO C#CC[N@H+](C)C[C@H]1C[C@@H]1C 82649450 1188776848 /nfs/dbraw/zinc/77/68/48/1188776848.db2.gz CTPBRDJDEXOSIA-DTWKUNHWSA-N 1 1 137.226 1.207 10 30 ADEEMO C#CC[N@H+](C)C[C@@H]1C[C@@H]1C 82649452 1188776981 /nfs/dbraw/zinc/77/69/81/1188776981.db2.gz CTPBRDJDEXOSIA-IUCAKERBSA-N 1 1 137.226 1.207 10 30 ADEEMO C#CC[N@H+](C)C[C@@H]1C[C@H]1C 82649451 1188777166 /nfs/dbraw/zinc/77/71/66/1188777166.db2.gz CTPBRDJDEXOSIA-BDAKNGLRSA-N 1 1 137.226 1.207 10 30 ADEEMO CC[N@@H+](C)Cc1ccnc(C#N)c1 82668851 1188777170 /nfs/dbraw/zinc/77/71/70/1188777170.db2.gz XEAKQXBSTFLTQQ-UHFFFAOYSA-N 1 1 175.235 1.405 10 30 ADEEMO C=CCC[N@@H+]1CC=CCC1 196264601 1188782732 /nfs/dbraw/zinc/78/27/32/1188782732.db2.gz LVWKYYFTVUICHX-UHFFFAOYSA-N 1 1 137.226 1.824 10 30 ADEEMO CC[C@@H](CC#N)[N@H+]1CC[C@@H](COC)C1 227072853 1188787722 /nfs/dbraw/zinc/78/77/22/1188787722.db2.gz AHVAKLLOXZOMOE-MNOVXSKESA-N 1 1 196.294 1.647 10 30 ADEEMO CC[C@H](CC#N)[N@H+]1CC[C@@H](COC)C1 227072859 1188788056 /nfs/dbraw/zinc/78/80/56/1188788056.db2.gz AHVAKLLOXZOMOE-GHMZBOCLSA-N 1 1 196.294 1.647 10 30 ADEEMO C#CC[N@H+](C[C@H](C)O)C(C)(C)C 238439268 1188793664 /nfs/dbraw/zinc/79/36/64/1188793664.db2.gz IKHAPFYAQBZHIG-VIFPVBQESA-N 1 1 169.268 1.101 10 30 ADEEMO C=CC[N@H+](C)[C@H]1CCCSC1 306748689 1188800983 /nfs/dbraw/zinc/80/09/83/1188800983.db2.gz HGBBKFZNFBTYCX-VIFPVBQESA-N 1 1 171.309 2.000 10 30 ADEEMO C#CCC[N@@H+]1C[C@@H](C)[C@H]1C 306820065 1188802273 /nfs/dbraw/zinc/80/22/73/1188802273.db2.gz DFOUYZPKLLIBCA-RKDXNWHRSA-N 1 1 137.226 1.350 10 30 ADEEMO C#CCC[N@@H+]1C[C@H](C)[C@H]1C 306820063 1188802702 /nfs/dbraw/zinc/80/27/02/1188802702.db2.gz DFOUYZPKLLIBCA-DTWKUNHWSA-N 1 1 137.226 1.350 10 30 ADEEMO C=CCC[N@@H+]1C[C@H](C)[C@@H]1C 307318522 1188807373 /nfs/dbraw/zinc/80/73/73/1188807373.db2.gz MIUBNAVSKLQUHV-IUCAKERBSA-N 1 1 139.242 1.903 10 30 ADEEMO C=CCC[N@@H+]1C[C@@H](C)[C@H]1C 307318523 1188807554 /nfs/dbraw/zinc/80/75/54/1188807554.db2.gz MIUBNAVSKLQUHV-RKDXNWHRSA-N 1 1 139.242 1.903 10 30 ADEEMO C=CCN(C)[C@@H]1CC[N@H+](CC)C1 308055900 1188810406 /nfs/dbraw/zinc/81/04/06/1188810406.db2.gz UOWXCFPVHNSPHS-SNVBAGLBSA-N 1 1 168.284 1.198 10 30 ADEEMO C=CC[N@@H+](C)[C@@H]1CCN(CC)C1 308055900 1188810410 /nfs/dbraw/zinc/81/04/10/1188810410.db2.gz UOWXCFPVHNSPHS-SNVBAGLBSA-N 1 1 168.284 1.198 10 30 ADEEMO C=CC[N@H+](C)[C@@H]1CCN(CC)C1 308055900 1188810415 /nfs/dbraw/zinc/81/04/15/1188810415.db2.gz UOWXCFPVHNSPHS-SNVBAGLBSA-N 1 1 168.284 1.198 10 30 ADEEMO C=CCN(C)[C@H]1CC[N@H+](CC)C1 308055899 1188810531 /nfs/dbraw/zinc/81/05/31/1188810531.db2.gz UOWXCFPVHNSPHS-JTQLQIEISA-N 1 1 168.284 1.198 10 30 ADEEMO C=CC[N@@H+](C)[C@H]1CCN(CC)C1 308055899 1188810535 /nfs/dbraw/zinc/81/05/35/1188810535.db2.gz UOWXCFPVHNSPHS-JTQLQIEISA-N 1 1 168.284 1.198 10 30 ADEEMO C=CC[N@H+](C)[C@H]1CCN(CC)C1 308055899 1188810540 /nfs/dbraw/zinc/81/05/40/1188810540.db2.gz UOWXCFPVHNSPHS-JTQLQIEISA-N 1 1 168.284 1.198 10 30 ADEEMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](CO)C1 308334279 1188811653 /nfs/dbraw/zinc/81/16/53/1188811653.db2.gz MTIDPUGQTOSMSZ-GHMZBOCLSA-N 1 1 183.295 1.655 10 30 ADEEMO C=CCC[C@@H](C)[N@H+]1CC[C@H](CO)C1 308334280 1188811669 /nfs/dbraw/zinc/81/16/69/1188811669.db2.gz MTIDPUGQTOSMSZ-MNOVXSKESA-N 1 1 183.295 1.655 10 30 ADEEMO C=CCC[C@H](C)[N@H+]1CC[C@@H](CO)C1 308334282 1188811680 /nfs/dbraw/zinc/81/16/80/1188811680.db2.gz MTIDPUGQTOSMSZ-WDEREUQCSA-N 1 1 183.295 1.655 10 30 ADEEMO C=CCC[C@H](C)[N@H+]1CC[C@H](CO)C1 308334281 1188811696 /nfs/dbraw/zinc/81/16/96/1188811696.db2.gz MTIDPUGQTOSMSZ-QWRGUYRKSA-N 1 1 183.295 1.655 10 30 ADEEMO CC[C@H](CC#N)[NH2+]C1CN(C(C)C)C1 379087239 1188815449 /nfs/dbraw/zinc/81/54/49/1188815449.db2.gz FOIDBMYUOBOJBY-SNVBAGLBSA-N 1 1 195.310 1.361 10 30 ADEEMO CC[C@@H](CC#N)[NH2+]C1CN(C(C)C)C1 379087236 1188815512 /nfs/dbraw/zinc/81/55/12/1188815512.db2.gz FOIDBMYUOBOJBY-JTQLQIEISA-N 1 1 195.310 1.361 10 30 ADEEMO C=CCCC[N@H+]1CCO[C@H]2C[C@H]21 379338604 1188815662 /nfs/dbraw/zinc/81/56/62/1188815662.db2.gz LKVBCEZMYAAUQS-ZJUUUORDSA-N 1 1 167.252 1.426 10 30 ADEEMO C=CC[NH2+]Cc1ncc(CC)s1 379332279 1188816281 /nfs/dbraw/zinc/81/62/81/1188816281.db2.gz GYHNDNUPESEPCS-UHFFFAOYSA-N 1 1 182.292 1.981 10 30 ADEEMO C=CCCC[N@H+]1CCO[C@@H]2C[C@@H]21 379338603 1188816536 /nfs/dbraw/zinc/81/65/36/1188816536.db2.gz LKVBCEZMYAAUQS-VHSXEESVSA-N 1 1 167.252 1.426 10 30 ADEEMO CC#CCC[NH2+]Cc1nnc(C)s1 392060368 1188821043 /nfs/dbraw/zinc/82/10/43/1188821043.db2.gz TWNWLGBZDSRKPL-UHFFFAOYSA-N 1 1 195.291 1.350 10 30 ADEEMO C=CCO[C@@H]1CC[N@@H+](CC2CC2)C1 393705867 1188821300 /nfs/dbraw/zinc/82/13/00/1188821300.db2.gz RQMXXQDHNXXLPF-LLVKDONJSA-N 1 1 181.279 1.673 10 30 ADEEMO C=CCCC(=O)NCC[N@H+](C)CC 393706605 1188821541 /nfs/dbraw/zinc/82/15/41/1188821541.db2.gz AKHPPIFCDVZPPE-UHFFFAOYSA-N 1 1 184.283 1.021 10 30 ADEEMO C=CCO[C@H]1CC[N@@H+](CC2CC2)C1 393705870 1188821759 /nfs/dbraw/zinc/82/17/59/1188821759.db2.gz RQMXXQDHNXXLPF-NSHDSACASA-N 1 1 181.279 1.673 10 30 ADEEMO CC[N@H+]1CC[C@](C)(C#N)C1 606244471 1188823816 /nfs/dbraw/zinc/82/38/16/1188823816.db2.gz DJPWOPZNZRTCCK-MRVPVSSYSA-N 1 1 138.214 1.242 10 30 ADEEMO CC[N@H+]1CC[C@@](C)(C#N)C1 606244472 1188823870 /nfs/dbraw/zinc/82/38/70/1188823870.db2.gz DJPWOPZNZRTCCK-QMMMGPOBSA-N 1 1 138.214 1.242 10 30 ADEEMO N#C[C@@H]1CCCN(c2cc[nH+]cc2)C1 606258575 1188824388 /nfs/dbraw/zinc/82/43/88/1188824388.db2.gz INRCKUKWGCGTIC-JTQLQIEISA-N 1 1 187.246 1.822 10 30 ADEEMO C[C@@]1(C#N)CCN(c2cc[nH+]cc2)C1 606258718 1188824396 /nfs/dbraw/zinc/82/43/96/1188824396.db2.gz LZTADPNPIRVZQX-NSHDSACASA-N 1 1 187.246 1.822 10 30 ADEEMO C[C@]1(C#N)CCN(c2cc[nH+]cc2)C1 606258716 1188824435 /nfs/dbraw/zinc/82/44/35/1188824435.db2.gz LZTADPNPIRVZQX-LLVKDONJSA-N 1 1 187.246 1.822 10 30 ADEEMO N#C[C@H]1CCCN(c2cc[nH+]cc2)C1 606258578 1188824489 /nfs/dbraw/zinc/82/44/89/1188824489.db2.gz INRCKUKWGCGTIC-SNVBAGLBSA-N 1 1 187.246 1.822 10 30 ADEEMO CC#CC[N@@H+](C)Cc1ccc(OC)o1 897168714 1188827975 /nfs/dbraw/zinc/82/79/75/1188827975.db2.gz DFAKMBZSCJOTSE-UHFFFAOYSA-N 1 1 193.246 1.743 10 30 ADEEMO CC#CC[N@H+](C)Cc1ccc(OC)o1 897168714 1188827976 /nfs/dbraw/zinc/82/79/76/1188827976.db2.gz DFAKMBZSCJOTSE-UHFFFAOYSA-N 1 1 193.246 1.743 10 30 ADEEMO CC#CCN(C)Cc1c[nH+]c(C)n1C 897168729 1188827988 /nfs/dbraw/zinc/82/79/88/1188827988.db2.gz DOQZETJSPYPHIS-UHFFFAOYSA-N 1 1 191.278 1.184 10 30 ADEEMO C[N@@H+](C[C@H](O)CC#N)C1(C)CCCC1 1334888245 1188837474 /nfs/dbraw/zinc/83/74/74/1188837474.db2.gz MKONDMGBQVGBCI-SNVBAGLBSA-N 1 1 196.294 1.525 10 30 ADEEMO C#CC[N@H+](Cc1cncnc1)C(C)C 1335564997 1188838242 /nfs/dbraw/zinc/83/82/42/1188838242.db2.gz CZBJWKODTRKXQL-UHFFFAOYSA-N 1 1 189.262 1.320 10 30 ADEEMO C#CC[N@@H+](Cc1cncnc1)C(C)C 1335564997 1188838244 /nfs/dbraw/zinc/83/82/44/1188838244.db2.gz CZBJWKODTRKXQL-UHFFFAOYSA-N 1 1 189.262 1.320 10 30 ADEEMO C#CC[N@H+](CC(=C)C)CC1CC1 1335587640 1188838671 /nfs/dbraw/zinc/83/86/71/1188838671.db2.gz HACRQWDROMSJPF-UHFFFAOYSA-N 1 1 163.264 1.908 10 30 ADEEMO CCC#C[C@H](C)[N@H+]1C[C@@H](O)[C@@H](CC)C1 1473349891 1188843615 /nfs/dbraw/zinc/84/36/15/1188843615.db2.gz QCSSOPFJBZBVGC-SDDRHHMPSA-N 1 1 195.306 1.491 10 30 ADEEMO C#CC[N@H+](CC#CC)CC1CC(C)C1 1473190453 1188844110 /nfs/dbraw/zinc/84/41/10/1188844110.db2.gz QITLTRBWUQESGR-UHFFFAOYSA-N 1 1 189.302 1.991 10 30 ADEEMO C#CC[N@@H+](CC#CC)C[C@@H]1C[C@H]1CC 1473189728 1188844188 /nfs/dbraw/zinc/84/41/88/1188844188.db2.gz FGECYFNNRAHSES-OLZOCXBDSA-N 1 1 189.302 1.991 10 30 ADEEMO CCC#C[C@H](C)[N@@H+]1C[C@H](CC)[C@@H](O)C1 1473349892 1188844243 /nfs/dbraw/zinc/84/42/43/1188844243.db2.gz QCSSOPFJBZBVGC-SRVKXCTJSA-N 1 1 195.306 1.491 10 30 ADEEMO CCC#C[C@H](C)[N@H+]1C[C@H](O)[C@H](CC)C1 1473349893 1188844768 /nfs/dbraw/zinc/84/47/68/1188844768.db2.gz QCSSOPFJBZBVGC-TUAOUCFPSA-N 1 1 195.306 1.491 10 30 ADEEMO C#CC[N@@H+](CC1CC1)CC1(O)CCC1 1473286707 1188844737 /nfs/dbraw/zinc/84/47/37/1188844737.db2.gz FSRHXJSYDXXJRG-UHFFFAOYSA-N 1 1 193.290 1.247 10 30 ADEEMO C=C(C)C[N@@H+]1CC[C@@H](C)C1 1473214211 1188844787 /nfs/dbraw/zinc/84/47/87/1188844787.db2.gz RLFRGRXJKSURNF-SECBINFHSA-N 1 1 139.242 1.904 10 30 ADEEMO CCC#C[C@H](C)[N@H+]1C[C@@H](O)[C@H](CC)C1 1473349890 1188844883 /nfs/dbraw/zinc/84/48/83/1188844883.db2.gz QCSSOPFJBZBVGC-QJPTWQEYSA-N 1 1 195.306 1.491 10 30 ADEEMO C=C(C)C[N@@H+]1CC[C@H](C)C1 1473214212 1188845136 /nfs/dbraw/zinc/84/51/36/1188845136.db2.gz RLFRGRXJKSURNF-VIFPVBQESA-N 1 1 139.242 1.904 10 30 ADEEMO C=C(C)C[N@@H+]1CCC[C@@H](C#N)C1 70663291 697625890 /nfs/dbraw/zinc/62/58/90/697625890.db2.gz CVNVWVUQLFDICA-JTQLQIEISA-N 1 1 164.252 1.798 10 30 ADEEMO C=C(C)C[N@H+]1CCC[C@@H](C#N)C1 70663291 697625893 /nfs/dbraw/zinc/62/58/93/697625893.db2.gz CVNVWVUQLFDICA-JTQLQIEISA-N 1 1 164.252 1.798 10 30 ADEEMO C#CC[N@@H+](C)CCc1cccs1 85697141 697629109 /nfs/dbraw/zinc/62/91/09/697629109.db2.gz CHFFJGUUAFZJCT-UHFFFAOYSA-N 1 1 179.288 1.856 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CCC(=O)[C@H](C)C1 122529327 697638574 /nfs/dbraw/zinc/63/85/74/697638574.db2.gz LRUBCVWJGUPWLT-ZJUUUORDSA-N 1 1 181.279 1.862 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CCC(=O)[C@@H](C)C1 122529549 697638582 /nfs/dbraw/zinc/63/85/82/697638582.db2.gz LRUBCVWJGUPWLT-UWVGGRQHSA-N 1 1 181.279 1.862 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CCN[C@H](C)C1 123110586 697638623 /nfs/dbraw/zinc/63/86/23/697638623.db2.gz JPAGDHFCLNBXDB-ZJUUUORDSA-N 1 1 168.284 1.245 10 30 ADEEMO C=CC[C@H](C)N1CC[NH2+][C@H](C)C1 123110586 697638626 /nfs/dbraw/zinc/63/86/26/697638626.db2.gz JPAGDHFCLNBXDB-ZJUUUORDSA-N 1 1 168.284 1.245 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CCN[C@@H](C)C1 123110822 697638722 /nfs/dbraw/zinc/63/87/22/697638722.db2.gz JPAGDHFCLNBXDB-UWVGGRQHSA-N 1 1 168.284 1.245 10 30 ADEEMO C=CC[C@H](C)N1CC[NH2+][C@@H](C)C1 123110822 697638731 /nfs/dbraw/zinc/63/87/31/697638731.db2.gz JPAGDHFCLNBXDB-UWVGGRQHSA-N 1 1 168.284 1.245 10 30 ADEEMO C=CC[C@@H](C)N1CC[N@H+]2CCC[C@@H]2C1 123104803 697638746 /nfs/dbraw/zinc/63/87/46/697638746.db2.gz UELGVHZKSWDNPQ-VXGBXAGGSA-N 1 1 194.322 1.731 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CCCNCC1 123093802 697638905 /nfs/dbraw/zinc/63/89/05/697638905.db2.gz FVSDOBIWUXDIIY-JTQLQIEISA-N 1 1 168.284 1.246 10 30 ADEEMO C=CC[C@H](C)N1CCC[NH2+]CC1 123093802 697638908 /nfs/dbraw/zinc/63/89/08/697638908.db2.gz FVSDOBIWUXDIIY-JTQLQIEISA-N 1 1 168.284 1.246 10 30 ADEEMO C=CC[C@H](C)N1CC[N@H+]2CCC[C@@H]2C1 123104634 697639025 /nfs/dbraw/zinc/63/90/25/697639025.db2.gz UELGVHZKSWDNPQ-NWDGAFQWSA-N 1 1 194.322 1.731 10 30 ADEEMO C#CCCC[N@H+](C)CC[C@@H](C)O 122327500 697639063 /nfs/dbraw/zinc/63/90/63/697639063.db2.gz GSWXSPCOQCKVRV-SNVBAGLBSA-N 1 1 169.268 1.103 10 30 ADEEMO C#CCC[N@@H+]1C[C@H]2CCC[C@H]2C1 133647554 697642747 /nfs/dbraw/zinc/64/27/47/697642747.db2.gz CTFIZTOQAYZBCM-PHIMTYICSA-N 1 1 163.264 1.742 10 30 ADEEMO C#CC[N@H+](C)[C@@H](CC)CSC 156222015 697655798 /nfs/dbraw/zinc/65/57/98/697655798.db2.gz HBLHIMOTABKTKP-VIFPVBQESA-N 1 1 171.309 1.693 10 30 ADEEMO C#CC[N@H+](C)[C@H](CC)CSC 156222101 697655929 /nfs/dbraw/zinc/65/59/29/697655929.db2.gz HBLHIMOTABKTKP-SECBINFHSA-N 1 1 171.309 1.693 10 30 ADEEMO C#CCCC[N@H+](C)C(C)(C)CO 160954082 697661818 /nfs/dbraw/zinc/66/18/18/697661818.db2.gz ICWHXFRYRJRYOY-UHFFFAOYSA-N 1 1 169.268 1.103 10 30 ADEEMO C#CCCC[N@H+](C)C1CCC1 160959602 697661942 /nfs/dbraw/zinc/66/19/42/697661942.db2.gz AESANRAXPYQCGL-UHFFFAOYSA-N 1 1 151.253 1.884 10 30 ADEEMO CC(C)C[N@@H+](CCC#N)C[C@H](C)CO 160955901 697662058 /nfs/dbraw/zinc/66/20/58/697662058.db2.gz UDRQGXUCNBPTLK-NSHDSACASA-N 1 1 198.310 1.486 10 30 ADEEMO CC(C)C[N@@H+](CCC#N)C[C@@H](C)CO 160955763 697662204 /nfs/dbraw/zinc/66/22/04/697662204.db2.gz UDRQGXUCNBPTLK-LLVKDONJSA-N 1 1 198.310 1.486 10 30 ADEEMO C#CCCC[N@@H+](CCC)CCO 161095799 697663600 /nfs/dbraw/zinc/66/36/00/697663600.db2.gz FKEUGUFBMLWTHT-UHFFFAOYSA-N 1 1 169.268 1.104 10 30 ADEEMO C#CCCCN1CCC([NH+](C)C)CC1 161093643 697664029 /nfs/dbraw/zinc/66/40/29/697664029.db2.gz DMTPGEPGOXIPKO-UHFFFAOYSA-N 1 1 194.322 1.426 10 30 ADEEMO C#CCCC[NH+]1CCC(N(C)C)CC1 161093643 697664030 /nfs/dbraw/zinc/66/40/30/697664030.db2.gz DMTPGEPGOXIPKO-UHFFFAOYSA-N 1 1 194.322 1.426 10 30 ADEEMO C#CCCC[N@H+](C)C[C@@H]1CCCCO1 161106002 697664455 /nfs/dbraw/zinc/66/44/55/697664455.db2.gz GRHOICQPPPHZTH-LBPRGKRZSA-N 1 1 195.306 1.901 10 30 ADEEMO C#CCCC[N@H+](C)C[C@H](C)C(=O)OC 161098871 697664470 /nfs/dbraw/zinc/66/44/70/697664470.db2.gz BZSNRFWCQVLFBC-JTQLQIEISA-N 1 1 197.278 1.141 10 30 ADEEMO C#CCCC[N@H+](C)C[C@H]1CCCO1 161100289 697664640 /nfs/dbraw/zinc/66/46/40/697664640.db2.gz HTUYFLLTUMVOBJ-LLVKDONJSA-N 1 1 181.279 1.511 10 30 ADEEMO C#CCCC[N@H+](C)C[C@H]1CCCCO1 161106126 697664649 /nfs/dbraw/zinc/66/46/49/697664649.db2.gz GRHOICQPPPHZTH-GFCCVEGCSA-N 1 1 195.306 1.901 10 30 ADEEMO C#CCCC[N@H+]1CCCOCC1 161110352 697664696 /nfs/dbraw/zinc/66/46/96/697664696.db2.gz ICEWZLYBHPOEJH-UHFFFAOYSA-N 1 1 167.252 1.122 10 30 ADEEMO C#CCCC[N@H+](C)CC1CC1 161100425 697664717 /nfs/dbraw/zinc/66/47/17/697664717.db2.gz DWUOKEKFJXYMRH-UHFFFAOYSA-N 1 1 151.253 1.742 10 30 ADEEMO C#CCCC[N@H+](C)C[C@@H](C)C(=O)OC 161098987 697664772 /nfs/dbraw/zinc/66/47/72/697664772.db2.gz BZSNRFWCQVLFBC-SNVBAGLBSA-N 1 1 197.278 1.141 10 30 ADEEMO C#CCCC[N@@H+]1C[C@@H](C)OC(C)(C)C1 161108245 697664790 /nfs/dbraw/zinc/66/47/90/697664790.db2.gz HSPGAHVGRYPOOK-LLVKDONJSA-N 1 1 195.306 1.899 10 30 ADEEMO C#CCCC[N@@H+]1C[C@H](C)OC(C)(C)C1 161108352 697664794 /nfs/dbraw/zinc/66/47/94/697664794.db2.gz HSPGAHVGRYPOOK-NSHDSACASA-N 1 1 195.306 1.899 10 30 ADEEMO C#CCCC[N@H+](CC)CCOC 161106930 697664827 /nfs/dbraw/zinc/66/48/27/697664827.db2.gz CMJUSGMMHOHAKA-UHFFFAOYSA-N 1 1 169.268 1.368 10 30 ADEEMO C#CCCC[N@H+](C)C[C@H](C)C#N 161114001 697664852 /nfs/dbraw/zinc/66/48/52/697664852.db2.gz ASPJTNLHCGUPCK-SNVBAGLBSA-N 1 1 164.252 1.491 10 30 ADEEMO C#CCCC[N@H+](C)C[C@@H](C)C#N 161114090 697664868 /nfs/dbraw/zinc/66/48/68/697664868.db2.gz ASPJTNLHCGUPCK-JTQLQIEISA-N 1 1 164.252 1.491 10 30 ADEEMO C#CCCC[N@H+](C)C[C@@H]1CCCO1 161100172 697664890 /nfs/dbraw/zinc/66/48/90/697664890.db2.gz HTUYFLLTUMVOBJ-NSHDSACASA-N 1 1 181.279 1.511 10 30 ADEEMO C#CCCC[N@H+](CCC)CC(=O)OC 161101617 697665003 /nfs/dbraw/zinc/66/50/03/697665003.db2.gz GMDTURBYENVXRS-UHFFFAOYSA-N 1 1 197.278 1.285 10 30 ADEEMO C#CCCC[N@H+](C)[C@H]1CCOC1 161122414 697665392 /nfs/dbraw/zinc/66/53/92/697665392.db2.gz GOOAOEFZSGKWTG-JTQLQIEISA-N 1 1 167.252 1.121 10 30 ADEEMO C#CCCC[N@H+](C)C[C@@H]1CCCOC1 161122821 697665442 /nfs/dbraw/zinc/66/54/42/697665442.db2.gz FIYXMKXJJXOHQU-LBPRGKRZSA-N 1 1 195.306 1.758 10 30 ADEEMO C#CCCC[N@H+](C)[C@@H](C)CC#N 161139311 697665469 /nfs/dbraw/zinc/66/54/69/697665469.db2.gz HLBDRKYPKZPGBD-JTQLQIEISA-N 1 1 164.252 1.634 10 30 ADEEMO C#CCCC[N@@H+]1CCSC[C@@H]1C 161129994 697665493 /nfs/dbraw/zinc/66/54/93/697665493.db2.gz GAUAUSWLAGTDMQ-JTQLQIEISA-N 1 1 183.320 1.837 10 30 ADEEMO C#CCCC[N@H+](C)C[C@H]1CCCOC1 161122940 697665621 /nfs/dbraw/zinc/66/56/21/697665621.db2.gz FIYXMKXJJXOHQU-GFCCVEGCSA-N 1 1 195.306 1.758 10 30 ADEEMO C#CCCC[N@H+](C)[C@@H]1CCOC1 161122269 697665670 /nfs/dbraw/zinc/66/56/70/697665670.db2.gz GOOAOEFZSGKWTG-SNVBAGLBSA-N 1 1 167.252 1.121 10 30 ADEEMO C#CCCC[N@H+](C)[C@H](C)CC#N 161139450 697665777 /nfs/dbraw/zinc/66/57/77/697665777.db2.gz HLBDRKYPKZPGBD-SNVBAGLBSA-N 1 1 164.252 1.634 10 30 ADEEMO C#CCCC[N@H+](CC)CCOCC 161122675 697665877 /nfs/dbraw/zinc/66/58/77/697665877.db2.gz DPJBJZLJBJKDSW-UHFFFAOYSA-N 1 1 183.295 1.758 10 30 ADEEMO C#CCCC[N@H+](C)CCOCC1CC1 161138606 697665888 /nfs/dbraw/zinc/66/58/88/697665888.db2.gz HBBZZGWAICVNTG-UHFFFAOYSA-N 1 1 195.306 1.758 10 30 ADEEMO C#CCCC[N@@H+]1CCSC[C@H]1C 161129875 697665972 /nfs/dbraw/zinc/66/59/72/697665972.db2.gz GAUAUSWLAGTDMQ-SNVBAGLBSA-N 1 1 183.320 1.837 10 30 ADEEMO C#CCCC[N@@H+](C)Cc1nccn1C 161152196 697666341 /nfs/dbraw/zinc/66/63/41/697666341.db2.gz GLCXFQLFCSXPBS-UHFFFAOYSA-N 1 1 191.278 1.265 10 30 ADEEMO C#CCCC[N@H+](C)Cc1nccn1C 161152196 697666342 /nfs/dbraw/zinc/66/63/42/697666342.db2.gz GLCXFQLFCSXPBS-UHFFFAOYSA-N 1 1 191.278 1.265 10 30 ADEEMO C#CCCC[N@H+]1CCCSCC1 161146580 697666395 /nfs/dbraw/zinc/66/63/95/697666395.db2.gz PTRAXTXVJBFQOB-UHFFFAOYSA-N 1 1 183.320 1.839 10 30 ADEEMO C#CCCC[N@H+](C)Cc1cccnc1 161151913 697666690 /nfs/dbraw/zinc/66/66/90/697666690.db2.gz HRZYMFLEEAGRJV-UHFFFAOYSA-N 1 1 188.274 1.927 10 30 ADEEMO C#CCCC[N@H+](C)CC1CCOCC1 161152521 697666710 /nfs/dbraw/zinc/66/67/10/697666710.db2.gz FVZNDBVSEXUEJQ-UHFFFAOYSA-N 1 1 195.306 1.758 10 30 ADEEMO C#C[C@@H](C)[NH2+][C@@H](C)c1cnccn1 166414402 697672724 /nfs/dbraw/zinc/67/27/24/697672724.db2.gz GUMUQBJOTZJNMO-BDAKNGLRSA-N 1 1 175.235 1.149 10 30 ADEEMO C#C[C@H](C)[NH2+]Cc1nccn1CC 166412922 697672743 /nfs/dbraw/zinc/67/27/43/697672743.db2.gz CFYVIPODWODBPK-VIFPVBQESA-N 1 1 177.251 1.014 10 30 ADEEMO C#C[C@@H](C)[NH2+]Cc1nccn1CC 166413040 697672788 /nfs/dbraw/zinc/67/27/88/697672788.db2.gz CFYVIPODWODBPK-SECBINFHSA-N 1 1 177.251 1.014 10 30 ADEEMO C#C[C@@H](C)[NH2+][C@H](C)c1cnccn1 166414629 697672844 /nfs/dbraw/zinc/67/28/44/697672844.db2.gz GUMUQBJOTZJNMO-RKDXNWHRSA-N 1 1 175.235 1.149 10 30 ADEEMO C#C[C@H](C)[NH2+][C@@H](C)c1cnccn1 166414272 697672855 /nfs/dbraw/zinc/67/28/55/697672855.db2.gz GUMUQBJOTZJNMO-IUCAKERBSA-N 1 1 175.235 1.149 10 30 ADEEMO C#C[C@H](C)[NH2+][C@H](C)c1cnccn1 166414515 697672874 /nfs/dbraw/zinc/67/28/74/697672874.db2.gz GUMUQBJOTZJNMO-DTWKUNHWSA-N 1 1 175.235 1.149 10 30 ADEEMO C#CC[N@H+]1C[C@H](C)C[C@@H](C)[C@@H]1C 166820210 697674033 /nfs/dbraw/zinc/67/40/33/697674033.db2.gz ZYCGRTJIRDEZAE-MXWKQRLJSA-N 1 1 165.280 1.986 10 30 ADEEMO C#CC[N@H+]1C[C@H](C)C[C@H](C)[C@@H]1C 166819978 697674067 /nfs/dbraw/zinc/67/40/67/697674067.db2.gz ZYCGRTJIRDEZAE-VWYCJHECSA-N 1 1 165.280 1.986 10 30 ADEEMO C=CCC[NH2+]C1C[C@@H]2CC[C@H](C1)N2C 168505102 697677251 /nfs/dbraw/zinc/67/72/51/697677251.db2.gz GAFZNCVAKLRLOD-YOGCLGLASA-N 1 1 194.322 1.777 10 30 ADEEMO CC#CC[NH2+][C@H](C)c1nccnc1C 219211552 697685599 /nfs/dbraw/zinc/68/55/99/697685599.db2.gz SMBUGWJHALZJTL-SECBINFHSA-N 1 1 189.262 1.459 10 30 ADEEMO C#CCC[N@H+]1CCO[C@@H]2CCCC[C@H]21 226870202 697694704 /nfs/dbraw/zinc/69/47/04/697694704.db2.gz ISSOEVIBXCMSOA-VXGBXAGGSA-N 1 1 193.290 1.653 10 30 ADEEMO C#CCC[N@H+]1CCO[C@H]2CCCC[C@H]21 226870207 697695207 /nfs/dbraw/zinc/69/52/07/697695207.db2.gz ISSOEVIBXCMSOA-NEPJUHHUSA-N 1 1 193.290 1.653 10 30 ADEEMO CC1(C#N)CC[NH+](CCF)CC1 227351878 697696297 /nfs/dbraw/zinc/69/62/97/697696297.db2.gz HQYAPIBANQIPGZ-UHFFFAOYSA-N 1 1 170.231 1.582 10 30 ADEEMO C#CCCN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C 227423356 697696704 /nfs/dbraw/zinc/69/67/04/697696704.db2.gz WWOUYJJXFFWXNK-RYUDHWBXSA-N 1 1 192.306 1.178 10 30 ADEEMO C#CC[N@H+]1CCSC(C)(C)CC1 228088337 697699121 /nfs/dbraw/zinc/69/91/21/697699121.db2.gz AREVEYGCPQPKAU-UHFFFAOYSA-N 1 1 183.320 1.837 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CCN[C@@H](C)C1 228956310 697700067 /nfs/dbraw/zinc/70/00/67/697700067.db2.gz JPAGDHFCLNBXDB-VHSXEESVSA-N 1 1 168.284 1.245 10 30 ADEEMO C=CC[C@@H](C)N1CC[NH2+][C@@H](C)C1 228956310 697700070 /nfs/dbraw/zinc/70/00/70/697700070.db2.gz JPAGDHFCLNBXDB-VHSXEESVSA-N 1 1 168.284 1.245 10 30 ADEEMO C#CC[N@H+]1C[C@H](C)C[C@@H](C)[C@H]1C 229482580 697701329 /nfs/dbraw/zinc/70/13/29/697701329.db2.gz ZYCGRTJIRDEZAE-GMTAPVOTSA-N 1 1 165.280 1.986 10 30 ADEEMO C#CCC[NH2+]Cc1ncc(C)o1 231652273 697705155 /nfs/dbraw/zinc/70/51/55/697705155.db2.gz VTEMTVGYIIUCIA-UHFFFAOYSA-N 1 1 164.208 1.096 10 30 ADEEMO C=C(C)C[NH2+]Cc1ncc(C)o1 231652027 697705224 /nfs/dbraw/zinc/70/52/24/697705224.db2.gz ADNSQZMJLFUUSO-UHFFFAOYSA-N 1 1 166.224 1.649 10 30 ADEEMO C=CC[C@H](C)N1CC[N@H+]2CCC[C@H]2C1 252915653 697716061 /nfs/dbraw/zinc/71/60/61/697716061.db2.gz UELGVHZKSWDNPQ-RYUDHWBXSA-N 1 1 194.322 1.731 10 30 ADEEMO C#CCCC[N@@H+]1C[C@H](C)[C@H](N(C)C)C1 252728535 697715155 /nfs/dbraw/zinc/71/51/55/697715155.db2.gz BVGUCPBXCJDBAK-NWDGAFQWSA-N 1 1 194.322 1.282 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CCN[C@H](C)C1 252912116 697716035 /nfs/dbraw/zinc/71/60/35/697716035.db2.gz JPAGDHFCLNBXDB-NXEZZACHSA-N 1 1 168.284 1.245 10 30 ADEEMO C=CC[C@@H](C)N1CC[NH2+][C@H](C)C1 252912116 697716038 /nfs/dbraw/zinc/71/60/38/697716038.db2.gz JPAGDHFCLNBXDB-NXEZZACHSA-N 1 1 168.284 1.245 10 30 ADEEMO C=CC[C@@H](C)N1CC[N@H+]2CCC[C@H]2C1 252915651 697716054 /nfs/dbraw/zinc/71/60/54/697716054.db2.gz UELGVHZKSWDNPQ-NEPJUHHUSA-N 1 1 194.322 1.731 10 30 ADEEMO C#CC[N@@H+]1CC[C@@H](OC)C[C@@H]1C 300752085 697720434 /nfs/dbraw/zinc/72/04/34/697720434.db2.gz HLLMMBDJPXILMI-VHSXEESVSA-N 1 1 167.252 1.119 10 30 ADEEMO C#CC[N@@H+]1CC[C@H](OC)C[C@H]1C 300752086 697720414 /nfs/dbraw/zinc/72/04/14/697720414.db2.gz HLLMMBDJPXILMI-ZJUUUORDSA-N 1 1 167.252 1.119 10 30 ADEEMO C#CCC[N@@H+]1CCC=C(C)C1 306149148 697721738 /nfs/dbraw/zinc/72/17/38/697721738.db2.gz AGAJVZGIQDIHGZ-UHFFFAOYSA-N 1 1 149.237 1.662 10 30 ADEEMO C#CC[N@@H+](C)Cc1ncccc1C 306149811 697721779 /nfs/dbraw/zinc/72/17/79/697721779.db2.gz CBRWCLCILZXDBR-UHFFFAOYSA-N 1 1 174.247 1.455 10 30 ADEEMO C#CC[N@H+](C)Cc1ncccc1C 306149811 697721780 /nfs/dbraw/zinc/72/17/80/697721780.db2.gz CBRWCLCILZXDBR-UHFFFAOYSA-N 1 1 174.247 1.455 10 30 ADEEMO C#CC[N@@H+]1CC2(CCC2)C[C@@H]1C 306161662 697722662 /nfs/dbraw/zinc/72/26/62/697722662.db2.gz GQHDMFQPHRDRDZ-JTQLQIEISA-N 1 1 163.264 1.884 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)C[C@H]1CCCOC1 306265561 697723737 /nfs/dbraw/zinc/72/37/37/697723737.db2.gz DFBMXFKXJUFIIW-WDEREUQCSA-N 1 1 181.279 1.367 10 30 ADEEMO C#CC[N@H+]1CCC(F)(F)[C@H](C)C1 306278329 697723759 /nfs/dbraw/zinc/72/37/59/697723759.db2.gz GKVJWZPXYIDWQV-MRVPVSSYSA-N 1 1 173.206 1.597 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)C[C@@H]1CCCOC1 306265559 697723783 /nfs/dbraw/zinc/72/37/83/697723783.db2.gz DFBMXFKXJUFIIW-MNOVXSKESA-N 1 1 181.279 1.367 10 30 ADEEMO C#CCCNc1nc(C)[nH+]c(C)c1C 306518658 697729546 /nfs/dbraw/zinc/72/95/46/697729546.db2.gz IHFBJJZDNMDLKA-UHFFFAOYSA-N 1 1 189.262 1.837 10 30 ADEEMO C#CC[N@@H+]1C[C@@H](C)O[C@H](CC)C1 306530775 697729860 /nfs/dbraw/zinc/72/98/60/697729860.db2.gz HLQNUQNONCKCIN-NXEZZACHSA-N 1 1 167.252 1.119 10 30 ADEEMO C#CC[N@H+]1C[C@@H](C)O[C@H](CC)C1 306530775 697729864 /nfs/dbraw/zinc/72/98/64/697729864.db2.gz HLQNUQNONCKCIN-NXEZZACHSA-N 1 1 167.252 1.119 10 30 ADEEMO C#CC[N@H+]1CCC[C@H](OC(F)F)C1 306765946 697733054 /nfs/dbraw/zinc/73/30/54/697733054.db2.gz AIBWCTJBFMMEMI-QMMMGPOBSA-N 1 1 189.205 1.323 10 30 ADEEMO C#CC[N@@H+]1CCC[C@H](OC(F)F)C1 306765946 697733060 /nfs/dbraw/zinc/73/30/60/697733060.db2.gz AIBWCTJBFMMEMI-QMMMGPOBSA-N 1 1 189.205 1.323 10 30 ADEEMO C#CC[N@@H+]1CCC[C@@H](OC)CC1 306923968 697735444 /nfs/dbraw/zinc/73/54/44/697735444.db2.gz HMZPYZWREFGFDN-SNVBAGLBSA-N 1 1 167.252 1.121 10 30 ADEEMO C#CCCC[N@@H+]1C[C@@H](O)CC[C@H]1C 306908439 697735450 /nfs/dbraw/zinc/73/54/50/697735450.db2.gz OCCDUMKSLYANBO-MNOVXSKESA-N 1 1 181.279 1.245 10 30 ADEEMO C#CC[N@H+](C)C[C@H]1CCO[C@@H](C)C1 307009309 697736106 /nfs/dbraw/zinc/73/61/06/697736106.db2.gz HWHAQLWXCRHAQO-QWRGUYRKSA-N 1 1 181.279 1.367 10 30 ADEEMO C#CC[N@H+](C)C[C@@H]1CCO[C@@H](C)C1 307009310 697736137 /nfs/dbraw/zinc/73/61/37/697736137.db2.gz HWHAQLWXCRHAQO-WDEREUQCSA-N 1 1 181.279 1.367 10 30 ADEEMO C#CC[N@H+]1CCC[C@H]2COCC[C@@H]21 307191946 697738453 /nfs/dbraw/zinc/73/84/53/697738453.db2.gz LDWIZHDTQXLXPX-QWRGUYRKSA-N 1 1 179.263 1.121 10 30 ADEEMO C=C(Cl)C[N@H+]1C[C@H](C)C[C@@H](O)C1 307185216 697738513 /nfs/dbraw/zinc/73/85/13/697738513.db2.gz RVJIVCGQYGMNFC-VXNVDRBHSA-N 1 1 189.686 1.442 10 30 ADEEMO C=C(Cl)C[N@H+]1CCOCC[C@H]1C 307263601 697740062 /nfs/dbraw/zinc/74/00/62/697740062.db2.gz VUPFRRXBDZOUAR-SECBINFHSA-N 1 1 189.686 1.850 10 30 ADEEMO C=C(Cl)C[N@@H+]1CCOCC[C@H]1C 307263601 697740066 /nfs/dbraw/zinc/74/00/66/697740066.db2.gz VUPFRRXBDZOUAR-SECBINFHSA-N 1 1 189.686 1.850 10 30 ADEEMO C#CCC[N@H+]1CCO[C@@H](C2CC2)C1 307283770 697740525 /nfs/dbraw/zinc/74/05/25/697740525.db2.gz IPJDGFLHHMDWQS-LLVKDONJSA-N 1 1 179.263 1.121 10 30 ADEEMO C#CC[N@H+](CC)[C@@H](C)C1CC1 307638425 697747994 /nfs/dbraw/zinc/74/79/94/697747994.db2.gz AIPQNWUENWOKPG-VIFPVBQESA-N 1 1 151.253 1.740 10 30 ADEEMO C#CC[N@@H+](C)Cc1occc1C 307640094 697748013 /nfs/dbraw/zinc/74/80/13/697748013.db2.gz GLZGHJRQKQHZQI-UHFFFAOYSA-N 1 1 163.220 1.653 10 30 ADEEMO C#CC[N@H+](C)Cc1occc1C 307640094 697748015 /nfs/dbraw/zinc/74/80/15/697748015.db2.gz GLZGHJRQKQHZQI-UHFFFAOYSA-N 1 1 163.220 1.653 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)Cc1ccn(C)c1 307715034 697751458 /nfs/dbraw/zinc/75/14/58/697751458.db2.gz FHDPDCRWIJUYNV-JTQLQIEISA-N 1 1 176.263 1.479 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)CCCC=C 307891608 697752350 /nfs/dbraw/zinc/75/23/50/697752350.db2.gz FMPBMKSNQGEPFJ-SNVBAGLBSA-N 1 1 151.253 1.906 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)CCCC=C 307891607 697752414 /nfs/dbraw/zinc/75/24/14/697752414.db2.gz FMPBMKSNQGEPFJ-JTQLQIEISA-N 1 1 151.253 1.906 10 30 ADEEMO C#CC[NH+](CC#C)CCSCC 307973397 697754141 /nfs/dbraw/zinc/75/41/41/697754141.db2.gz IRHXIJFOMCASKJ-UHFFFAOYSA-N 1 1 181.304 1.308 10 30 ADEEMO C#C[C@H](C)[N@H+](C)CCCCOC 307969146 697754188 /nfs/dbraw/zinc/75/41/88/697754188.db2.gz FQBCURDYKWTSPJ-JTQLQIEISA-N 1 1 169.268 1.367 10 30 ADEEMO C#CC[N@H+](CCF)C1CCCC1 308085907 697756524 /nfs/dbraw/zinc/75/65/24/697756524.db2.gz NWBVYLBYRWEPGH-UHFFFAOYSA-N 1 1 169.243 1.834 10 30 ADEEMO C=CC[N@H+](CCC(C)=O)C(C)C 308130062 697757043 /nfs/dbraw/zinc/75/70/43/697757043.db2.gz XARQTUXMOPOSNO-UHFFFAOYSA-N 1 1 169.268 1.862 10 30 ADEEMO CC(C)CON=C1C[C@H](C)[N@@H+](C)C1 308133073 697757526 /nfs/dbraw/zinc/75/75/26/697757526.db2.gz CHAVXQLOYLNYFU-VIFPVBQESA-N 1 1 184.283 1.739 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)CC[C@@H]1CCOC1 308136669 697757746 /nfs/dbraw/zinc/75/77/46/697757746.db2.gz FUGFUQSEAQJJEZ-GHMZBOCLSA-N 1 1 181.279 1.367 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)CC[C@H]1CCOC1 308136670 697757812 /nfs/dbraw/zinc/75/78/12/697757812.db2.gz FUGFUQSEAQJJEZ-MNOVXSKESA-N 1 1 181.279 1.367 10 30 ADEEMO C=CC[NH+](CC=C)CC[S@](C)=O 308171414 697759254 /nfs/dbraw/zinc/75/92/54/697759254.db2.gz WYIHMSISJMOBOT-LBPRGKRZSA-N 1 1 187.308 1.039 10 30 ADEEMO Cc1[nH+]ccn1CCO[C@H](C)C#N 308172590 697759552 /nfs/dbraw/zinc/75/95/52/697759552.db2.gz DAPVMZKVTGLJPK-MRVPVSSYSA-N 1 1 179.223 1.120 10 30 ADEEMO C=CC[N@H+](CCOC)[C@H](C)C1CC1 308331204 697767668 /nfs/dbraw/zinc/76/76/68/697767668.db2.gz ITOMXWXRJAIZNE-SNVBAGLBSA-N 1 1 183.295 1.919 10 30 ADEEMO C=CC[N@H+](CCOC)[C@@H](C)C1CC1 308331199 697767778 /nfs/dbraw/zinc/76/77/78/697767778.db2.gz ITOMXWXRJAIZNE-JTQLQIEISA-N 1 1 183.295 1.919 10 30 ADEEMO C#CC[N@H+](CC)CC(C)(C)COC 308394039 697769454 /nfs/dbraw/zinc/76/94/54/697769454.db2.gz CKASAVBSIRRZIP-UHFFFAOYSA-N 1 1 183.295 1.614 10 30 ADEEMO C#CC[N@@H+](C)CC[C@@H]1CCCCO1 308483014 697773229 /nfs/dbraw/zinc/77/32/29/697773229.db2.gz NZOKTTKMYFBEES-NSHDSACASA-N 1 1 181.279 1.511 10 30 ADEEMO C#CC[N@@H+](C)CC[C@H]1CCCCO1 308483013 697773477 /nfs/dbraw/zinc/77/34/77/697773477.db2.gz NZOKTTKMYFBEES-LLVKDONJSA-N 1 1 181.279 1.511 10 30 ADEEMO C#C[C@@H](CC)[NH2+]Cc1oc(C)nc1C 311755125 697776203 /nfs/dbraw/zinc/77/62/03/697776203.db2.gz JTHNMQQDHIYBCO-JTQLQIEISA-N 1 1 192.262 1.793 10 30 ADEEMO C#C[C@H](CC)[NH2+]Cc1oc(C)nc1C 311755127 697776444 /nfs/dbraw/zinc/77/64/44/697776444.db2.gz JTHNMQQDHIYBCO-SNVBAGLBSA-N 1 1 192.262 1.793 10 30 ADEEMO C=C(C)CC[N@H+](C)[C@@H]1CCC[C@H]1O 378720403 697784861 /nfs/dbraw/zinc/78/48/61/697784861.db2.gz FSHUHLHNBWEOKK-GHMZBOCLSA-N 1 1 183.295 1.798 10 30 ADEEMO C[C@H](C#N)OCC[N@H+]1C[C@@H](C)[C@H]1C 378729448 697785177 /nfs/dbraw/zinc/78/51/77/697785177.db2.gz ACFTUNDDJZDPKV-OPRDCNLKSA-N 1 1 182.267 1.255 10 30 ADEEMO C[C@H]1[C@H](C)C[N@@H+]1CCO[C@H](C)C#N 378729445 697785182 /nfs/dbraw/zinc/78/51/82/697785182.db2.gz ACFTUNDDJZDPKV-BBBLOLIVSA-N 1 1 182.267 1.255 10 30 ADEEMO C[C@H]1C[N@H+](CCO[C@H](C)C#N)[C@@H]1C 378729447 697785265 /nfs/dbraw/zinc/78/52/65/697785265.db2.gz ACFTUNDDJZDPKV-IVZWLZJFSA-N 1 1 182.267 1.255 10 30 ADEEMO C[C@H]1C[N@H+](CCO[C@H](C)C#N)[C@H]1C 378729442 697785325 /nfs/dbraw/zinc/78/53/25/697785325.db2.gz ACFTUNDDJZDPKV-AEJSXWLSSA-N 1 1 182.267 1.255 10 30 ADEEMO C#CC(C)(C)[N@@H+](C)CCOCC=C 378781552 697787391 /nfs/dbraw/zinc/78/73/91/697787391.db2.gz HTWXFKCEEBOHIX-UHFFFAOYSA-N 1 1 181.279 1.533 10 30 ADEEMO CC(CC(F)(F)F)=[NH+]n1cnnc1 378849118 697789463 /nfs/dbraw/zinc/78/94/63/697789463.db2.gz COAPLJOYMTXLEX-UHFFFAOYSA-N 1 1 192.144 1.455 10 30 ADEEMO CC#CC[N@H+](C)C/C=C\Cl 378867692 697792631 /nfs/dbraw/zinc/79/26/31/697792631.db2.gz FVWAVWQKHWRYNT-WAYWQWQTSA-N 1 1 157.644 1.694 10 30 ADEEMO CC#CC[N@@H+](C)C/C=C\Cl 378867692 697792634 /nfs/dbraw/zinc/79/26/34/697792634.db2.gz FVWAVWQKHWRYNT-WAYWQWQTSA-N 1 1 157.644 1.694 10 30 ADEEMO C#CC[N@H+](CCOCC=C)C1CC1 378866192 697792944 /nfs/dbraw/zinc/79/29/44/697792944.db2.gz BCXHVQCKCYWTLE-UHFFFAOYSA-N 1 1 179.263 1.287 10 30 ADEEMO C[C@H]1C[N@@H+](CCOCCC#N)[C@H]1C 378873085 697794009 /nfs/dbraw/zinc/79/40/09/697794009.db2.gz SRUYMEZDDQTPMR-UWVGGRQHSA-N 1 1 182.267 1.257 10 30 ADEEMO C[C@@H]1C[N@@H+](CCOCCC#N)[C@@H]1C 378873084 697794048 /nfs/dbraw/zinc/79/40/48/697794048.db2.gz SRUYMEZDDQTPMR-NXEZZACHSA-N 1 1 182.267 1.257 10 30 ADEEMO C[C@H]1[C@H](C)C[N@H+]1CCOCCC#N 378873087 697794052 /nfs/dbraw/zinc/79/40/52/697794052.db2.gz SRUYMEZDDQTPMR-ZJUUUORDSA-N 1 1 182.267 1.257 10 30 ADEEMO C[C@H]1C[N@@H+](CCOCCC#N)[C@@H]1C 378873086 697794083 /nfs/dbraw/zinc/79/40/83/697794083.db2.gz SRUYMEZDDQTPMR-VHSXEESVSA-N 1 1 182.267 1.257 10 30 ADEEMO C=CCOCC[N@H+]1CC[C@@H]2C[C@@H]21 378874772 697794462 /nfs/dbraw/zinc/79/44/62/697794462.db2.gz XKCDAHRTIHVEHV-ZJUUUORDSA-N 1 1 167.252 1.283 10 30 ADEEMO C=CCOCC[N@H+]1CC[C@H]2C[C@H]21 378874771 697794476 /nfs/dbraw/zinc/79/44/76/697794476.db2.gz XKCDAHRTIHVEHV-VHSXEESVSA-N 1 1 167.252 1.283 10 30 ADEEMO C=C(Cl)C[N@@H+](C)CCCCO 378901664 697794994 /nfs/dbraw/zinc/79/49/94/697794994.db2.gz FDACJNQEPGVVHX-UHFFFAOYSA-N 1 1 177.675 1.443 10 30 ADEEMO CON=C1CC[N@@H+](C)[C@@H](C)C1 378969779 697795753 /nfs/dbraw/zinc/79/57/53/697795753.db2.gz FUCFNJAMQQZVIY-ZETCQYMHSA-N 1 1 156.229 1.103 10 30 ADEEMO CON=C1CC[N@@H+](C)[C@H](C)C1 378969778 697795766 /nfs/dbraw/zinc/79/57/66/697795766.db2.gz FUCFNJAMQQZVIY-SSDOTTSWSA-N 1 1 156.229 1.103 10 30 ADEEMO C#CC[N@H+](CCSC)C1CC1 378970865 697795847 /nfs/dbraw/zinc/79/58/47/697795847.db2.gz HHDDXTLSSGOOGJ-UHFFFAOYSA-N 1 1 169.293 1.447 10 30 ADEEMO C=C(C)C[N@@H+](C)CCC(C)=O 378986524 697797092 /nfs/dbraw/zinc/79/70/92/697797092.db2.gz YAIRLIHQVFUQEJ-UHFFFAOYSA-N 1 1 155.241 1.473 10 30 ADEEMO C=CC[N@@H+](C)C/C=C\Cl 379042601 697797543 /nfs/dbraw/zinc/79/75/43/697797543.db2.gz DLHMKKBZVXQMMS-PLNGDYQASA-N 1 1 145.633 1.857 10 30 ADEEMO C=CC[N@H+](C)C/C=C\Cl 379042601 697797546 /nfs/dbraw/zinc/79/75/46/697797546.db2.gz DLHMKKBZVXQMMS-PLNGDYQASA-N 1 1 145.633 1.857 10 30 ADEEMO C#CC[N@@H+](CC)CCCC=C 379158301 697798970 /nfs/dbraw/zinc/79/89/70/697798970.db2.gz FZKYJASQJBIYME-UHFFFAOYSA-N 1 1 151.253 1.908 10 30 ADEEMO C#CC[N@H+](C)CC/C=C\CC 379286526 697802885 /nfs/dbraw/zinc/80/28/85/697802885.db2.gz HCEXZRXRRMZGLA-SREVYHEPSA-N 1 1 151.253 1.908 10 30 ADEEMO C#CC[N@H+](C)CC/C=C/CC 379286527 697803174 /nfs/dbraw/zinc/80/31/74/697803174.db2.gz HCEXZRXRRMZGLA-VOTSOKGWSA-N 1 1 151.253 1.908 10 30 ADEEMO C#CC[N@H+](C[C@H]1C[C@@H]1C)C1CC1 379310984 697804124 /nfs/dbraw/zinc/80/41/24/697804124.db2.gz FANNMIQIKOOSIQ-VHSXEESVSA-N 1 1 163.264 1.740 10 30 ADEEMO C#CC[N@H+](C[C@H]1C[C@H]1C)C1CC1 379310982 697804182 /nfs/dbraw/zinc/80/41/82/697804182.db2.gz FANNMIQIKOOSIQ-NXEZZACHSA-N 1 1 163.264 1.740 10 30 ADEEMO C#CC[N@H+](C[C@@H]1C[C@@H]1C)C1CC1 379310983 697804448 /nfs/dbraw/zinc/80/44/48/697804448.db2.gz FANNMIQIKOOSIQ-UWVGGRQHSA-N 1 1 163.264 1.740 10 30 ADEEMO C#CC[N@H+](C[C@@H]1C[C@H]1C)C1CC1 379310985 697804471 /nfs/dbraw/zinc/80/44/71/697804471.db2.gz FANNMIQIKOOSIQ-ZJUUUORDSA-N 1 1 163.264 1.740 10 30 ADEEMO C=C(C)C[N@@H+](CC)CCC(C)=O 379313028 697807304 /nfs/dbraw/zinc/80/73/04/697807304.db2.gz DKKAURUGMRWYNE-UHFFFAOYSA-N 1 1 169.268 1.864 10 30 ADEEMO C#CC[N@H+](CCC(C)=O)C1CC1 379322962 697815879 /nfs/dbraw/zinc/81/58/79/697815879.db2.gz MVIVZNRVXFHIOZ-UHFFFAOYSA-N 1 1 165.236 1.063 10 30 ADEEMO C#CCCC[N@H+](C)C[C@@H](C)OC 379317807 697812146 /nfs/dbraw/zinc/81/21/46/697812146.db2.gz HTDJAZADQCIXBI-SNVBAGLBSA-N 1 1 169.268 1.367 10 30 ADEEMO C#CCCC[N@H+](C)C[C@H](C)OC 379317806 697812191 /nfs/dbraw/zinc/81/21/91/697812191.db2.gz HTDJAZADQCIXBI-JTQLQIEISA-N 1 1 169.268 1.367 10 30 ADEEMO C#CC[N@@H+](CC#CC)CCCF 379322105 697815215 /nfs/dbraw/zinc/81/52/15/697815215.db2.gz GZAMZGVWYJXPNG-UHFFFAOYSA-N 1 1 167.227 1.305 10 30 ADEEMO C#CC[NH+](CC#C)CC=C(C)C 379323486 697816645 /nfs/dbraw/zinc/81/66/45/697816645.db2.gz QIUJSQUPODBFBY-UHFFFAOYSA-N 1 1 161.248 1.521 10 30 ADEEMO C#C[C@H](C)[N@H+](C)CCCOCC 379325654 697818182 /nfs/dbraw/zinc/81/81/82/697818182.db2.gz DHYPLNDLUKRAOQ-JTQLQIEISA-N 1 1 169.268 1.367 10 30 ADEEMO C#C[C@@H](C)[N@H+](C)CCCOCC 379325655 697818395 /nfs/dbraw/zinc/81/83/95/697818395.db2.gz DHYPLNDLUKRAOQ-SNVBAGLBSA-N 1 1 169.268 1.367 10 30 ADEEMO C=C(Cl)C[N@@H+](C)CC1(CO)CC1 379331155 697825189 /nfs/dbraw/zinc/82/51/89/697825189.db2.gz CHJDTOWCQVHIFE-UHFFFAOYSA-N 1 1 189.686 1.443 10 30 ADEEMO C=C(Cl)C[N@H+](C)CC1(CO)CC1 379331155 697825192 /nfs/dbraw/zinc/82/51/92/697825192.db2.gz CHJDTOWCQVHIFE-UHFFFAOYSA-N 1 1 189.686 1.443 10 30 ADEEMO CC#CCO[NH+]=C(N)CCCC 379331633 697826032 /nfs/dbraw/zinc/82/60/32/697826032.db2.gz DOXSQDHONLBHDD-UHFFFAOYSA-N 1 1 168.240 1.698 10 30 ADEEMO C#CC[N@@H+](CC)Cc1ccoc1 379332031 697826260 /nfs/dbraw/zinc/82/62/60/697826260.db2.gz GEUBOJLLNNHSLA-UHFFFAOYSA-N 1 1 163.220 1.735 10 30 ADEEMO C#CC[N@H+](CC)Cc1ccoc1 379332031 697826263 /nfs/dbraw/zinc/82/62/63/697826263.db2.gz GEUBOJLLNNHSLA-UHFFFAOYSA-N 1 1 163.220 1.735 10 30 ADEEMO C=CC[N@@H+](C)Cc1cnoc1C 379332089 697826347 /nfs/dbraw/zinc/82/63/47/697826347.db2.gz GIOBAGOFCNHXBP-UHFFFAOYSA-N 1 1 166.224 1.601 10 30 ADEEMO C=CC[N@H+](C)Cc1cnoc1C 379332089 697826351 /nfs/dbraw/zinc/82/63/51/697826351.db2.gz GIOBAGOFCNHXBP-UHFFFAOYSA-N 1 1 166.224 1.601 10 30 ADEEMO C=C(Cl)C[NH2+][C@@H](C)c1cn[nH]c1 379334499 697828374 /nfs/dbraw/zinc/82/83/74/697828374.db2.gz OQFVVGFSRZZHFT-ZETCQYMHSA-N 1 1 185.658 1.813 10 30 ADEEMO C=C(Cl)C[NH2+][C@H](C)c1cn[nH]c1 379334498 697828391 /nfs/dbraw/zinc/82/83/91/697828391.db2.gz OQFVVGFSRZZHFT-SSDOTTSWSA-N 1 1 185.658 1.813 10 30 ADEEMO C[C@@H](C#N)OCC[N@H+]1CCC[C@H]1C 379352394 697834423 /nfs/dbraw/zinc/83/44/23/697834423.db2.gz BGBBQQQJRKGKKI-ZJUUUORDSA-N 1 1 182.267 1.399 10 30 ADEEMO C[C@@H](C#N)OCC[N@H+]1CCC[C@@H]1C 379352392 697834558 /nfs/dbraw/zinc/83/45/58/697834558.db2.gz BGBBQQQJRKGKKI-UWVGGRQHSA-N 1 1 182.267 1.399 10 30 ADEEMO C[C@H]1CCC[N@@H+]1CCO[C@H](C)C#N 379352393 697834574 /nfs/dbraw/zinc/83/45/74/697834574.db2.gz BGBBQQQJRKGKKI-VHSXEESVSA-N 1 1 182.267 1.399 10 30 ADEEMO C[C@H](C#N)OCC[N@H+]1CCC[C@H]1C 379352391 697834634 /nfs/dbraw/zinc/83/46/34/697834634.db2.gz BGBBQQQJRKGKKI-NXEZZACHSA-N 1 1 182.267 1.399 10 30 ADEEMO C#CC[N@@H+](CC)CCc1nccs1 379358737 697840170 /nfs/dbraw/zinc/84/01/70/697840170.db2.gz WHAFPABNXFXGDX-UHFFFAOYSA-N 1 1 194.303 1.641 10 30 ADEEMO CCON=C1C[N@H+](C2CC2)C[C@H]1C 379360397 697841186 /nfs/dbraw/zinc/84/11/86/697841186.db2.gz BDNBJEDEJFQCIT-MRVPVSSYSA-N 1 1 182.267 1.493 10 30 ADEEMO CCON=C1C[N@H+](C2CC2)C[C@@H]1C 379360398 697841225 /nfs/dbraw/zinc/84/12/25/697841225.db2.gz BDNBJEDEJFQCIT-QMMMGPOBSA-N 1 1 182.267 1.493 10 30 ADEEMO C[C@@H]1CC(=NOCC2CC2)C[N@H+]1C 379361177 697842037 /nfs/dbraw/zinc/84/20/37/697842037.db2.gz CEZXKJFCRAAUCO-MRVPVSSYSA-N 1 1 182.267 1.493 10 30 ADEEMO C[C@H]1CC(=NOCC2CC2)C[N@H+]1C 379361178 697842103 /nfs/dbraw/zinc/84/21/03/697842103.db2.gz CEZXKJFCRAAUCO-QMMMGPOBSA-N 1 1 182.267 1.493 10 30 ADEEMO C=C(Cl)C[NH2+]Cc1cnc(C)nc1 379361432 697842531 /nfs/dbraw/zinc/84/25/31/697842531.db2.gz FGHACGJQVRESNN-UHFFFAOYSA-N 1 1 197.669 1.627 10 30 ADEEMO C=CCCC[N@H+](CC)CC(=O)NC 379375036 697851088 /nfs/dbraw/zinc/85/10/88/697851088.db2.gz OFXHPLOUXUNKEZ-UHFFFAOYSA-N 1 1 184.283 1.021 10 30 ADEEMO C#CCCC[N@@H+]1CC[C@@H](C(F)F)C1 379376651 697852037 /nfs/dbraw/zinc/85/20/37/697852037.db2.gz UKPAVFWSNYOEGX-SECBINFHSA-N 1 1 187.233 1.987 10 30 ADEEMO C#CCCC[N@@H+]1CC[C@H](C(F)F)C1 379376652 697852055 /nfs/dbraw/zinc/85/20/55/697852055.db2.gz UKPAVFWSNYOEGX-VIFPVBQESA-N 1 1 187.233 1.987 10 30 ADEEMO C#CC[N@@H+](CC#CC)CCC(=C)C 379378774 697854602 /nfs/dbraw/zinc/85/46/02/697854602.db2.gz AMERMWQRHHHXEX-UHFFFAOYSA-N 1 1 175.275 1.911 10 30 ADEEMO C#CC[N@H+](Cc1ccoc1)C1CC1 379379086 697855090 /nfs/dbraw/zinc/85/50/90/697855090.db2.gz BEDSKUFONDKRDZ-UHFFFAOYSA-N 1 1 175.231 1.877 10 30 ADEEMO C#CC[N@@H+](Cc1ccoc1)C1CC1 379379086 697855093 /nfs/dbraw/zinc/85/50/93/697855093.db2.gz BEDSKUFONDKRDZ-UHFFFAOYSA-N 1 1 175.231 1.877 10 30 ADEEMO C=CCC[N@H+](C)Cc1cncnc1 379379184 697855171 /nfs/dbraw/zinc/85/51/71/697855171.db2.gz BHYSHCFQGQTXTO-UHFFFAOYSA-N 1 1 177.251 1.485 10 30 ADEEMO C#CCCC[N@H+](C)C1(COC)CC1 379380212 697855864 /nfs/dbraw/zinc/85/58/64/697855864.db2.gz BRYMVTRISKZBOT-UHFFFAOYSA-N 1 1 181.279 1.511 10 30 ADEEMO C=CCC[N@H+](C)CN1CCCC1=O 379380509 697856415 /nfs/dbraw/zinc/85/64/15/697856415.db2.gz DXLVCGSQZINSTA-UHFFFAOYSA-N 1 1 182.267 1.074 10 30 ADEEMO C#CC[N@H+](CC#CC)C[C@@H]1C[C@H]1C 379381925 697857743 /nfs/dbraw/zinc/85/77/43/697857743.db2.gz DJJMWLYDZLRKKX-NEPJUHHUSA-N 1 1 175.275 1.601 10 30 ADEEMO C#CC[N@H+](CC#CC)C[C@H]1C[C@@H]1C 379381927 697857758 /nfs/dbraw/zinc/85/77/58/697857758.db2.gz DJJMWLYDZLRKKX-NWDGAFQWSA-N 1 1 175.275 1.601 10 30 ADEEMO C#CC[N@H+](CC#CC)C[C@@H]1C[C@@H]1C 379381929 697857803 /nfs/dbraw/zinc/85/78/03/697857803.db2.gz DJJMWLYDZLRKKX-RYUDHWBXSA-N 1 1 175.275 1.601 10 30 ADEEMO C#CC[N@H+](CC#CC)C[C@H]1C[C@H]1C 379381930 697857886 /nfs/dbraw/zinc/85/78/86/697857886.db2.gz DJJMWLYDZLRKKX-VXGBXAGGSA-N 1 1 175.275 1.601 10 30 ADEEMO C=CC[N@H+](Cc1cc[nH]n1)C(C)C 379383305 697859354 /nfs/dbraw/zinc/85/93/54/697859354.db2.gz GBNQHVPTYFPUCG-UHFFFAOYSA-N 1 1 179.267 1.806 10 30 ADEEMO C=CC[N@@H+](Cc1cc[nH]n1)C(C)C 379383305 697859357 /nfs/dbraw/zinc/85/93/57/697859357.db2.gz GBNQHVPTYFPUCG-UHFFFAOYSA-N 1 1 179.267 1.806 10 30 ADEEMO C=CCCC[N@H+](C)CC(OC)OC 379383353 697859478 /nfs/dbraw/zinc/85/94/78/697859478.db2.gz GDNFJDCGHMTISG-UHFFFAOYSA-N 1 1 187.283 1.503 10 30 ADEEMO C#CC[N@@H+](C[C@H]1CCSC1)C1CC1 379383793 697859756 /nfs/dbraw/zinc/85/97/56/697859756.db2.gz GOLSKFSMQHAAMR-SNVBAGLBSA-N 1 1 195.331 1.837 10 30 ADEEMO C#CC[N@@H+](C[C@@H]1CCSC1)C1CC1 379383792 697859871 /nfs/dbraw/zinc/85/98/71/697859871.db2.gz GOLSKFSMQHAAMR-JTQLQIEISA-N 1 1 195.331 1.837 10 30 ADEEMO C[C@@H](C#N)OCC[N@H+]1[C@@H](C)C[C@H]1C 379387354 697862882 /nfs/dbraw/zinc/86/28/82/697862882.db2.gz HDKWFNMWQIQERH-AEJSXWLSSA-N 1 1 182.267 1.398 10 30 ADEEMO C=CCCC[N@H+](C)[C@H]1CCOC1=O 379387621 697862979 /nfs/dbraw/zinc/86/29/79/697862979.db2.gz HUVBBMAKHFMFSJ-VIFPVBQESA-N 1 1 183.251 1.200 10 30 ADEEMO C[C@H]1C[C@@H](C)[N@H+]1CCO[C@H](C)C#N 379387355 697863223 /nfs/dbraw/zinc/86/32/23/697863223.db2.gz HDKWFNMWQIQERH-KXUCPTDWSA-N 1 1 182.267 1.398 10 30 ADEEMO C=CCCC[N@H+](C)[C@@H]1CCOC1=O 379387620 697863292 /nfs/dbraw/zinc/86/32/92/697863292.db2.gz HUVBBMAKHFMFSJ-SECBINFHSA-N 1 1 183.251 1.200 10 30 ADEEMO C=CC[N@H+](C)C/C=C(\C)C(=O)OC 379391620 697867165 /nfs/dbraw/zinc/86/71/65/697867165.db2.gz PZYJWNUUVDUWCR-RMKNXTFCSA-N 1 1 183.251 1.224 10 30 ADEEMO C=CC[N@H+](C)C/C=C(/C)C(=O)OC 379391621 697867229 /nfs/dbraw/zinc/86/72/29/697867229.db2.gz PZYJWNUUVDUWCR-TWGQIWQCSA-N 1 1 183.251 1.224 10 30 ADEEMO CO[NH+]=Cc1sc(N(C)C)nc1C 379398625 697873344 /nfs/dbraw/zinc/87/33/44/697873344.db2.gz WYAKPRXWPYZJMV-UHFFFAOYSA-N 1 1 199.279 1.498 10 30 ADEEMO C#CC[N@H+](CC)Cc1cccn1C 379399859 697874416 /nfs/dbraw/zinc/87/44/16/697874416.db2.gz HQZQXFKPEXGVPC-UHFFFAOYSA-N 1 1 176.263 1.480 10 30 ADEEMO C=CCCC[N@H+](C)Cn1cnnc1 379403876 697878847 /nfs/dbraw/zinc/87/88/47/697878847.db2.gz QIJBPVKBHYEIAD-UHFFFAOYSA-N 1 1 180.255 1.134 10 30 ADEEMO C#CC[N@@H+](CC)CC[C@@H]1CCCO1 379408909 697884254 /nfs/dbraw/zinc/88/42/54/697884254.db2.gz BXUYEWRZANXBCJ-NSHDSACASA-N 1 1 181.279 1.511 10 30 ADEEMO C#CC[N@@H+](CC)CC[C@H]1CCCO1 379408908 697884561 /nfs/dbraw/zinc/88/45/61/697884561.db2.gz BXUYEWRZANXBCJ-LLVKDONJSA-N 1 1 181.279 1.511 10 30 ADEEMO C#CC[N@@H+](C)CCc1ncc(C)s1 379410688 697886303 /nfs/dbraw/zinc/88/63/03/697886303.db2.gz GPMUZTHJPKIHNO-UHFFFAOYSA-N 1 1 194.303 1.559 10 30 ADEEMO C[C@@H](C#N)OCC[N@H+]1CCCC[C@H]1C 379483134 697895561 /nfs/dbraw/zinc/89/55/61/697895561.db2.gz DXEXSAMRVKQHLF-MNOVXSKESA-N 1 1 196.294 1.789 10 30 ADEEMO C[C@H](C#N)OCC[N@@H+](C)C1CCCC1 379482361 697895641 /nfs/dbraw/zinc/89/56/41/697895641.db2.gz BKOHGSZGIVRSKJ-SNVBAGLBSA-N 1 1 196.294 1.789 10 30 ADEEMO C[C@H]1CCCC[N@@H+]1CCO[C@H](C)C#N 379483136 697895662 /nfs/dbraw/zinc/89/56/62/697895662.db2.gz DXEXSAMRVKQHLF-WDEREUQCSA-N 1 1 196.294 1.789 10 30 ADEEMO C[C@@H](C#N)OCC[N@@H+](C)C1CCCC1 379482360 697895731 /nfs/dbraw/zinc/89/57/31/697895731.db2.gz BKOHGSZGIVRSKJ-JTQLQIEISA-N 1 1 196.294 1.789 10 30 ADEEMO C[C@H](C#N)OCC[N@H+]1CCCC[C@H]1C 379483133 697895747 /nfs/dbraw/zinc/89/57/47/697895747.db2.gz DXEXSAMRVKQHLF-GHMZBOCLSA-N 1 1 196.294 1.789 10 30 ADEEMO C[C@@H](C#N)OCC[N@H+]1CCCC[C@@H]1C 379483135 697895912 /nfs/dbraw/zinc/89/59/12/697895912.db2.gz DXEXSAMRVKQHLF-QWRGUYRKSA-N 1 1 196.294 1.789 10 30 ADEEMO CC[C@H]1CCC[N@H+]1CCO[C@H](C)C#N 379485171 697896449 /nfs/dbraw/zinc/89/64/49/697896449.db2.gz HXNDKXWIZVSXRC-MNOVXSKESA-N 1 1 196.294 1.789 10 30 ADEEMO CC[C@@H]1CCC[N@H+]1CCO[C@H](C)C#N 379485166 697896570 /nfs/dbraw/zinc/89/65/70/697896570.db2.gz HXNDKXWIZVSXRC-GHMZBOCLSA-N 1 1 196.294 1.789 10 30 ADEEMO CC[C@H]1CCC[N@H+]1CCO[C@@H](C)C#N 379485176 697896601 /nfs/dbraw/zinc/89/66/01/697896601.db2.gz HXNDKXWIZVSXRC-QWRGUYRKSA-N 1 1 196.294 1.789 10 30 ADEEMO CC[C@@H]1CCC[N@H+]1CCO[C@@H](C)C#N 379485178 697896650 /nfs/dbraw/zinc/89/66/50/697896650.db2.gz HXNDKXWIZVSXRC-WDEREUQCSA-N 1 1 196.294 1.789 10 30 ADEEMO CCC[N@@H+](CCO[C@@H](C)C#N)C1CC1 379496656 697897028 /nfs/dbraw/zinc/89/70/28/697897028.db2.gz FWDGXBPHGWZIJR-JTQLQIEISA-N 1 1 196.294 1.789 10 30 ADEEMO C#C[C@H]([NH2+]Cc1cc(C)no1)C(C)C 379506530 697897144 /nfs/dbraw/zinc/89/71/44/697897144.db2.gz QRFXTCZZDZMFIM-NSHDSACASA-N 1 1 192.262 1.730 10 30 ADEEMO CCC[N@@H+](CCO[C@H](C)C#N)C1CC1 379496658 697897164 /nfs/dbraw/zinc/89/71/64/697897164.db2.gz FWDGXBPHGWZIJR-SNVBAGLBSA-N 1 1 196.294 1.789 10 30 ADEEMO C#C[C@@H]([NH2+]Cc1cc(C)no1)C(C)C 379506526 697897262 /nfs/dbraw/zinc/89/72/62/697897262.db2.gz QRFXTCZZDZMFIM-LLVKDONJSA-N 1 1 192.262 1.730 10 30 ADEEMO CC1(C)[C@H](O)CC[N@H+]1CCCCC#N 379625576 697905788 /nfs/dbraw/zinc/90/57/88/697905788.db2.gz JTMCPXCFAUPWHQ-SNVBAGLBSA-N 1 1 196.294 1.525 10 30 ADEEMO CC1(C)[C@@H](O)CC[N@H+]1CCCCC#N 379625574 697906005 /nfs/dbraw/zinc/90/60/05/697906005.db2.gz JTMCPXCFAUPWHQ-JTQLQIEISA-N 1 1 196.294 1.525 10 30 ADEEMO C#CCC[N@@H+]1CC[C@@](C)(COC)C1 381700314 697913393 /nfs/dbraw/zinc/91/33/93/697913393.db2.gz GXKSERXWVPYELY-LLVKDONJSA-N 1 1 181.279 1.368 10 30 ADEEMO C#CCCC[N@@H+]1CC[C@@](C)(COC)C1 381683098 697913410 /nfs/dbraw/zinc/91/34/10/697913410.db2.gz DJAZTDTYHVPYKM-GFCCVEGCSA-N 1 1 195.306 1.758 10 30 ADEEMO C#CCCC[N@@H+]1CC[C@](C)(COC)C1 381683103 697913519 /nfs/dbraw/zinc/91/35/19/697913519.db2.gz DJAZTDTYHVPYKM-LBPRGKRZSA-N 1 1 195.306 1.758 10 30 ADEEMO C#CCC[N@@H+]1CC[C@](C)(COC)C1 381700316 697913603 /nfs/dbraw/zinc/91/36/03/697913603.db2.gz GXKSERXWVPYELY-NSHDSACASA-N 1 1 181.279 1.368 10 30 ADEEMO C#CC[N@@H+]1CC[C@@H](OCC(C)C)C1 381908962 697916140 /nfs/dbraw/zinc/91/61/40/697916140.db2.gz FWLKIAJUPYSVBS-LLVKDONJSA-N 1 1 181.279 1.367 10 30 ADEEMO C#CC[N@@H+]1CC[C@H](OCC(C)C)C1 381908963 697916113 /nfs/dbraw/zinc/91/61/13/697916113.db2.gz FWLKIAJUPYSVBS-NSHDSACASA-N 1 1 181.279 1.367 10 30 ADEEMO C[C@@H](C#N)OCC[N@@H+](C)C(C)(C)C 381958607 697916588 /nfs/dbraw/zinc/91/65/88/697916588.db2.gz FGMHTSKFJYJDTD-VIFPVBQESA-N 1 1 184.283 1.645 10 30 ADEEMO C[C@H](C#N)OCC[N@@H+](C)C(C)(C)C 381958602 697916684 /nfs/dbraw/zinc/91/66/84/697916684.db2.gz FGMHTSKFJYJDTD-SECBINFHSA-N 1 1 184.283 1.645 10 30 ADEEMO C#CCOCn1cc[nH+]c1CC 382102976 697917956 /nfs/dbraw/zinc/91/79/56/697917956.db2.gz HHJCKYYJAMWAOM-UHFFFAOYSA-N 1 1 164.208 1.053 10 30 ADEEMO C=CCC[N@H+](C)C/C=C\C(=O)OCC 382525877 697924446 /nfs/dbraw/zinc/92/44/46/697924446.db2.gz GJOYALPDGXIDGS-FPLPWBNLSA-N 1 1 197.278 1.614 10 30 ADEEMO C=CCC[N@@H+](C)CC(=O)OCCCC 382520892 697924642 /nfs/dbraw/zinc/92/46/42/697924642.db2.gz AAYFPPCUPGDKGQ-UHFFFAOYSA-N 1 1 199.294 1.838 10 30 ADEEMO C=C(C)C[N@H+](C)C/C=C/C(=O)OCC 382523982 697924542 /nfs/dbraw/zinc/92/45/42/697924542.db2.gz CXCSIDMAMXFPBL-VOTSOKGWSA-N 1 1 197.278 1.614 10 30 ADEEMO C=CCC[N@H+](C)CC(=O)OCCCC 382520892 697924645 /nfs/dbraw/zinc/92/46/45/697924645.db2.gz AAYFPPCUPGDKGQ-UHFFFAOYSA-N 1 1 199.294 1.838 10 30 ADEEMO C#CC[N@@H+](CC)C/C=C(/C)C(=O)OC 382506457 697924723 /nfs/dbraw/zinc/92/47/23/697924723.db2.gz XSGMTIVZUKNVJB-YFHOEESVSA-N 1 1 195.262 1.061 10 30 ADEEMO C=CCC[N@H+](C)C/C=C(/C)C(=O)OC 382522175 697924756 /nfs/dbraw/zinc/92/47/56/697924756.db2.gz BGMBOZCUZFPIMV-YFHOEESVSA-N 1 1 197.278 1.614 10 30 ADEEMO C=CCC[N@H+](C)C/C=C/C(=O)OCC 382525875 697924783 /nfs/dbraw/zinc/92/47/83/697924783.db2.gz GJOYALPDGXIDGS-BQYQJAHWSA-N 1 1 197.278 1.614 10 30 ADEEMO C#CC[N@H+](CC)C/C=C\C(=O)OCC 382470722 697924802 /nfs/dbraw/zinc/92/48/02/697924802.db2.gz BFFGUGJPDKJNAV-FPLPWBNLSA-N 1 1 195.262 1.061 10 30 ADEEMO C=C(C)C[N@H+](C)C/C=C\C(=O)OCC 382523980 697924806 /nfs/dbraw/zinc/92/48/06/697924806.db2.gz CXCSIDMAMXFPBL-SREVYHEPSA-N 1 1 197.278 1.614 10 30 ADEEMO C=CCC[N@H+](C)C/C=C(\C)C(=O)OC 382522174 697924814 /nfs/dbraw/zinc/92/48/14/697924814.db2.gz BGMBOZCUZFPIMV-JXMROGBWSA-N 1 1 197.278 1.614 10 30 ADEEMO C=C(C)C[N@H+](C)C/C=C(/C)C(=O)OC 382524510 697924816 /nfs/dbraw/zinc/92/48/16/697924816.db2.gz DRTXPPXECMAYHZ-POHAHGRESA-N 1 1 197.278 1.614 10 30 ADEEMO C=C(C)C[N@H+](C)C/C=C(\C)C(=O)OC 382524511 697924836 /nfs/dbraw/zinc/92/48/36/697924836.db2.gz DRTXPPXECMAYHZ-UXBLZVDNSA-N 1 1 197.278 1.614 10 30 ADEEMO C#CC[N@H+](CC)C/C=C/C(=O)OCC 382470704 697924845 /nfs/dbraw/zinc/92/48/45/697924845.db2.gz BFFGUGJPDKJNAV-BQYQJAHWSA-N 1 1 195.262 1.061 10 30 ADEEMO C#CC[N@@H+](CC)C/C=C(\C)C(=O)OC 382506456 697924858 /nfs/dbraw/zinc/92/48/58/697924858.db2.gz XSGMTIVZUKNVJB-JXMROGBWSA-N 1 1 195.262 1.061 10 30 ADEEMO C#CCC[N@H+](C)[C@@H](C)C(C)(C)O 382776854 697925602 /nfs/dbraw/zinc/92/56/02/697925602.db2.gz BYQKNNAULUOSHA-VIFPVBQESA-N 1 1 169.268 1.101 10 30 ADEEMO C#CCC[N@H+](C)[C@H](C)C(C)(C)O 382776853 697925667 /nfs/dbraw/zinc/92/56/67/697925667.db2.gz BYQKNNAULUOSHA-SECBINFHSA-N 1 1 169.268 1.101 10 30 ADEEMO C#CCC[N@@H+]1CC[C@H](CO)[C@@H]1CC 385762220 697934658 /nfs/dbraw/zinc/93/46/58/697934658.db2.gz XVHBHEBGUSQZSI-MNOVXSKESA-N 1 1 181.279 1.103 10 30 ADEEMO C#CCCC[N@@H+]1CC[C@H](CO)[C@@H]1CC 385618770 697934769 /nfs/dbraw/zinc/93/47/69/697934769.db2.gz GQWFTJZDLXVKHE-NEPJUHHUSA-N 1 1 195.306 1.493 10 30 ADEEMO C#CCCC[N@@H+]1CC[C@@H](CO)[C@@H]1CC 385618772 697934835 /nfs/dbraw/zinc/93/48/35/697934835.db2.gz GQWFTJZDLXVKHE-RYUDHWBXSA-N 1 1 195.306 1.493 10 30 ADEEMO C=CCOCC[N@@H+]1CC[C@@H](O)C1(C)C 385866533 697934840 /nfs/dbraw/zinc/93/48/40/697934840.db2.gz YBKYJUDWTWIOLW-SNVBAGLBSA-N 1 1 199.294 1.034 10 30 ADEEMO C#CCCC[N@@H+]1CC[C@@H](CO)[C@H]1CC 385618771 697934864 /nfs/dbraw/zinc/93/48/64/697934864.db2.gz GQWFTJZDLXVKHE-NWDGAFQWSA-N 1 1 195.306 1.493 10 30 ADEEMO C=CCOCC[N@@H+]1CC[C@H](O)C1(C)C 385866531 697934892 /nfs/dbraw/zinc/93/48/92/697934892.db2.gz YBKYJUDWTWIOLW-JTQLQIEISA-N 1 1 199.294 1.034 10 30 ADEEMO C#CCC[N@@H+]1CC[C@@H](CO)[C@@H]1CC 385762221 697934904 /nfs/dbraw/zinc/93/49/04/697934904.db2.gz XVHBHEBGUSQZSI-QWRGUYRKSA-N 1 1 181.279 1.103 10 30 ADEEMO C#CCC[N@@H+]1CC[C@@H](CO)[C@H]1CC 385762222 697934925 /nfs/dbraw/zinc/93/49/25/697934925.db2.gz XVHBHEBGUSQZSI-WDEREUQCSA-N 1 1 181.279 1.103 10 30 ADEEMO C#CCC[N@@H+]1CC[C@H](CO)[C@H]1CC 385762219 697935108 /nfs/dbraw/zinc/93/51/08/697935108.db2.gz XVHBHEBGUSQZSI-GHMZBOCLSA-N 1 1 181.279 1.103 10 30 ADEEMO C#CCCC[N@@H+]1CC[C@H](CO)[C@H]1CC 385618773 697935142 /nfs/dbraw/zinc/93/51/42/697935142.db2.gz GQWFTJZDLXVKHE-VXGBXAGGSA-N 1 1 195.306 1.493 10 30 ADEEMO C#CC[N@H+](C)C/C=C\Cl 387851091 697938851 /nfs/dbraw/zinc/93/88/51/697938851.db2.gz FNIXDYPQXLUWEV-PLNGDYQASA-N 1 1 143.617 1.304 10 30 ADEEMO C#CC[N@@H+](C)C/C=C\Cl 387851091 697938857 /nfs/dbraw/zinc/93/88/57/697938857.db2.gz FNIXDYPQXLUWEV-PLNGDYQASA-N 1 1 143.617 1.304 10 30 ADEEMO C=C(Cl)C[N@@H+](C)CCOCC 388139556 697943178 /nfs/dbraw/zinc/94/31/78/697943178.db2.gz ATAHAVHIGJLIFJ-UHFFFAOYSA-N 1 1 177.675 1.707 10 30 ADEEMO C=C(Cl)C[N@H+](C)CCOCC 388139556 697943180 /nfs/dbraw/zinc/94/31/80/697943180.db2.gz ATAHAVHIGJLIFJ-UHFFFAOYSA-N 1 1 177.675 1.707 10 30 ADEEMO C=CCC[C@H](O)C[N@H+]1CC[C@@H]2C[C@@H]21 388348890 697954186 /nfs/dbraw/zinc/95/41/86/697954186.db2.gz NNSFJXHIWVZTLB-VWYCJHECSA-N 1 1 181.279 1.408 10 30 ADEEMO C=CCC[C@H](O)C[N@H+]1CC[C@H]2C[C@H]21 388348887 697954523 /nfs/dbraw/zinc/95/45/23/697954523.db2.gz NNSFJXHIWVZTLB-GARJFASQSA-N 1 1 181.279 1.408 10 30 ADEEMO C#CC[N@@H+](CC)CCC(=O)CC 388393620 697958914 /nfs/dbraw/zinc/95/89/14/697958914.db2.gz FFJSYANYISIRLV-UHFFFAOYSA-N 1 1 167.252 1.311 10 30 ADEEMO C#CC[N@@H+](CC)Cc1ccno1 388415677 697963036 /nfs/dbraw/zinc/96/30/36/697963036.db2.gz AZSUDYIXTFPDBU-UHFFFAOYSA-N 1 1 164.208 1.130 10 30 ADEEMO C#CC[N@H+](CC)Cc1ccno1 388415677 697963039 /nfs/dbraw/zinc/96/30/39/697963039.db2.gz AZSUDYIXTFPDBU-UHFFFAOYSA-N 1 1 164.208 1.130 10 30 ADEEMO C#CC[N@H+](C)C1CC(OCC)C1 388421083 697964144 /nfs/dbraw/zinc/96/41/44/697964144.db2.gz HRLQPHRRFHSFRE-UHFFFAOYSA-N 1 1 167.252 1.119 10 30 ADEEMO C#C[C@@H](C)[N@H+](C)C[C@H](C)COC 388433822 697964950 /nfs/dbraw/zinc/96/49/50/697964950.db2.gz OUUYGYTVVGUVFM-VHSXEESVSA-N 1 1 169.268 1.222 10 30 ADEEMO C#C[C@H](C)[N@H+](C)C[C@@H](C)COC 388433825 697965059 /nfs/dbraw/zinc/96/50/59/697965059.db2.gz OUUYGYTVVGUVFM-ZJUUUORDSA-N 1 1 169.268 1.222 10 30 ADEEMO C#C[C@@H](C)[N@H+](C)C[C@@H](C)COC 388433808 697965082 /nfs/dbraw/zinc/96/50/82/697965082.db2.gz OUUYGYTVVGUVFM-NXEZZACHSA-N 1 1 169.268 1.222 10 30 ADEEMO C#C[C@H](C)[N@H+](C)C[C@H](C)COC 388433816 697965139 /nfs/dbraw/zinc/96/51/39/697965139.db2.gz OUUYGYTVVGUVFM-UWVGGRQHSA-N 1 1 169.268 1.222 10 30 ADEEMO C=C(Cl)C[N@@H+](C)[C@H]1C[C@@H](OC)C1 388454726 697966834 /nfs/dbraw/zinc/96/68/34/697966834.db2.gz ZKLJLYPEQWQRAL-DTORHVGOSA-N 1 1 189.686 1.848 10 30 ADEEMO C=C(Cl)C[N@H+](C)[C@H]1C[C@@H](OC)C1 388454726 697966836 /nfs/dbraw/zinc/96/68/36/697966836.db2.gz ZKLJLYPEQWQRAL-DTORHVGOSA-N 1 1 189.686 1.848 10 30 ADEEMO CCON=C1CCC[N@@H+](C)CC1 388490529 697969626 /nfs/dbraw/zinc/96/96/26/697969626.db2.gz GSDMBLJYVYUSSA-UHFFFAOYSA-N 1 1 170.256 1.495 10 30 ADEEMO C=CCCC[N@H+](C)CCC(C)=O 388502415 697970771 /nfs/dbraw/zinc/97/07/71/697970771.db2.gz MTNMYWBFSZTHOH-UHFFFAOYSA-N 1 1 169.268 1.864 10 30 ADEEMO C#C[C@H](C)[N@H+](C)CCC(C)(C)OC 388580524 697974417 /nfs/dbraw/zinc/97/44/17/697974417.db2.gz BFJLWICNTUSKPC-JTQLQIEISA-N 1 1 183.295 1.755 10 30 ADEEMO C#C[C@@H](C)[N@H+](C)CCC(C)(C)OC 388580525 697974571 /nfs/dbraw/zinc/97/45/71/697974571.db2.gz BFJLWICNTUSKPC-SNVBAGLBSA-N 1 1 183.295 1.755 10 30 ADEEMO C[C@H](C#N)OCC[N@@H+](C)CC1CC1 388598146 697976850 /nfs/dbraw/zinc/97/68/50/697976850.db2.gz PECMKFSJWBGPNZ-SECBINFHSA-N 1 1 182.267 1.257 10 30 ADEEMO C#CC[N@H+](CC)Cc1cccnc1 388596593 697976867 /nfs/dbraw/zinc/97/68/67/697976867.db2.gz CZNAZCOHAGSXBO-UHFFFAOYSA-N 1 1 174.247 1.537 10 30 ADEEMO C[C@@H](C#N)OCC[N@@H+](C)CC1CC1 388598147 697977029 /nfs/dbraw/zinc/97/70/29/697977029.db2.gz PECMKFSJWBGPNZ-VIFPVBQESA-N 1 1 182.267 1.257 10 30 ADEEMO C#CC[N@@H+](C)CCOCC1CCC1 388613822 697979176 /nfs/dbraw/zinc/97/91/76/697979176.db2.gz ABBXEFSZWYWMTN-UHFFFAOYSA-N 1 1 181.279 1.368 10 30 ADEEMO C#CCC[N@H+](C(C)C)[C@H]1CCOC1 388617744 697979494 /nfs/dbraw/zinc/97/94/94/697979494.db2.gz DIQKPPUESBHIIK-NSHDSACASA-N 1 1 181.279 1.509 10 30 ADEEMO C#CCC[N@H+](C(C)C)[C@@H]1CCOC1 388617743 697979772 /nfs/dbraw/zinc/97/97/72/697979772.db2.gz DIQKPPUESBHIIK-LLVKDONJSA-N 1 1 181.279 1.509 10 30 ADEEMO C=CC[N@@H+](C)Cc1cnc(Cl)cn1 388619382 697980321 /nfs/dbraw/zinc/98/03/21/697980321.db2.gz DXWGLVFLTSQGDE-UHFFFAOYSA-N 1 1 197.669 1.748 10 30 ADEEMO C=CC[N@H+](C)Cc1cnc(Cl)cn1 388619382 697980322 /nfs/dbraw/zinc/98/03/22/697980322.db2.gz DXWGLVFLTSQGDE-UHFFFAOYSA-N 1 1 197.669 1.748 10 30 ADEEMO C[NH+]1CCN(N=CC2(C)CC2)CC1 388620133 697980692 /nfs/dbraw/zinc/98/06/92/697980692.db2.gz GUSZMBLPKJKZJC-UHFFFAOYSA-N 1 1 181.283 1.020 10 30 ADEEMO C#CCCC[N@H+](C)CC1(CO)CC1 388666172 697986353 /nfs/dbraw/zinc/98/63/53/697986353.db2.gz WRIKKYCQIQSXPU-UHFFFAOYSA-N 1 1 181.279 1.104 10 30 ADEEMO C#CCCC[N@H+](C[C@@H](C)O)C(C)C 388736664 697991309 /nfs/dbraw/zinc/99/13/09/697991309.db2.gz WRSRJOZBVWFDNY-LLVKDONJSA-N 1 1 183.295 1.491 10 30 ADEEMO C#CCCC[N@H+](C[C@H](C)O)C(C)C 388736665 697991399 /nfs/dbraw/zinc/99/13/99/697991399.db2.gz WRSRJOZBVWFDNY-NSHDSACASA-N 1 1 183.295 1.491 10 30 ADEEMO C#CCCC[N@H+](C)[C@H]1C[C@@H](OC)C1 388749142 697992339 /nfs/dbraw/zinc/99/23/39/697992339.db2.gz ZTTUDJVEYPMTOU-PHIMTYICSA-N 1 1 181.279 1.509 10 30 ADEEMO CC[C@H](C)C[N@@H+](C)CCO[C@@H](C)C#N 388851651 698000278 /nfs/dbraw/zinc/00/02/78/698000278.db2.gz BJKXSPHUPABKTC-QWRGUYRKSA-N 1 1 198.310 1.893 10 30 ADEEMO CC[C@H](C)C[N@@H+](C)CCO[C@H](C)C#N 388851652 698000372 /nfs/dbraw/zinc/00/03/72/698000372.db2.gz BJKXSPHUPABKTC-WDEREUQCSA-N 1 1 198.310 1.893 10 30 ADEEMO CC[C@@H](C)C[N@@H+](C)CCO[C@H](C)C#N 388851633 698000415 /nfs/dbraw/zinc/00/04/15/698000415.db2.gz BJKXSPHUPABKTC-GHMZBOCLSA-N 1 1 198.310 1.893 10 30 ADEEMO CC[C@@H](C)C[N@@H+](C)CCO[C@@H](C)C#N 388851650 698000534 /nfs/dbraw/zinc/00/05/34/698000534.db2.gz BJKXSPHUPABKTC-MNOVXSKESA-N 1 1 198.310 1.893 10 30 ADEEMO C#CC[NH+](CC#C)CCSC(C)C 388933767 698003332 /nfs/dbraw/zinc/00/33/32/698003332.db2.gz UYEBAIBVBLOJIL-UHFFFAOYSA-N 1 1 195.331 1.696 10 30 ADEEMO C#CCCC[NH2+]C(C)(C)C(=O)OCC 389260091 698006776 /nfs/dbraw/zinc/00/67/76/698006776.db2.gz HNOSKOLFULHGJG-UHFFFAOYSA-N 1 1 197.278 1.331 10 30 ADEEMO C=CC[NH2+]Cc1nnc(CC)s1 391931603 698011935 /nfs/dbraw/zinc/01/19/35/698011935.db2.gz YPDDTPXHJQCOND-UHFFFAOYSA-N 1 1 183.280 1.376 10 30 ADEEMO C=C(CC)C[NH2+]Cc1nnc(C)s1 392047858 698011964 /nfs/dbraw/zinc/01/19/64/698011964.db2.gz NXBXQIQANIWABD-UHFFFAOYSA-N 1 1 197.307 1.902 10 30 ADEEMO Cc1nnc(C[NH2+]CCCC#N)s1 392036464 698012042 /nfs/dbraw/zinc/01/20/42/698012042.db2.gz JUUQNBIXXSWPRK-UHFFFAOYSA-N 1 1 196.279 1.240 10 30 ADEEMO C=C(C)C[NH2+]Cc1nnc(CC)s1 392125079 698012152 /nfs/dbraw/zinc/01/21/52/698012152.db2.gz WEHGRUKCUIEHLC-UHFFFAOYSA-N 1 1 197.307 1.766 10 30 ADEEMO C=C[C@H](C)[NH2+]Cc1nnc(CC)s1 392117046 698012177 /nfs/dbraw/zinc/01/21/77/698012177.db2.gz QMZJLUAKVZRXNJ-ZETCQYMHSA-N 1 1 197.307 1.765 10 30 ADEEMO C=C[C@@H](C)[NH2+]Cc1nnc(C)s1 391958853 698012245 /nfs/dbraw/zinc/01/22/45/698012245.db2.gz FSTYQAHKNTUIOZ-ZCFIWIBFSA-N 1 1 183.280 1.511 10 30 ADEEMO C=C[C@H](C)[NH2+]Cc1nnc(C)s1 391958847 698012310 /nfs/dbraw/zinc/01/23/10/698012310.db2.gz FSTYQAHKNTUIOZ-LURJTMIESA-N 1 1 183.280 1.511 10 30 ADEEMO C=C[C@@H](C)[NH2+]Cc1nnc(CC)s1 392117042 698012366 /nfs/dbraw/zinc/01/23/66/698012366.db2.gz QMZJLUAKVZRXNJ-SSDOTTSWSA-N 1 1 197.307 1.765 10 30 ADEEMO C#CCCC[N@H+](C)[C@@H](CC)CO 393272561 698014375 /nfs/dbraw/zinc/01/43/75/698014375.db2.gz ANNCBNKVTBIJGC-JTQLQIEISA-N 1 1 169.268 1.103 10 30 ADEEMO C#CCCC[N@H+](C)[C@H](CC)CO 393272562 698014544 /nfs/dbraw/zinc/01/45/44/698014544.db2.gz ANNCBNKVTBIJGC-SNVBAGLBSA-N 1 1 169.268 1.103 10 30 ADEEMO C#CC[N@H+](C)CCC1(OC)CCC1 393944993 698028722 /nfs/dbraw/zinc/02/87/22/698028722.db2.gz DUOADOVMFDCFJX-UHFFFAOYSA-N 1 1 181.279 1.511 10 30 ADEEMO C#CCCC[N@@H+](C)CCCCO 393334348 698016407 /nfs/dbraw/zinc/01/64/07/698016407.db2.gz XDSOESANGZCCAH-UHFFFAOYSA-N 1 1 169.268 1.104 10 30 ADEEMO C=C(C)CNN=C1C[N@@H+](C)C[C@@H]1C 393717255 698025115 /nfs/dbraw/zinc/02/51/15/698025115.db2.gz AAUXWXZAVWRFTP-VIFPVBQESA-N 1 1 181.283 1.090 10 30 ADEEMO C=C(C)CNN=C1C[N@H+](C)C[C@@H]1C 393717255 698025118 /nfs/dbraw/zinc/02/51/18/698025118.db2.gz AAUXWXZAVWRFTP-VIFPVBQESA-N 1 1 181.283 1.090 10 30 ADEEMO C=C(C)CNN=C1C[N@@H+](C)C[C@H]1C 393717254 698025301 /nfs/dbraw/zinc/02/53/01/698025301.db2.gz AAUXWXZAVWRFTP-SECBINFHSA-N 1 1 181.283 1.090 10 30 ADEEMO C=C(C)CNN=C1C[N@H+](C)C[C@H]1C 393717254 698025304 /nfs/dbraw/zinc/02/53/04/698025304.db2.gz AAUXWXZAVWRFTP-SECBINFHSA-N 1 1 181.283 1.090 10 30 ADEEMO C#CCCC[N@@H+](C)Cc1nccs1 393718875 698025541 /nfs/dbraw/zinc/02/55/41/698025541.db2.gz GKWPWDOEZGTZSI-UHFFFAOYSA-N 1 1 194.303 1.988 10 30 ADEEMO C#CCCC[N@H+](C)Cc1nccs1 393718875 698025545 /nfs/dbraw/zinc/02/55/45/698025545.db2.gz GKWPWDOEZGTZSI-UHFFFAOYSA-N 1 1 194.303 1.988 10 30 ADEEMO C#C[C@H]([NH2+]Cc1cocn1)C(C)C 393718445 698025648 /nfs/dbraw/zinc/02/56/48/698025648.db2.gz WMXBYADWCSQBEK-JTQLQIEISA-N 1 1 178.235 1.422 10 30 ADEEMO C#C[C@@H]([NH2+]Cc1cocn1)C(C)C 393718446 698025819 /nfs/dbraw/zinc/02/58/19/698025819.db2.gz WMXBYADWCSQBEK-SNVBAGLBSA-N 1 1 178.235 1.422 10 30 ADEEMO C#CC[N@H+](CC#CC)C[Si](C)(C)C 393720622 698026371 /nfs/dbraw/zinc/02/63/71/698026371.db2.gz DSPJZKHPFVKXBS-UHFFFAOYSA-N 1 1 193.366 1.822 10 30 ADEEMO C[C@H]1C[C@@H](C)[N@H+]1CCOCCC#N 393918471 698028173 /nfs/dbraw/zinc/02/81/73/698028173.db2.gz OGRPVBQDEXBXKH-AOOOYVTPSA-N 1 1 182.267 1.399 10 30 ADEEMO C#CCCC[N@@H+]1CC[C@@H](SC)C1 394838531 698032146 /nfs/dbraw/zinc/03/21/46/698032146.db2.gz DGHUABYRTAFRIO-SNVBAGLBSA-N 1 1 183.320 1.837 10 30 ADEEMO C#CCCC[N@@H+]1CC[C@H](SC)C1 394838530 698032157 /nfs/dbraw/zinc/03/21/57/698032157.db2.gz DGHUABYRTAFRIO-JTQLQIEISA-N 1 1 183.320 1.837 10 30 ADEEMO C#C[C@@](C)(CC)[NH2+]Cc1ccn(C)n1 395239933 698034323 /nfs/dbraw/zinc/03/43/23/698034323.db2.gz VHAVUEYJGKUETM-NSHDSACASA-N 1 1 191.278 1.312 10 30 ADEEMO C#C[C@](C)(CC)[NH2+]Cc1ccn(C)n1 395239930 698034264 /nfs/dbraw/zinc/03/42/64/698034264.db2.gz VHAVUEYJGKUETM-LLVKDONJSA-N 1 1 191.278 1.312 10 30 ADEEMO C#CCCC[N@H+](C)CCCCOC 397342979 698038910 /nfs/dbraw/zinc/03/89/10/698038910.db2.gz HKRDGZAKLOPJIQ-UHFFFAOYSA-N 1 1 183.295 1.758 10 30 ADEEMO C#C[C@@H](CC)[NH2+]Cc1cnc(C)o1 397985927 698040377 /nfs/dbraw/zinc/04/03/77/698040377.db2.gz KEQKDLUUAAEYOV-VIFPVBQESA-N 1 1 178.235 1.484 10 30 ADEEMO C#C[C@H](CC)[NH2+]Cc1cnc(C)o1 397985924 698040427 /nfs/dbraw/zinc/04/04/27/698040427.db2.gz KEQKDLUUAAEYOV-SECBINFHSA-N 1 1 178.235 1.484 10 30 ADEEMO C#CCC[N@@H+]1C[C@H](CC)O[C@H](CC)C1 398819584 698043316 /nfs/dbraw/zinc/04/33/16/698043316.db2.gz CQEDDLNSGZIOLK-TXEJJXNPSA-N 1 1 195.306 1.899 10 30 ADEEMO C#CC[N@H+]1C[C@H](OC)CC[C@H]1C 606249069 698045837 /nfs/dbraw/zinc/04/58/37/698045837.db2.gz PKVFCIDFMSQCMC-NXEZZACHSA-N 1 1 167.252 1.119 10 30 ADEEMO C#CC[N@H+]1CCC[C@H](F)C1 606244570 698045415 /nfs/dbraw/zinc/04/54/15/698045415.db2.gz BXQMEJXZWSQMSP-QMMMGPOBSA-N 1 1 141.189 1.054 10 30 ADEEMO C#CC[N@@H+]1CCC[C@H](F)C1 606244570 698045419 /nfs/dbraw/zinc/04/54/19/698045419.db2.gz BXQMEJXZWSQMSP-QMMMGPOBSA-N 1 1 141.189 1.054 10 30 ADEEMO C#CC[N@H+]1CCC[C@@H](F)C1 606244551 698045426 /nfs/dbraw/zinc/04/54/26/698045426.db2.gz BXQMEJXZWSQMSP-MRVPVSSYSA-N 1 1 141.189 1.054 10 30 ADEEMO C#CC[N@@H+]1CCC[C@@H](F)C1 606244551 698045429 /nfs/dbraw/zinc/04/54/29/698045429.db2.gz BXQMEJXZWSQMSP-MRVPVSSYSA-N 1 1 141.189 1.054 10 30 ADEEMO C#CC[N@H+]1CCC12CCCC2 606246248 698045552 /nfs/dbraw/zinc/04/55/52/698045552.db2.gz HLSKBZDSDARZNA-UHFFFAOYSA-N 1 1 149.237 1.638 10 30 ADEEMO C#CC[N@H+]1C[C@H](OC)CC[C@@H]1C 606249071 698045620 /nfs/dbraw/zinc/04/56/20/698045620.db2.gz PKVFCIDFMSQCMC-VHSXEESVSA-N 1 1 167.252 1.119 10 30 ADEEMO C#CC[N@H+]1CCCC2(CC1)CC2 606248294 698045690 /nfs/dbraw/zinc/04/56/90/698045690.db2.gz HCSOVWXWAHWCKX-UHFFFAOYSA-N 1 1 163.264 1.886 10 30 ADEEMO C#CCC[N@H+]1CCC[C@@H](C#C)C1 606248022 698045714 /nfs/dbraw/zinc/04/57/14/698045714.db2.gz YVMHXRURMWYTRZ-LLVKDONJSA-N 1 1 161.248 1.355 10 30 ADEEMO C#CCC[N@H+]1CCC[C@H](C#C)C1 606248023 698045938 /nfs/dbraw/zinc/04/59/38/698045938.db2.gz YVMHXRURMWYTRZ-NSHDSACASA-N 1 1 161.248 1.355 10 30 ADEEMO C#CC[N@H+]1C[C@@H](OC)CC[C@@H]1C 606249070 698046027 /nfs/dbraw/zinc/04/60/27/698046027.db2.gz PKVFCIDFMSQCMC-UWVGGRQHSA-N 1 1 167.252 1.119 10 30 ADEEMO C#CC[N@H+]1C[C@@H](OC)CC[C@H]1C 606249072 698046165 /nfs/dbraw/zinc/04/61/65/698046165.db2.gz PKVFCIDFMSQCMC-ZJUUUORDSA-N 1 1 167.252 1.119 10 30 ADEEMO C#CC[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 606250297 698046290 /nfs/dbraw/zinc/04/62/90/698046290.db2.gz BEDURPHTPYJJBN-ZJUUUORDSA-N 1 1 167.252 1.119 10 30 ADEEMO C#CCC[N@@H+]1CC[C@@](C)(C#N)C1 606249270 698046391 /nfs/dbraw/zinc/04/63/91/698046391.db2.gz CMTHKKSVKAFKNO-JTQLQIEISA-N 1 1 162.236 1.245 10 30 ADEEMO C#CCC[N@@H+]1CC[C@](C)(C#N)C1 606249272 698046700 /nfs/dbraw/zinc/04/67/00/698046700.db2.gz CMTHKKSVKAFKNO-SNVBAGLBSA-N 1 1 162.236 1.245 10 30 ADEEMO C#CC[N@@H+]1CCCC(F)(F)CC1 606253242 698046763 /nfs/dbraw/zinc/04/67/63/698046763.db2.gz GQTBOBRGWWTBOB-UHFFFAOYSA-N 1 1 173.206 1.741 10 30 ADEEMO C#CC[N@@H+]1CCO[C@](C)(C2CC2)C1 606255323 698047205 /nfs/dbraw/zinc/04/72/05/698047205.db2.gz LQJCYCDFMQEHGG-NSHDSACASA-N 1 1 179.263 1.121 10 30 ADEEMO C#CC[N@H+]1CCO[C@](C)(C2CC2)C1 606255323 698047209 /nfs/dbraw/zinc/04/72/09/698047209.db2.gz LQJCYCDFMQEHGG-NSHDSACASA-N 1 1 179.263 1.121 10 30 ADEEMO C#CC[N@@H+]1CCO[C@@](C)(C2CC2)C1 606255318 698047373 /nfs/dbraw/zinc/04/73/73/698047373.db2.gz LQJCYCDFMQEHGG-LLVKDONJSA-N 1 1 179.263 1.121 10 30 ADEEMO C#CC[N@H+]1CCO[C@@](C)(C2CC2)C1 606255318 698047380 /nfs/dbraw/zinc/04/73/80/698047380.db2.gz LQJCYCDFMQEHGG-LLVKDONJSA-N 1 1 179.263 1.121 10 30 ADEEMO C#CCC[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 606255983 698047610 /nfs/dbraw/zinc/04/76/10/698047610.db2.gz VXDVHJJGVRQHEK-MNOVXSKESA-N 1 1 181.279 1.509 10 30 ADEEMO C#CC1(O)CC[NH+](CC(=C)Cl)CC1 606272092 698051026 /nfs/dbraw/zinc/05/10/26/698051026.db2.gz FBYFOSUZZRCFOB-UHFFFAOYSA-N 1 1 199.681 1.199 10 30 ADEEMO C#CC[N@@H+](C)Cc1cncc(OC)c1 700035164 698051678 /nfs/dbraw/zinc/05/16/78/698051678.db2.gz BJGWJKBAOXOONE-UHFFFAOYSA-N 1 1 190.246 1.155 10 30 ADEEMO C#CC[N@H+](C)Cc1cncc(OC)c1 700035164 698051684 /nfs/dbraw/zinc/05/16/84/698051684.db2.gz BJGWJKBAOXOONE-UHFFFAOYSA-N 1 1 190.246 1.155 10 30 ADEEMO COCC[N@H+](CCF)CCCC#N 700238902 698051896 /nfs/dbraw/zinc/05/18/96/698051896.db2.gz RBCXGSJOSKIXKM-UHFFFAOYSA-N 1 1 188.246 1.208 10 30 ADEEMO COCC[N@@H+](CCF)CCCC#N 700238902 698051900 /nfs/dbraw/zinc/05/19/00/698051900.db2.gz RBCXGSJOSKIXKM-UHFFFAOYSA-N 1 1 188.246 1.208 10 30 ADEEMO C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)S2 703838670 698052851 /nfs/dbraw/zinc/05/28/51/698052851.db2.gz AUBPXFMOALZAGP-MNOVXSKESA-N 1 1 195.331 1.980 10 30 ADEEMO C#CC[N@H+](C)C[C@@H]1CCC(C)(C)O1 706554596 698055335 /nfs/dbraw/zinc/05/53/35/698055335.db2.gz FRXZZERXTGRNJQ-JTQLQIEISA-N 1 1 181.279 1.509 10 30 ADEEMO C#CC[N@H+](C)C[C@H]1CCC(C)(C)O1 706554600 698055661 /nfs/dbraw/zinc/05/56/61/698055661.db2.gz FRXZZERXTGRNJQ-SNVBAGLBSA-N 1 1 181.279 1.509 10 30 ADEEMO C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)S2 707340814 698056170 /nfs/dbraw/zinc/05/61/70/698056170.db2.gz MFCQFFPUKJQKKC-ZJUUUORDSA-N 1 1 181.304 1.590 10 30 ADEEMO C#CCCC[N@H+]1CCC12CCOCC2 707594760 698056601 /nfs/dbraw/zinc/05/66/01/698056601.db2.gz CZTGFSSUEFMQGB-UHFFFAOYSA-N 1 1 193.290 1.655 10 30 ADEEMO C#CCCC[N@H+](C)CCn1cccn1 707594946 698056746 /nfs/dbraw/zinc/05/67/46/698056746.db2.gz FDFHHHPZXKMCTH-UHFFFAOYSA-N 1 1 191.278 1.228 10 30 ADEEMO N#CCC[NH2+]CCc1ccns1 709965729 698057844 /nfs/dbraw/zinc/05/78/44/698057844.db2.gz CZTWMBQGOVTVPI-UHFFFAOYSA-N 1 1 181.264 1.189 10 30 ADEEMO N#CCCC[N@@H+]1C[C@H]2CSC[C@H]2C1 712377762 698058710 /nfs/dbraw/zinc/05/87/10/698058710.db2.gz PCFSNQODEPTJOL-AOOOYVTPSA-N 1 1 196.319 1.585 10 30 ADEEMO N#CCC[N@@H+]1C[C@H]2CSC[C@H]2C1 712380355 698058852 /nfs/dbraw/zinc/05/88/52/698058852.db2.gz YUUFNKHOPRAFPP-DTORHVGOSA-N 1 1 182.292 1.195 10 30 ADEEMO C=CCCC[N@@H+](CCNC)C(C)C 720778328 698067592 /nfs/dbraw/zinc/06/75/92/698067592.db2.gz AWYPOSRXPZIKDR-UHFFFAOYSA-N 1 1 184.327 1.882 10 30 ADEEMO C=CCCC[N@H+](CCNC)C(C)C 720778328 698067596 /nfs/dbraw/zinc/06/75/96/698067596.db2.gz AWYPOSRXPZIKDR-UHFFFAOYSA-N 1 1 184.327 1.882 10 30 ADEEMO CO[C@H]1C[C@@H](C[N@@H+](C)CCC#N)C1 721134993 698068961 /nfs/dbraw/zinc/06/89/61/698068961.db2.gz PLQBRGXCJDXPFP-AOOOYVTPSA-N 1 1 182.267 1.257 10 30 ADEEMO COC[C@H](C[N@@H+](C)CCC#N)C(C)C 721733633 698069252 /nfs/dbraw/zinc/06/92/52/698069252.db2.gz KBHCYPDIHFMDIE-NSHDSACASA-N 1 1 198.310 1.750 10 30 ADEEMO C=CCC[N@@H+]1CC[C@@H](C(C)(C)O)C1 721830030 698069385 /nfs/dbraw/zinc/06/93/85/698069385.db2.gz BNASMOATBHJYRL-SNVBAGLBSA-N 1 1 183.295 1.655 10 30 ADEEMO N#Cc1cncc(C[N@H+]2CC[C@@H]3C[C@@H]32)c1 721573709 698069409 /nfs/dbraw/zinc/06/94/09/698069409.db2.gz XFIJKGFKPQXIQL-NEPJUHHUSA-N 1 1 199.257 1.547 10 30 ADEEMO N#Cc1cncc(C[N@H+]2CC[C@H]3C[C@H]32)c1 721573710 698069488 /nfs/dbraw/zinc/06/94/88/698069488.db2.gz XFIJKGFKPQXIQL-NWDGAFQWSA-N 1 1 199.257 1.547 10 30 ADEEMO C#CCCC[N@@H+]1CC[C@@H](C(C)(C)O)C1 721786860 698069559 /nfs/dbraw/zinc/06/95/59/698069559.db2.gz DTIQHPXMSGTDSM-LLVKDONJSA-N 1 1 195.306 1.493 10 30 ADEEMO C=CCC[N@@H+]1CC[C@H](C(C)(C)O)C1 721830024 698069664 /nfs/dbraw/zinc/06/96/64/698069664.db2.gz BNASMOATBHJYRL-JTQLQIEISA-N 1 1 183.295 1.655 10 30 ADEEMO CC#CCC[N@H+]1CC[C@H](C(C)(C)O)C1 721836460 698069764 /nfs/dbraw/zinc/06/97/64/698069764.db2.gz IVTNBVGJBSUQPS-NSHDSACASA-N 1 1 195.306 1.493 10 30 ADEEMO CC#CCC[N@H+]1CC[C@@H](C(C)(C)O)C1 721836458 698070098 /nfs/dbraw/zinc/07/00/98/698070098.db2.gz IVTNBVGJBSUQPS-LLVKDONJSA-N 1 1 195.306 1.493 10 30 ADEEMO C#CCC[N@@H+](CC#C)C(C)(C)C 722958904 698071707 /nfs/dbraw/zinc/07/17/07/698071707.db2.gz UMXYHVQNXRDRJD-UHFFFAOYSA-N 1 1 163.264 1.743 10 30 ADEEMO C#CC[N@H+](CCC(=O)OC)C(C)(C)C 723036093 698072570 /nfs/dbraw/zinc/07/25/70/698072570.db2.gz LMPXIPWXLPJMIO-UHFFFAOYSA-N 1 1 197.278 1.283 10 30 ADEEMO C#C[C@](C)(CC)[NH2+]Cc1coc(C)n1 723661547 698073797 /nfs/dbraw/zinc/07/37/97/698073797.db2.gz ZBMCPGJOCJYYLD-LLVKDONJSA-N 1 1 192.262 1.875 10 30 ADEEMO C#C[C@@](C)(CC)[NH2+]Cc1coc(C)n1 723661548 698073918 /nfs/dbraw/zinc/07/39/18/698073918.db2.gz ZBMCPGJOCJYYLD-NSHDSACASA-N 1 1 192.262 1.875 10 30 ADEEMO C#CCCC[N@H+](C)[C@H]1CC[C@@H]1OC 724153238 698075113 /nfs/dbraw/zinc/07/51/13/698075113.db2.gz DLAPVPUCCPRPIZ-QWRGUYRKSA-N 1 1 181.279 1.509 10 30 ADEEMO C#CCCC[N@H+](C)[C@@H]1CC[C@@H]1OC 724153237 698075529 /nfs/dbraw/zinc/07/55/29/698075529.db2.gz DLAPVPUCCPRPIZ-MNOVXSKESA-N 1 1 181.279 1.509 10 30 ADEEMO C#CCCC[N@H+](C)[C@@H]1CC[C@H]1OC 724153236 698075557 /nfs/dbraw/zinc/07/55/57/698075557.db2.gz DLAPVPUCCPRPIZ-GHMZBOCLSA-N 1 1 181.279 1.509 10 30 ADEEMO C#CCCC[N@H+](C)[C@H]1CC[C@H]1OC 724153239 698075575 /nfs/dbraw/zinc/07/55/75/698075575.db2.gz DLAPVPUCCPRPIZ-WDEREUQCSA-N 1 1 181.279 1.509 10 30 ADEEMO C#CCC[N@H+](C)[C@H]1CC[C@H]1OC 724156882 698075694 /nfs/dbraw/zinc/07/56/94/698075694.db2.gz URHSCZSLYLJFSS-VHSXEESVSA-N 1 1 167.252 1.119 10 30 ADEEMO C#CCC[N@H+](C)[C@@H]1CC[C@@H]1OC 724156883 698075701 /nfs/dbraw/zinc/07/57/01/698075701.db2.gz URHSCZSLYLJFSS-ZJUUUORDSA-N 1 1 167.252 1.119 10 30 ADEEMO CO[C@@H]1CC[C@@H]1[N@H+](C)CCC#N 724156490 698075742 /nfs/dbraw/zinc/07/57/42/698075742.db2.gz JSCWWXCOYWDUFQ-DTWKUNHWSA-N 1 1 168.240 1.009 10 30 ADEEMO CO[C@@H]1CC[C@@H]1[N@@H+](C)CCC#N 724156490 698075745 /nfs/dbraw/zinc/07/57/45/698075745.db2.gz JSCWWXCOYWDUFQ-DTWKUNHWSA-N 1 1 168.240 1.009 10 30 ADEEMO CO[C@@H]1CC[C@@H]1[N@@H+](C)CCCCC#N 724156502 698075767 /nfs/dbraw/zinc/07/57/67/698075767.db2.gz JVYISBPWMSDMOL-WDEREUQCSA-N 1 1 196.294 1.789 10 30 ADEEMO CO[C@@H]1CC[C@@H]1[N@@H+](C)CCCC#N 724158487 698075774 /nfs/dbraw/zinc/07/57/74/698075774.db2.gz OVYPVIKKLDQHJJ-VHSXEESVSA-N 1 1 182.267 1.399 10 30 ADEEMO CO[C@H]1CC[C@H]1[N@@H+](C)CCCCC#N 724156498 698075780 /nfs/dbraw/zinc/07/57/80/698075780.db2.gz JVYISBPWMSDMOL-MNOVXSKESA-N 1 1 196.294 1.789 10 30 ADEEMO C#CCC[N@H+](C)[C@H]1CC[C@@H]1OC 724156875 698075881 /nfs/dbraw/zinc/07/58/81/698075881.db2.gz URHSCZSLYLJFSS-UWVGGRQHSA-N 1 1 167.252 1.119 10 30 ADEEMO CO[C@H]1CC[C@H]1[N@H+](C)CCC#N 724156488 698075927 /nfs/dbraw/zinc/07/59/27/698075927.db2.gz JSCWWXCOYWDUFQ-BDAKNGLRSA-N 1 1 168.240 1.009 10 30 ADEEMO CO[C@H]1CC[C@H]1[N@@H+](C)CCC#N 724156488 698075932 /nfs/dbraw/zinc/07/59/32/698075932.db2.gz JSCWWXCOYWDUFQ-BDAKNGLRSA-N 1 1 168.240 1.009 10 30 ADEEMO CO[C@@H]1CC[C@H]1[N@@H+](C)[C@H](C)CCC#N 724157879 698075984 /nfs/dbraw/zinc/07/59/84/698075984.db2.gz CPIYZSGONJOJBD-GMTAPVOTSA-N 1 1 196.294 1.788 10 30 ADEEMO CO[C@@H]1CC[C@@H]1[N@@H+](C)[C@@H](C)CCC#N 724157878 698076008 /nfs/dbraw/zinc/07/60/08/698076008.db2.gz CPIYZSGONJOJBD-GARJFASQSA-N 1 1 196.294 1.788 10 30 ADEEMO CO[C@H]1CC[C@@H]1[N@@H+](C)CCCC#N 724158486 698076053 /nfs/dbraw/zinc/07/60/53/698076053.db2.gz OVYPVIKKLDQHJJ-UWVGGRQHSA-N 1 1 182.267 1.399 10 30 ADEEMO CO[C@@H]1CC[C@H]1[N@@H+](C)[C@@H](C)CCC#N 724157880 698076086 /nfs/dbraw/zinc/07/60/86/698076086.db2.gz CPIYZSGONJOJBD-HBNTYKKESA-N 1 1 196.294 1.788 10 30 ADEEMO CO[C@@H]1CC[C@@H]1[N@@H+](C)[C@H](C)CCC#N 724157881 698076112 /nfs/dbraw/zinc/07/61/12/698076112.db2.gz CPIYZSGONJOJBD-OUAUKWLOSA-N 1 1 196.294 1.788 10 30 ADEEMO CO[C@H]1CC[C@H]1[N@@H+](C)CCCC#N 724158488 698076129 /nfs/dbraw/zinc/07/61/29/698076129.db2.gz OVYPVIKKLDQHJJ-ZJUUUORDSA-N 1 1 182.267 1.399 10 30 ADEEMO C#CCC[N@H+](C)[C@@H]1CC[C@H]1OC 724156873 698076189 /nfs/dbraw/zinc/07/61/89/698076189.db2.gz URHSCZSLYLJFSS-NXEZZACHSA-N 1 1 167.252 1.119 10 30 ADEEMO CO[C@H]1CC[C@@H]1[N@@H+](C)CCCCC#N 724156500 698076215 /nfs/dbraw/zinc/07/62/15/698076215.db2.gz JVYISBPWMSDMOL-QWRGUYRKSA-N 1 1 196.294 1.789 10 30 ADEEMO CO[C@@H]1CC[C@H]1[N@@H+](C)CCCC#N 724158484 698076226 /nfs/dbraw/zinc/07/62/26/698076226.db2.gz OVYPVIKKLDQHJJ-NXEZZACHSA-N 1 1 182.267 1.399 10 30 ADEEMO CO[C@@H]1CC[C@H]1[N@H+](C)CCC#N 724156494 698076261 /nfs/dbraw/zinc/07/62/61/698076261.db2.gz JSCWWXCOYWDUFQ-RKDXNWHRSA-N 1 1 168.240 1.009 10 30 ADEEMO CO[C@@H]1CC[C@H]1[N@@H+](C)CCC#N 724156494 698076264 /nfs/dbraw/zinc/07/62/64/698076264.db2.gz JSCWWXCOYWDUFQ-RKDXNWHRSA-N 1 1 168.240 1.009 10 30 ADEEMO CO[C@@H]1CC[C@H]1[N@@H+](C)CCCCC#N 724156496 698076283 /nfs/dbraw/zinc/07/62/83/698076283.db2.gz JVYISBPWMSDMOL-GHMZBOCLSA-N 1 1 196.294 1.789 10 30 ADEEMO CO[C@H]1CC[C@@H]1[N@H+](C)CCC#N 724156491 698076304 /nfs/dbraw/zinc/07/63/04/698076304.db2.gz JSCWWXCOYWDUFQ-IUCAKERBSA-N 1 1 168.240 1.009 10 30 ADEEMO CO[C@H]1CC[C@@H]1[N@@H+](C)CCC#N 724156491 698076308 /nfs/dbraw/zinc/07/63/08/698076308.db2.gz JSCWWXCOYWDUFQ-IUCAKERBSA-N 1 1 168.240 1.009 10 30 ADEEMO C=C1CCC(CN[C@H]2CC[NH2+]C2)CC1 724486494 698076395 /nfs/dbraw/zinc/07/63/95/698076395.db2.gz REQIBUPMOJBGMY-LBPRGKRZSA-N 1 1 194.322 1.684 10 30 ADEEMO C=C1CCC(CN[C@@H]2CC[NH2+]C2)CC1 724486492 698076468 /nfs/dbraw/zinc/07/64/68/698076468.db2.gz REQIBUPMOJBGMY-GFCCVEGCSA-N 1 1 194.322 1.684 10 30 ADEEMO C#CCC[N@H+]1CC[C@@H]2OCC[C@@H]2C1 724838669 698077919 /nfs/dbraw/zinc/07/79/19/698077919.db2.gz GOQNQZAJAQSBRO-MNOVXSKESA-N 1 1 179.263 1.121 10 30 ADEEMO C=CCC[N@H+](C)C1(CN)CCOCC1 725052383 698078607 /nfs/dbraw/zinc/07/86/07/698078607.db2.gz BSGLFJHAOZRLMU-UHFFFAOYSA-N 1 1 198.310 1.002 10 30 ADEEMO C=CCCN(C)C1(C[NH3+])CCOCC1 725052383 698078610 /nfs/dbraw/zinc/07/86/10/698078610.db2.gz BSGLFJHAOZRLMU-UHFFFAOYSA-N 1 1 198.310 1.002 10 30 ADEEMO C#CC[N@@H+](C)CCOc1ccccc1 726889350 698079320 /nfs/dbraw/zinc/07/93/20/698079320.db2.gz BXALWTUGWHYBPT-UHFFFAOYSA-N 1 1 189.258 1.630 10 30 ADEEMO C#CC[N@H+](CCC)C[C@H]1CCCCO1 730264424 698082695 /nfs/dbraw/zinc/08/26/95/698082695.db2.gz RVFONCBUYCUUAT-GFCCVEGCSA-N 1 1 195.306 1.901 10 30 ADEEMO C#CC[N@H+](CCC)C[C@@H]1CCCCO1 730264426 698082755 /nfs/dbraw/zinc/08/27/55/698082755.db2.gz RVFONCBUYCUUAT-LBPRGKRZSA-N 1 1 195.306 1.901 10 30 ADEEMO C#CC[N@@H+](CC)CC[C@@H]1CCCCO1 754049508 698085532 /nfs/dbraw/zinc/08/55/32/698085532.db2.gz DMACYGJBQOVTKR-LBPRGKRZSA-N 1 1 195.306 1.901 10 30 ADEEMO C#CC[N@@H+](CC)CC[C@H]1CCCCO1 754049507 698085709 /nfs/dbraw/zinc/08/57/09/698085709.db2.gz DMACYGJBQOVTKR-GFCCVEGCSA-N 1 1 195.306 1.901 10 30 ADEEMO C#CCC[N@H+]1CCC[C@H]2COCC[C@H]21 760843743 698088114 /nfs/dbraw/zinc/08/81/14/698088114.db2.gz MJJSBORWRZFUEJ-NWDGAFQWSA-N 1 1 193.290 1.511 10 30 ADEEMO C#CCC[N@H+]1CCC[C@H]2COCC[C@@H]21 760843744 698088165 /nfs/dbraw/zinc/08/81/65/698088165.db2.gz MJJSBORWRZFUEJ-RYUDHWBXSA-N 1 1 193.290 1.511 10 30 ADEEMO C#CCC[N@H+](C)[C@@H]1CCN(C)[C@H](C)C1 760845060 698088178 /nfs/dbraw/zinc/08/81/78/698088178.db2.gz XPGKIQSNEPSMLF-VXGBXAGGSA-N 1 1 194.322 1.424 10 30 ADEEMO C#CCC[N@H+](C)[C@H]1CCN(C)[C@@H](C)C1 760845058 698088305 /nfs/dbraw/zinc/08/83/05/698088305.db2.gz XPGKIQSNEPSMLF-RYUDHWBXSA-N 1 1 194.322 1.424 10 30 ADEEMO C#CCC[N@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 760845056 698088330 /nfs/dbraw/zinc/08/83/30/698088330.db2.gz XPGKIQSNEPSMLF-NWDGAFQWSA-N 1 1 194.322 1.424 10 30 ADEEMO C#CCC[N@H+]1CCC[C@@H]2COCC[C@@H]21 760843740 698088443 /nfs/dbraw/zinc/08/84/43/698088443.db2.gz MJJSBORWRZFUEJ-NEPJUHHUSA-N 1 1 193.290 1.511 10 30 ADEEMO C#CCC[N@H+](C)[C@H]1CCN(C)[C@H](C)C1 760845052 698088452 /nfs/dbraw/zinc/08/84/52/698088452.db2.gz XPGKIQSNEPSMLF-NEPJUHHUSA-N 1 1 194.322 1.424 10 30 ADEEMO C#CCC[N@H+]1CCC[C@@H]2COCC[C@H]21 760843747 698088549 /nfs/dbraw/zinc/08/85/49/698088549.db2.gz MJJSBORWRZFUEJ-VXGBXAGGSA-N 1 1 193.290 1.511 10 30 ADEEMO C#CC[N@H+](C[C@H](C)CO)C1CCCC1 766903250 698090205 /nfs/dbraw/zinc/09/02/05/698090205.db2.gz BIMISBMZPVYEIF-NSHDSACASA-N 1 1 195.306 1.493 10 30 ADEEMO C#CC[N@H+](C[C@@H](C)CO)C1CCCC1 766903247 698090229 /nfs/dbraw/zinc/09/02/29/698090229.db2.gz BIMISBMZPVYEIF-LLVKDONJSA-N 1 1 195.306 1.493 10 30 ADEEMO C#C[C@H](C)[N@H+](C)Cc1ccnc(C#N)c1 769976339 698091897 /nfs/dbraw/zinc/09/18/97/698091897.db2.gz ZNCKXQAPQWFGEO-JTQLQIEISA-N 1 1 199.257 1.407 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)Cc1ccnc(C#N)c1 769976339 698091901 /nfs/dbraw/zinc/09/19/01/698091901.db2.gz ZNCKXQAPQWFGEO-JTQLQIEISA-N 1 1 199.257 1.407 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)Cc1ccnc(C#N)c1 769976344 698091934 /nfs/dbraw/zinc/09/19/34/698091934.db2.gz ZNCKXQAPQWFGEO-SNVBAGLBSA-N 1 1 199.257 1.407 10 30 ADEEMO C#C[C@@H](C)[N@H+](C)Cc1ccnc(C#N)c1 769976344 698091929 /nfs/dbraw/zinc/09/19/29/698091929.db2.gz ZNCKXQAPQWFGEO-SNVBAGLBSA-N 1 1 199.257 1.407 10 30 ADEEMO C#C[C@@H](C)[N@H+](C)CC#Cc1ccccc1 769975744 698092132 /nfs/dbraw/zinc/09/21/32/698092132.db2.gz LGYLIRAWWSOANB-CYBMUJFWSA-N 1 1 197.281 1.992 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)CC#Cc1ccccc1 769975744 698092136 /nfs/dbraw/zinc/09/21/36/698092136.db2.gz LGYLIRAWWSOANB-CYBMUJFWSA-N 1 1 197.281 1.992 10 30 ADEEMO COCC#CC[N@H+]1CCCC12CCC2 769984095 698092175 /nfs/dbraw/zinc/09/21/75/698092175.db2.gz KUFOQFPDPCQYME-UHFFFAOYSA-N 1 1 193.290 1.655 10 30 ADEEMO C#C[C@@H](C)[N@H+](C)C/C=C(/C)C(=O)OC 769975847 698092194 /nfs/dbraw/zinc/09/21/94/698092194.db2.gz MSNYMIMACPIKMC-UJICNMFASA-N 1 1 195.262 1.059 10 30 ADEEMO C#C[C@H](C)[N@H+](C)C/C=C(/C)C(=O)OC 769975844 698092331 /nfs/dbraw/zinc/09/23/31/698092331.db2.gz MSNYMIMACPIKMC-RNKPRXRFSA-N 1 1 195.262 1.059 10 30 ADEEMO C#C[C@H](C)[N@H+](C)CC#Cc1ccccc1 769975745 698092433 /nfs/dbraw/zinc/09/24/33/698092433.db2.gz LGYLIRAWWSOANB-ZDUSSCGKSA-N 1 1 197.281 1.992 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)CC#Cc1ccccc1 769975745 698092437 /nfs/dbraw/zinc/09/24/37/698092437.db2.gz LGYLIRAWWSOANB-ZDUSSCGKSA-N 1 1 197.281 1.992 10 30 ADEEMO C#C[C@@H](C)[N@H+](C)Cc1cc(C)ccn1 769977268 698092455 /nfs/dbraw/zinc/09/24/55/698092455.db2.gz CZOLWXMUIIENTD-LLVKDONJSA-N 1 1 188.274 1.844 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)Cc1cc(C)ccn1 769977268 698092458 /nfs/dbraw/zinc/09/24/58/698092458.db2.gz CZOLWXMUIIENTD-LLVKDONJSA-N 1 1 188.274 1.844 10 30 ADEEMO C#C[C@H](C)[N@H+](C)Cc1cc(C)ccn1 769977269 698092500 /nfs/dbraw/zinc/09/25/00/698092500.db2.gz CZOLWXMUIIENTD-NSHDSACASA-N 1 1 188.274 1.844 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)Cc1cc(C)ccn1 769977269 698092505 /nfs/dbraw/zinc/09/25/05/698092505.db2.gz CZOLWXMUIIENTD-NSHDSACASA-N 1 1 188.274 1.844 10 30 ADEEMO C#C[C@H](C)[N@H+](C)C/C=C(\C)C(=O)OC 769975843 698092692 /nfs/dbraw/zinc/09/26/92/698092692.db2.gz MSNYMIMACPIKMC-PCYYEKQGSA-N 1 1 195.262 1.059 10 30 ADEEMO C#C[C@@H](C)[N@H+](C)C/C=C(\C)C(=O)OC 769975846 698092705 /nfs/dbraw/zinc/09/27/05/698092705.db2.gz MSNYMIMACPIKMC-TTZKWOQHSA-N 1 1 195.262 1.059 10 30 ADEEMO C#CCCC[N@H+](C)[C@H]1CC[C@H](O)CC1 784395550 698096278 /nfs/dbraw/zinc/09/62/78/698096278.db2.gz XLEJRVJTJBMSSS-HAQNSBGRSA-N 1 1 195.306 1.635 10 30 ADEEMO C#CC[N@@H+](CC)Cc1cc(C)ncn1 794392521 698097422 /nfs/dbraw/zinc/09/74/22/698097422.db2.gz HRAZKSCDELHEKT-UHFFFAOYSA-N 1 1 189.262 1.240 10 30 ADEEMO C#CC[N@H+](CC)Cc1cc(C)ncn1 794392521 698097428 /nfs/dbraw/zinc/09/74/28/698097428.db2.gz HRAZKSCDELHEKT-UHFFFAOYSA-N 1 1 189.262 1.240 10 30 ADEEMO C#CC[N@H+](C[C@H](C)O)C1CCCC1 799127693 698099088 /nfs/dbraw/zinc/09/90/88/698099088.db2.gz HTMAYUVCROTARE-JTQLQIEISA-N 1 1 181.279 1.245 10 30 ADEEMO C#CC[N@H+](C[C@@H](C)O)C1CCCC1 799127694 698099326 /nfs/dbraw/zinc/09/93/26/698099326.db2.gz HTMAYUVCROTARE-SNVBAGLBSA-N 1 1 181.279 1.245 10 30 ADEEMO C#CC[N@@H+](CCOC1CCC1)C1CC1 805749881 698102104 /nfs/dbraw/zinc/10/21/04/698102104.db2.gz BGJQPTANYAPYHH-UHFFFAOYSA-N 1 1 193.290 1.653 10 30 ADEEMO C#CCCC[N@H+](C(C)C)[C@H]1CCOC1 812861110 698105016 /nfs/dbraw/zinc/10/50/16/698105016.db2.gz HETBOLPCVVRZTH-LBPRGKRZSA-N 1 1 195.306 1.899 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)Cc1ccncc1C 824296416 698108554 /nfs/dbraw/zinc/10/85/54/698108554.db2.gz DKKPTRHSBNZNQC-LLVKDONJSA-N 1 1 188.274 1.844 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)Cc1ccncc1C 824296418 698108600 /nfs/dbraw/zinc/10/86/00/698108600.db2.gz DKKPTRHSBNZNQC-NSHDSACASA-N 1 1 188.274 1.844 10 30 ADEEMO C#CC[N@@H+](CC)CCC[C@@H]1CCOC1 827975582 698110923 /nfs/dbraw/zinc/11/09/23/698110923.db2.gz JDCCETLOMAXWNB-GFCCVEGCSA-N 1 1 195.306 1.758 10 30 ADEEMO C#CC[N@H+](CC)CC1CC(F)(F)C1 827990001 698110806 /nfs/dbraw/zinc/11/08/06/698110806.db2.gz AKLSPYLFDIIWKN-UHFFFAOYSA-N 1 1 187.233 1.987 10 30 ADEEMO C#CC[N@@H+](CC)CCC(=O)CC(C)C 827975575 698110898 /nfs/dbraw/zinc/11/08/98/698110898.db2.gz IWCCTZBQKWSOQI-UHFFFAOYSA-N 1 1 195.306 1.947 10 30 ADEEMO C#CC[N@H+](CC)C[C@H](O)CCC 827990020 698110905 /nfs/dbraw/zinc/11/09/05/698110905.db2.gz AVOXWRPVKBEMGM-SNVBAGLBSA-N 1 1 169.268 1.103 10 30 ADEEMO C#CC[N@H+](CC)C[C@@H](O)CCC 827990019 698110981 /nfs/dbraw/zinc/11/09/81/698110981.db2.gz AVOXWRPVKBEMGM-JTQLQIEISA-N 1 1 169.268 1.103 10 30 ADEEMO C#CC[N@@H+](CC)CCC[C@H]1CCOC1 827975583 698110988 /nfs/dbraw/zinc/11/09/88/698110988.db2.gz JDCCETLOMAXWNB-LBPRGKRZSA-N 1 1 195.306 1.758 10 30 ADEEMO C#CC[N@H+](CC[C@@H](C)O)C1CCCC1 828037076 698111371 /nfs/dbraw/zinc/11/13/71/698111371.db2.gz UWHAOCSNTYTCKQ-LLVKDONJSA-N 1 1 195.306 1.635 10 30 ADEEMO C#CC[N@H+](CC[C@H](C)O)C1CCCC1 828037077 698111387 /nfs/dbraw/zinc/11/13/87/698111387.db2.gz UWHAOCSNTYTCKQ-NSHDSACASA-N 1 1 195.306 1.635 10 30 ADEEMO C#CC[C@@H]1CCC[N@H+](CC(C)(C)O)C1 829785596 698112251 /nfs/dbraw/zinc/11/22/51/698112251.db2.gz WSFHQPLLBQDXPT-LLVKDONJSA-N 1 1 195.306 1.493 10 30 ADEEMO C#CC[C@H]1CCC[N@H+](CCCCO)C1 829784185 698112306 /nfs/dbraw/zinc/11/23/06/698112306.db2.gz HBABLICEHSELBH-LBPRGKRZSA-N 1 1 195.306 1.494 10 30 ADEEMO C#CC[C@@H]1CCC[N@H+](CCCOC)C1 829779682 698112331 /nfs/dbraw/zinc/11/23/31/698112331.db2.gz ZRYCZHIESITGLP-GFCCVEGCSA-N 1 1 195.306 1.758 10 30 ADEEMO C#CC[C@H]1CCC[N@H+]([C@@H](C)COC)C1 829785112 698112342 /nfs/dbraw/zinc/11/23/42/698112342.db2.gz QVPZJYPWAJBVCM-RYUDHWBXSA-N 1 1 195.306 1.757 10 30 ADEEMO C#CCC[N@H+]1CCC[C@@H](CC#C)C1 829805221 698112365 /nfs/dbraw/zinc/11/23/65/698112365.db2.gz RKEVEHQDGGEPGB-GFCCVEGCSA-N 1 1 175.275 1.745 10 30 ADEEMO C#CC[C@@H]1CCC[N@H+]([C@H](C)COC)C1 829785114 698112394 /nfs/dbraw/zinc/11/23/94/698112394.db2.gz QVPZJYPWAJBVCM-VXGBXAGGSA-N 1 1 195.306 1.757 10 30 ADEEMO C#CC[C@@H]1CCC[N@H+]([C@@H](C)COC)C1 829785110 698112405 /nfs/dbraw/zinc/11/24/05/698112405.db2.gz QVPZJYPWAJBVCM-NWDGAFQWSA-N 1 1 195.306 1.757 10 30 ADEEMO C#CC[C@H]1CCC[N@H+](C[C@H](O)CC)C1 829784701 698112464 /nfs/dbraw/zinc/11/24/64/698112464.db2.gz LTCMEHHLLNHHOS-NWDGAFQWSA-N 1 1 195.306 1.493 10 30 ADEEMO C#CC[C@@H]1CCC[N@H+](CCF)C1 829805257 698112479 /nfs/dbraw/zinc/11/24/79/698112479.db2.gz RPRHKXCZPSMSDO-SNVBAGLBSA-N 1 1 169.243 1.691 10 30 ADEEMO C#CC[C@H]1CCC[N@H+](CC(C)(C)O)C1 829785608 698112553 /nfs/dbraw/zinc/11/25/53/698112553.db2.gz WSFHQPLLBQDXPT-NSHDSACASA-N 1 1 195.306 1.493 10 30 ADEEMO C#CC[C@H]1CCC[N@H+](CCF)C1 829805247 698112561 /nfs/dbraw/zinc/11/25/61/698112561.db2.gz RPRHKXCZPSMSDO-JTQLQIEISA-N 1 1 169.243 1.691 10 30 ADEEMO C#CC[C@@H]1CCC[N@H+](C[C@H](O)CC)C1 829784705 698112580 /nfs/dbraw/zinc/11/25/80/698112580.db2.gz LTCMEHHLLNHHOS-VXGBXAGGSA-N 1 1 195.306 1.493 10 30 ADEEMO C#CC[C@H]1CCC[N@H+]([C@H](C)COC)C1 829785108 698112587 /nfs/dbraw/zinc/11/25/87/698112587.db2.gz QVPZJYPWAJBVCM-NEPJUHHUSA-N 1 1 195.306 1.757 10 30 ADEEMO C#CC[C@@H]1CCC[N@H+](CC)C1 829778498 698112623 /nfs/dbraw/zinc/11/26/23/698112623.db2.gz CVYNIUJYYCHCCD-SNVBAGLBSA-N 1 1 151.253 1.742 10 30 ADEEMO C#CC[C@H]1CCC[N@H+](CCCOC)C1 829779683 698112648 /nfs/dbraw/zinc/11/26/48/698112648.db2.gz ZRYCZHIESITGLP-LBPRGKRZSA-N 1 1 195.306 1.758 10 30 ADEEMO C#CC[C@H]1CCC[N@H+](C[C@@H](O)CC)C1 829784703 698112665 /nfs/dbraw/zinc/11/26/65/698112665.db2.gz LTCMEHHLLNHHOS-RYUDHWBXSA-N 1 1 195.306 1.493 10 30 ADEEMO C#CC[C@@H]1CCC[N@H+](C[C@@H](O)CC)C1 829784700 698112671 /nfs/dbraw/zinc/11/26/71/698112671.db2.gz LTCMEHHLLNHHOS-NEPJUHHUSA-N 1 1 195.306 1.493 10 30 ADEEMO C#CC[C@@H]1CCC[N@H+](CCCCO)C1 829784184 698112706 /nfs/dbraw/zinc/11/27/06/698112706.db2.gz HBABLICEHSELBH-GFCCVEGCSA-N 1 1 195.306 1.494 10 30 ADEEMO C#CCC[N@H+]1CCC[C@H](CC#C)C1 829805222 698112725 /nfs/dbraw/zinc/11/27/25/698112725.db2.gz RKEVEHQDGGEPGB-LBPRGKRZSA-N 1 1 175.275 1.745 10 30 ADEEMO C#CC[C@H]1CCC[N@H+](CC)C1 829778497 698112730 /nfs/dbraw/zinc/11/27/30/698112730.db2.gz CVYNIUJYYCHCCD-JTQLQIEISA-N 1 1 151.253 1.742 10 30 ADEEMO C=CC[C@H](C)[N@@H+](C)CCNC(C)=O 878762754 698145307 /nfs/dbraw/zinc/14/53/07/698145307.db2.gz KBNYGUUGGSPXSE-VIFPVBQESA-N 1 1 184.283 1.019 10 30 ADEEMO CC[C@@H](C)NN=C1C[N@@H+]2CCC[C@H]1C2 863107302 698136735 /nfs/dbraw/zinc/13/67/35/698136735.db2.gz LCCZXXLCKOQIRX-ZJUUUORDSA-N 1 1 195.310 1.456 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CCN(C)C(C)(C)C1 878551115 698143948 /nfs/dbraw/zinc/14/39/48/698143948.db2.gz LOAYCXZGLDXTHX-LLVKDONJSA-N 1 1 196.338 1.977 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@@](F)(CO)C1 878567627 698143761 /nfs/dbraw/zinc/14/37/61/698143761.db2.gz APAKMFRUZNZTIA-UWVGGRQHSA-N 1 1 187.258 1.357 10 30 ADEEMO C=CC[C@@H](C)[N@@H+]1C[C@H]2COC[C@@H](C1)O2 878565472 698143775 /nfs/dbraw/zinc/14/37/75/698143775.db2.gz ODTHSFIYOCYRIE-MXWKQRLJSA-N 1 1 197.278 1.051 10 30 ADEEMO C=CC[C@H](C)[N@@H+]1C[C@H]2COC[C@@H](C1)O2 878565470 698143809 /nfs/dbraw/zinc/14/38/09/698143809.db2.gz ODTHSFIYOCYRIE-GARJFASQSA-N 1 1 197.278 1.051 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CCN(C)C(C)(C)C1 878551116 698143914 /nfs/dbraw/zinc/14/39/14/698143914.db2.gz LOAYCXZGLDXTHX-NSHDSACASA-N 1 1 196.338 1.977 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@](F)(CO)C1 878567628 698143971 /nfs/dbraw/zinc/14/39/71/698143971.db2.gz APAKMFRUZNZTIA-VHSXEESVSA-N 1 1 187.258 1.357 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CC[C@](F)(CO)C1 878567626 698144018 /nfs/dbraw/zinc/14/40/18/698144018.db2.gz APAKMFRUZNZTIA-NXEZZACHSA-N 1 1 187.258 1.357 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CC[C@@](F)(CO)C1 878567629 698144068 /nfs/dbraw/zinc/14/40/68/698144068.db2.gz APAKMFRUZNZTIA-ZJUUUORDSA-N 1 1 187.258 1.357 10 30 ADEEMO C=CC[C@H](C)[N@@H+](C)CC(C)(C)CO 878665123 698144293 /nfs/dbraw/zinc/14/42/93/698144293.db2.gz RTLWHLGRRATUHO-JTQLQIEISA-N 1 1 185.311 1.901 10 30 ADEEMO C=CC[C@@H](C)[N@@H+](C)CC(C)(C)CO 878665124 698144558 /nfs/dbraw/zinc/14/45/58/698144558.db2.gz RTLWHLGRRATUHO-SNVBAGLBSA-N 1 1 185.311 1.901 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@](O)(CC#N)C1 878760550 698145316 /nfs/dbraw/zinc/14/53/16/698145316.db2.gz AKUCYNRWAQTVND-WDEREUQCSA-N 1 1 194.278 1.301 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@@](O)(CC#N)C1 878760549 698145342 /nfs/dbraw/zinc/14/53/42/698145342.db2.gz AKUCYNRWAQTVND-QWRGUYRKSA-N 1 1 194.278 1.301 10 30 ADEEMO C#CC[C@H]1CCC[N@H+](CC(C)=O)C1 878761029 698145354 /nfs/dbraw/zinc/14/53/54/698145354.db2.gz MUGMMZNHIFAXNG-NSHDSACASA-N 1 1 179.263 1.311 10 30 ADEEMO C#CC[C@@H]1CCC[N@H+](CC(C)=O)C1 878761028 698145378 /nfs/dbraw/zinc/14/53/78/698145378.db2.gz MUGMMZNHIFAXNG-LLVKDONJSA-N 1 1 179.263 1.311 10 30 ADEEMO C=CC[C@@H](C)[N@@H+](C)CCNC(C)=O 878762753 698145395 /nfs/dbraw/zinc/14/53/95/698145395.db2.gz KBNYGUUGGSPXSE-SECBINFHSA-N 1 1 184.283 1.019 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CC[C@](O)(CC#N)C1 878760547 698145403 /nfs/dbraw/zinc/14/54/03/698145403.db2.gz AKUCYNRWAQTVND-GHMZBOCLSA-N 1 1 194.278 1.301 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CC[C@@](O)(CC#N)C1 878760548 698145411 /nfs/dbraw/zinc/14/54/11/698145411.db2.gz AKUCYNRWAQTVND-MNOVXSKESA-N 1 1 194.278 1.301 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CCC2(COC2)C1 878992473 698145619 /nfs/dbraw/zinc/14/56/19/698145619.db2.gz ZHSSUAGAUMNSJW-SNVBAGLBSA-N 1 1 181.279 1.673 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CCC2(COC2)C1 878992472 698145684 /nfs/dbraw/zinc/14/56/84/698145684.db2.gz ZHSSUAGAUMNSJW-JTQLQIEISA-N 1 1 181.279 1.673 10 30 ADEEMO C#CC[C@@H]1CC[N@H+](CCC[C@@H](C)O)C1 886364261 698148656 /nfs/dbraw/zinc/14/86/56/698148656.db2.gz USBLGGRSMMJGMX-VXGBXAGGSA-N 1 1 195.306 1.493 10 30 ADEEMO C#CC[C@H]1CC[N@H+](C[C@@](C)(O)CC)C1 886364137 698148663 /nfs/dbraw/zinc/14/86/63/698148663.db2.gz PPHIWXRUBFQDMV-RYUDHWBXSA-N 1 1 195.306 1.493 10 30 ADEEMO C#CC[C@@H]1CC[N@@H+](Cc2cnc[nH]2)C1 886363865 698148672 /nfs/dbraw/zinc/14/86/72/698148672.db2.gz GJWKDMKBKFKTLC-SNVBAGLBSA-N 1 1 189.262 1.255 10 30 ADEEMO C#CC[C@@H]1CC[N@H+](Cc2c[nH]cn2)C1 886363865 698148678 /nfs/dbraw/zinc/14/86/78/698148678.db2.gz GJWKDMKBKFKTLC-SNVBAGLBSA-N 1 1 189.262 1.255 10 30 ADEEMO C#CC[C@@H]1CC[N@@H+](Cc2c[nH]cn2)C1 886363865 698148682 /nfs/dbraw/zinc/14/86/82/698148682.db2.gz GJWKDMKBKFKTLC-SNVBAGLBSA-N 1 1 189.262 1.255 10 30 ADEEMO C#CC[C@H]1CC[N@@H+](Cc2cnc[nH]2)C1 886363864 698148697 /nfs/dbraw/zinc/14/86/97/698148697.db2.gz GJWKDMKBKFKTLC-JTQLQIEISA-N 1 1 189.262 1.255 10 30 ADEEMO C#CC[C@H]1CC[N@H+](Cc2c[nH]cn2)C1 886363864 698148702 /nfs/dbraw/zinc/14/87/02/698148702.db2.gz GJWKDMKBKFKTLC-JTQLQIEISA-N 1 1 189.262 1.255 10 30 ADEEMO C#CC[C@H]1CC[N@@H+](Cc2c[nH]cn2)C1 886363864 698148707 /nfs/dbraw/zinc/14/87/07/698148707.db2.gz GJWKDMKBKFKTLC-JTQLQIEISA-N 1 1 189.262 1.255 10 30 ADEEMO C#CC[C@H]1CC[N@H+](C[C@](C)(O)CC)C1 886364136 698148737 /nfs/dbraw/zinc/14/87/37/698148737.db2.gz PPHIWXRUBFQDMV-NWDGAFQWSA-N 1 1 195.306 1.493 10 30 ADEEMO C#CC[C@H]1CC[N@H+](CCC[C@H](C)O)C1 886364260 698148765 /nfs/dbraw/zinc/14/87/65/698148765.db2.gz USBLGGRSMMJGMX-RYUDHWBXSA-N 1 1 195.306 1.493 10 30 ADEEMO C#CC[C@@H]1CC[N@H+]([C@@H]2CCOC2)C1 886363731 698148821 /nfs/dbraw/zinc/14/88/21/698148821.db2.gz AHSKVRZOWKJXFR-GHMZBOCLSA-N 1 1 179.263 1.121 10 30 ADEEMO C#CC[C@@H]1CC[N@H+](CCC[C@H](C)O)C1 886364259 698148837 /nfs/dbraw/zinc/14/88/37/698148837.db2.gz USBLGGRSMMJGMX-NWDGAFQWSA-N 1 1 195.306 1.493 10 30 ADEEMO C#CCCC[N@H+]1CC[C@H](CC#C)C1 886362845 698148851 /nfs/dbraw/zinc/14/88/51/698148851.db2.gz PURRDLSYSAIOCD-LBPRGKRZSA-N 1 1 175.275 1.745 10 30 ADEEMO C#CC[C@@H]1CC[N@H+](C[C@@](C)(O)CC)C1 886364135 698148857 /nfs/dbraw/zinc/14/88/57/698148857.db2.gz PPHIWXRUBFQDMV-NEPJUHHUSA-N 1 1 195.306 1.493 10 30 ADEEMO C#CC[C@@H]1CC[N@H+](C[C@](C)(O)CC)C1 886364138 698148864 /nfs/dbraw/zinc/14/88/64/698148864.db2.gz PPHIWXRUBFQDMV-VXGBXAGGSA-N 1 1 195.306 1.493 10 30 ADEEMO C#CC[C@H]1CC[N@H+](C[C@@H](O)CCC)C1 886366146 698149058 /nfs/dbraw/zinc/14/90/58/698149058.db2.gz YBCMVDITTDUYAK-RYUDHWBXSA-N 1 1 195.306 1.493 10 30 ADEEMO C#CC[C@H]1CC[N@H+](C[C@H](O)CCC)C1 886366145 698149075 /nfs/dbraw/zinc/14/90/75/698149075.db2.gz YBCMVDITTDUYAK-NWDGAFQWSA-N 1 1 195.306 1.493 10 30 ADEEMO C#CC[N@@H+](CC)Cc1ccc(OC)o1 891805936 698153751 /nfs/dbraw/zinc/15/37/51/698153751.db2.gz SBTLTKWDKZBCIC-UHFFFAOYSA-N 1 1 193.246 1.743 10 30 ADEEMO C#CC[N@H+](CC)Cc1ccc(OC)o1 891805936 698153755 /nfs/dbraw/zinc/15/37/55/698153755.db2.gz SBTLTKWDKZBCIC-UHFFFAOYSA-N 1 1 193.246 1.743 10 30 ADEEMO CON=Cc1[nH+]c(C)n2ccccc12 914599241 698169305 /nfs/dbraw/zinc/16/93/05/698169305.db2.gz CLWPHADSZPXNKK-UHFFFAOYSA-N 1 1 189.218 1.623 10 30 ADEEMO C=CCCC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C 928450181 698177453 /nfs/dbraw/zinc/17/74/53/698177453.db2.gz SPZBBRKZBSIZFZ-NXEZZACHSA-N 1 1 196.294 1.161 10 30 ADEEMO C=CCCC(=O)N[C@H]1CC[N@@H+](C)[C@H]1C 928450183 698177550 /nfs/dbraw/zinc/17/75/50/698177550.db2.gz SPZBBRKZBSIZFZ-UWVGGRQHSA-N 1 1 196.294 1.161 10 30 ADEEMO C=CCCC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C 928450185 698177655 /nfs/dbraw/zinc/17/76/55/698177655.db2.gz SPZBBRKZBSIZFZ-VHSXEESVSA-N 1 1 196.294 1.161 10 30 ADEEMO C=CCCC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C 928450186 698177671 /nfs/dbraw/zinc/17/76/71/698177671.db2.gz SPZBBRKZBSIZFZ-ZJUUUORDSA-N 1 1 196.294 1.161 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1C[C@@](C)(O)CC 934463319 698186703 /nfs/dbraw/zinc/18/67/03/698186703.db2.gz YDLXIAFEGKNNIK-MNOVXSKESA-N 1 1 183.295 1.798 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1Cc1cncn1C 934467346 698187628 /nfs/dbraw/zinc/18/76/28/698187628.db2.gz XKTLLQHIFODOIY-JTQLQIEISA-N 1 1 191.278 1.571 10 30 ADEEMO C#C[C@H]1CCCC[N@H+]1CC(C)=O 934514848 698188253 /nfs/dbraw/zinc/18/82/53/698188253.db2.gz CNHJVEIXUBPLLG-JTQLQIEISA-N 1 1 165.236 1.063 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@H](N(C)C)[C@@H]1C 931038877 698181361 /nfs/dbraw/zinc/18/13/61/698181361.db2.gz OHOBGWYDMIRNLZ-SRVKXCTJSA-N 1 1 196.338 1.975 10 30 ADEEMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C)[C@H]1C 931041052 698181385 /nfs/dbraw/zinc/18/13/85/698181385.db2.gz GFOUVBRRVSGUSQ-NEPJUHHUSA-N 1 1 196.338 1.977 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@@H](N(C)C)[C@H]1C 931038869 698181551 /nfs/dbraw/zinc/18/15/51/698181551.db2.gz OHOBGWYDMIRNLZ-QJPTWQEYSA-N 1 1 196.338 1.975 10 30 ADEEMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C)[C@H]1C 931041055 698181578 /nfs/dbraw/zinc/18/15/78/698181578.db2.gz GFOUVBRRVSGUSQ-VXGBXAGGSA-N 1 1 196.338 1.977 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@@H](N(C)C)[C@@H]1C 931038876 698181625 /nfs/dbraw/zinc/18/16/25/698181625.db2.gz OHOBGWYDMIRNLZ-SDDRHHMPSA-N 1 1 196.338 1.975 10 30 ADEEMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C)[C@@H]1C 931041053 698181629 /nfs/dbraw/zinc/18/16/29/698181629.db2.gz GFOUVBRRVSGUSQ-NWDGAFQWSA-N 1 1 196.338 1.977 10 30 ADEEMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C)[C@@H]1C 931041054 698181640 /nfs/dbraw/zinc/18/16/40/698181640.db2.gz GFOUVBRRVSGUSQ-RYUDHWBXSA-N 1 1 196.338 1.977 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@H](N(C)C)[C@H]1C 931038878 698181654 /nfs/dbraw/zinc/18/16/54/698181654.db2.gz OHOBGWYDMIRNLZ-TUAOUCFPSA-N 1 1 196.338 1.975 10 30 ADEEMO C#CC[N@@H+]1CCC[C@@H]1COC(C)(C)C 932164815 698182615 /nfs/dbraw/zinc/18/26/15/698182615.db2.gz UDHAEQUMJJJUEW-LLVKDONJSA-N 1 1 195.306 1.899 10 30 ADEEMO C=CC[N@@H+]1CCC[C@H]1c1ccnn1C 932267757 698182643 /nfs/dbraw/zinc/18/26/43/698182643.db2.gz FSQGAIYLUDCRCN-NSHDSACASA-N 1 1 191.278 1.743 10 30 ADEEMO C=CC[N@@H+]1CCC[C@@H]1c1ccnn1C 932267756 698182662 /nfs/dbraw/zinc/18/26/62/698182662.db2.gz FSQGAIYLUDCRCN-LLVKDONJSA-N 1 1 191.278 1.743 10 30 ADEEMO CC#CC[N@H+]1CCCSC[C@H]1C 934303692 698185432 /nfs/dbraw/zinc/18/54/32/698185432.db2.gz KFUUPANTEQKLAE-SNVBAGLBSA-N 1 1 183.320 1.837 10 30 ADEEMO C#CC[N@@H+]1CCC[C@H]1COC(C)(C)C 932173133 698182895 /nfs/dbraw/zinc/18/28/95/698182895.db2.gz UDHAEQUMJJJUEW-NSHDSACASA-N 1 1 195.306 1.899 10 30 ADEEMO C=CCC[N@H+]1CCO[C@@H](C)CC1 932334927 698183087 /nfs/dbraw/zinc/18/30/87/698183087.db2.gz HSVKOPHUXFCYCJ-JTQLQIEISA-N 1 1 169.268 1.673 10 30 ADEEMO C=CCC[N@H+]1CCO[C@H](C)CC1 932334928 698183572 /nfs/dbraw/zinc/18/35/72/698183572.db2.gz HSVKOPHUXFCYCJ-SNVBAGLBSA-N 1 1 169.268 1.673 10 30 ADEEMO CC#CC[N@H+]1CCCSC[C@@H]1C 934303691 698185428 /nfs/dbraw/zinc/18/54/28/698185428.db2.gz KFUUPANTEQKLAE-JTQLQIEISA-N 1 1 183.320 1.837 10 30 ADEEMO C=CC[C@H]1CC[N@H+]1CCC1OCCO1 934463692 698186596 /nfs/dbraw/zinc/18/65/96/698186596.db2.gz ZQVYTHXHFQPUNH-JTQLQIEISA-N 1 1 197.278 1.400 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1C[C@H](O)CCC 934460815 698186631 /nfs/dbraw/zinc/18/66/31/698186631.db2.gz RWHKSCVBOPVIJY-GHMZBOCLSA-N 1 1 183.295 1.798 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1[C@@H](CC)CO 934463192 698186642 /nfs/dbraw/zinc/18/66/42/698186642.db2.gz USFGZDCJJLVKPM-UWVGGRQHSA-N 1 1 169.268 1.408 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1C[C@@H](O)CCC 934460816 698186654 /nfs/dbraw/zinc/18/66/54/698186654.db2.gz RWHKSCVBOPVIJY-MNOVXSKESA-N 1 1 183.295 1.798 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1C[C@@H](O)CCC 934460818 698186792 /nfs/dbraw/zinc/18/67/92/698186792.db2.gz RWHKSCVBOPVIJY-QWRGUYRKSA-N 1 1 183.295 1.798 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1C(COC)COC 934463223 698186857 /nfs/dbraw/zinc/18/68/57/698186857.db2.gz VHMSTEYCOFCPOF-SNVBAGLBSA-N 1 1 199.294 1.298 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1C[C@](C)(O)CC 934463321 698186723 /nfs/dbraw/zinc/18/67/23/698186723.db2.gz YDLXIAFEGKNNIK-WDEREUQCSA-N 1 1 183.295 1.798 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1CCO[C@@H](C)C#N 934463371 698186971 /nfs/dbraw/zinc/18/69/71/698186971.db2.gz HSMMXPNAGOJSHG-QWRGUYRKSA-N 1 1 194.278 1.565 10 30 ADEEMO C#CCC[N@@H+]1CC[C@H]1CC=C 934463820 698186990 /nfs/dbraw/zinc/18/69/90/698186990.db2.gz KAEJQGLURBLUOZ-SNVBAGLBSA-N 1 1 149.237 1.660 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1C[C@](C)(O)CC 934463318 698186995 /nfs/dbraw/zinc/18/69/95/698186995.db2.gz YDLXIAFEGKNNIK-GHMZBOCLSA-N 1 1 183.295 1.798 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1CCO[C@H](C)C#N 934463370 698187007 /nfs/dbraw/zinc/18/70/07/698187007.db2.gz HSMMXPNAGOJSHG-MNOVXSKESA-N 1 1 194.278 1.565 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1[C@H](CC)CO 934463194 698187011 /nfs/dbraw/zinc/18/70/11/698187011.db2.gz USFGZDCJJLVKPM-ZJUUUORDSA-N 1 1 169.268 1.408 10 30 ADEEMO C#CCC[N@@H+]1CC[C@@H]1CC=C 934463819 698187025 /nfs/dbraw/zinc/18/70/25/698187025.db2.gz KAEJQGLURBLUOZ-JTQLQIEISA-N 1 1 149.237 1.660 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1Cc1cn(C)cn1 934463282 698186878 /nfs/dbraw/zinc/18/68/78/698186878.db2.gz XRZMWUQKRWIPLQ-NSHDSACASA-N 1 1 191.278 1.571 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1C(COC)COC 934463222 698186889 /nfs/dbraw/zinc/18/68/89/698186889.db2.gz VHMSTEYCOFCPOF-JTQLQIEISA-N 1 1 199.294 1.298 10 30 ADEEMO C=CC[C@@H]1CC[N@H+]1Cc1ccn(C)n1 934460605 698187034 /nfs/dbraw/zinc/18/70/34/698187034.db2.gz HQAZJHHESZWVFR-LLVKDONJSA-N 1 1 191.278 1.571 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1Cc1ccn(C)n1 934460605 698187036 /nfs/dbraw/zinc/18/70/36/698187036.db2.gz HQAZJHHESZWVFR-LLVKDONJSA-N 1 1 191.278 1.571 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1CCO[C@@H](C)C#N 934463372 698187047 /nfs/dbraw/zinc/18/70/47/698187047.db2.gz HSMMXPNAGOJSHG-WDEREUQCSA-N 1 1 194.278 1.565 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1C[C@H](O)CCC 934460820 698187052 /nfs/dbraw/zinc/18/70/52/698187052.db2.gz RWHKSCVBOPVIJY-WDEREUQCSA-N 1 1 183.295 1.798 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1CCO[C@H](C)C#N 934463369 698187054 /nfs/dbraw/zinc/18/70/54/698187054.db2.gz HSMMXPNAGOJSHG-GHMZBOCLSA-N 1 1 194.278 1.565 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1[C@H](CC)CO 934463191 698187069 /nfs/dbraw/zinc/18/70/69/698187069.db2.gz USFGZDCJJLVKPM-NXEZZACHSA-N 1 1 169.268 1.408 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1C[C@@](C)(O)CC 934463320 698187073 /nfs/dbraw/zinc/18/70/73/698187073.db2.gz YDLXIAFEGKNNIK-QWRGUYRKSA-N 1 1 183.295 1.798 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1CCCOC 934460960 698187075 /nfs/dbraw/zinc/18/70/75/698187075.db2.gz LKSREEPBIMQCBX-JTQLQIEISA-N 1 1 169.268 1.673 10 30 ADEEMO C=CC[C@@H]1CC[N@H+]1CCC1OCCO1 934463694 698187077 /nfs/dbraw/zinc/18/70/77/698187077.db2.gz ZQVYTHXHFQPUNH-SNVBAGLBSA-N 1 1 197.278 1.400 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1CC(=O)NCCC 934461068 698187088 /nfs/dbraw/zinc/18/70/88/698187088.db2.gz VRDDFILUOVPQSW-JTQLQIEISA-N 1 1 196.294 1.163 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1[C@@H](CC)CO 934463193 698187101 /nfs/dbraw/zinc/18/71/01/698187101.db2.gz USFGZDCJJLVKPM-VHSXEESVSA-N 1 1 169.268 1.408 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1Cc1cn(C)cn1 934463281 698187113 /nfs/dbraw/zinc/18/71/13/698187113.db2.gz XRZMWUQKRWIPLQ-LLVKDONJSA-N 1 1 191.278 1.571 10 30 ADEEMO C=CC[C@H]1CC[N@H+]1Cc1ccn(C)n1 934460606 698187122 /nfs/dbraw/zinc/18/71/22/698187122.db2.gz HQAZJHHESZWVFR-NSHDSACASA-N 1 1 191.278 1.571 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1Cc1ccn(C)n1 934460606 698187123 /nfs/dbraw/zinc/18/71/23/698187123.db2.gz HQAZJHHESZWVFR-NSHDSACASA-N 1 1 191.278 1.571 10 30 ADEEMO C#C[C@@H]1CCCC[N@@H+]1Cc1ccno1 934510020 698187441 /nfs/dbraw/zinc/18/74/41/698187441.db2.gz SUBNOCXHCHVNFE-SNVBAGLBSA-N 1 1 190.246 1.662 10 30 ADEEMO C#C[C@@H]1CCCC[N@H+]1Cc1ccno1 934510020 698187444 /nfs/dbraw/zinc/18/74/44/698187444.db2.gz SUBNOCXHCHVNFE-SNVBAGLBSA-N 1 1 190.246 1.662 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1CCOCC 934466058 698187450 /nfs/dbraw/zinc/18/74/50/698187450.db2.gz XZCGFAFRLGHSBY-SNVBAGLBSA-N 1 1 169.268 1.673 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1Cc1ncc[nH]1 934464929 698187557 /nfs/dbraw/zinc/18/75/57/698187557.db2.gz IMMFHCYJRPYDIJ-SECBINFHSA-N 1 1 177.251 1.560 10 30 ADEEMO C=CC[C@@H]1CC[N@H+]1Cc1ncc[nH]1 934464929 698187558 /nfs/dbraw/zinc/18/75/58/698187558.db2.gz IMMFHCYJRPYDIJ-SECBINFHSA-N 1 1 177.251 1.560 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1CCOCC 934466056 698187562 /nfs/dbraw/zinc/18/75/62/698187562.db2.gz XZCGFAFRLGHSBY-JTQLQIEISA-N 1 1 169.268 1.673 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1Cc1cnn(C)c1 934467073 698187568 /nfs/dbraw/zinc/18/75/68/698187568.db2.gz WOLOMPJTLFPOJS-LLVKDONJSA-N 1 1 191.278 1.571 10 30 ADEEMO C#C[C@@H]1CCCC[N@@H+]1CCC(=O)OC 934510538 698187577 /nfs/dbraw/zinc/18/75/77/698187577.db2.gz XXPHJKQXGSZFGF-SNVBAGLBSA-N 1 1 195.262 1.037 10 30 ADEEMO C#C[C@H]1CCCC[N@@H+]1Cc1ccno1 934510019 698187581 /nfs/dbraw/zinc/18/75/81/698187581.db2.gz SUBNOCXHCHVNFE-JTQLQIEISA-N 1 1 190.246 1.662 10 30 ADEEMO C#C[C@H]1CCCC[N@H+]1Cc1ccno1 934510019 698187582 /nfs/dbraw/zinc/18/75/82/698187582.db2.gz SUBNOCXHCHVNFE-JTQLQIEISA-N 1 1 190.246 1.662 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1Cc1ncc[nH]1 934464930 698187584 /nfs/dbraw/zinc/18/75/84/698187584.db2.gz IMMFHCYJRPYDIJ-VIFPVBQESA-N 1 1 177.251 1.560 10 30 ADEEMO C=CC[C@H]1CC[N@H+]1Cc1ncc[nH]1 934464930 698187585 /nfs/dbraw/zinc/18/75/85/698187585.db2.gz IMMFHCYJRPYDIJ-VIFPVBQESA-N 1 1 177.251 1.560 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1Cc1cnn(C)c1 934467075 698187413 /nfs/dbraw/zinc/18/74/13/698187413.db2.gz WOLOMPJTLFPOJS-NSHDSACASA-N 1 1 191.278 1.571 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1Cc1cncn1C 934467348 698187641 /nfs/dbraw/zinc/18/76/41/698187641.db2.gz XKTLLQHIFODOIY-SNVBAGLBSA-N 1 1 191.278 1.571 10 30 ADEEMO C=CC[C@@H]1CC[N@H+]1C[C@H]1CCC(=O)O1 934466300 698187647 /nfs/dbraw/zinc/18/76/47/698187647.db2.gz ZKLXRNVUIYADOQ-NXEZZACHSA-N 1 1 195.262 1.342 10 30 ADEEMO C=CC[C@@H]1CC[N@H+]1C[C@@H]1CCC(=O)O1 934466311 698187650 /nfs/dbraw/zinc/18/76/50/698187650.db2.gz ZKLXRNVUIYADOQ-ZJUUUORDSA-N 1 1 195.262 1.342 10 30 ADEEMO C=CC[C@H]1CC[N@H+]1C[C@H]1CCC(=O)O1 934466308 698187653 /nfs/dbraw/zinc/18/76/53/698187653.db2.gz ZKLXRNVUIYADOQ-VHSXEESVSA-N 1 1 195.262 1.342 10 30 ADEEMO C=CCC[C@H](O)C[N@H+]1CC[C@H]1CC=C 934466244 698187697 /nfs/dbraw/zinc/18/76/97/698187697.db2.gz RCKOUVGVPZRLAR-NEPJUHHUSA-N 1 1 195.306 1.964 10 30 ADEEMO C=CC[C@H]1CC[N@H+]1C[C@@H]1CCC(=O)O1 934466305 698187758 /nfs/dbraw/zinc/18/77/58/698187758.db2.gz ZKLXRNVUIYADOQ-UWVGGRQHSA-N 1 1 195.262 1.342 10 30 ADEEMO C#C[C@H]1CCCC[N@@H+]1CCC(=O)OC 934510537 698187762 /nfs/dbraw/zinc/18/77/62/698187762.db2.gz XXPHJKQXGSZFGF-JTQLQIEISA-N 1 1 195.262 1.037 10 30 ADEEMO C#C[C@H]1CCCC[N@@H+]1C[C@@H](C)CO 934515109 698187952 /nfs/dbraw/zinc/18/79/52/698187952.db2.gz POQQFPMKEPJGLR-MNOVXSKESA-N 1 1 181.279 1.103 10 30 ADEEMO C#C[C@H]1CCCC[N@@H+]1C[C@H](O)CC 934512170 698187968 /nfs/dbraw/zinc/18/79/68/698187968.db2.gz ZWIXYJBOXNRVPG-WDEREUQCSA-N 1 1 181.279 1.245 10 30 ADEEMO C#C[C@@H]1CCCC[N@@H+]1C[C@@H](O)CC 934512167 698187976 /nfs/dbraw/zinc/18/79/76/698187976.db2.gz ZWIXYJBOXNRVPG-MNOVXSKESA-N 1 1 181.279 1.245 10 30 ADEEMO C#C[C@@H]1CCCC[N@H+]1CC(C)=O 934514849 698188034 /nfs/dbraw/zinc/18/80/34/698188034.db2.gz CNHJVEIXUBPLLG-SNVBAGLBSA-N 1 1 165.236 1.063 10 30 ADEEMO C#C[C@@H]1CCCC[N@@H+]1CC(C)=O 934514849 698188036 /nfs/dbraw/zinc/18/80/36/698188036.db2.gz CNHJVEIXUBPLLG-SNVBAGLBSA-N 1 1 165.236 1.063 10 30 ADEEMO C#C[C@@H]1CCCC[N@@H+]1CCC[C@H](C)O 934516567 698188047 /nfs/dbraw/zinc/18/80/47/698188047.db2.gz LRQAXLQUQXINRT-NWDGAFQWSA-N 1 1 195.306 1.635 10 30 ADEEMO C#C[C@@H]1CCCC[N@@H+]1C[C@@H](C)CO 934515108 698188079 /nfs/dbraw/zinc/18/80/79/698188079.db2.gz POQQFPMKEPJGLR-GHMZBOCLSA-N 1 1 181.279 1.103 10 30 ADEEMO C#C[C@@H]1CCCC[N@@H+]1CCF 934514327 698188118 /nfs/dbraw/zinc/18/81/18/698188118.db2.gz HTKKHMPNQVVEGZ-SECBINFHSA-N 1 1 155.216 1.444 10 30 ADEEMO C#C[C@@H]1CCCC[N@@H+]1CCCOCC 934512972 698188134 /nfs/dbraw/zinc/18/81/34/698188134.db2.gz ZYTRSPYKACSZJC-GFCCVEGCSA-N 1 1 195.306 1.901 10 30 ADEEMO C#C[C@H]1CCCC[N@@H+]1CCOCC=C 934516607 698188159 /nfs/dbraw/zinc/18/81/59/698188159.db2.gz MOIRAJHPPKQYDX-LBPRGKRZSA-N 1 1 193.290 1.677 10 30 ADEEMO C#CCOCC[N@H+]1CCCC[C@H]1C#C 934515043 698188206 /nfs/dbraw/zinc/18/82/06/698188206.db2.gz FZIFYUPJVGEQTJ-GFCCVEGCSA-N 1 1 191.274 1.124 10 30 ADEEMO C#C[C@H]1CCCC[N@@H+]1CCC[C@H](C)O 934516568 698188214 /nfs/dbraw/zinc/18/82/14/698188214.db2.gz LRQAXLQUQXINRT-RYUDHWBXSA-N 1 1 195.306 1.635 10 30 ADEEMO C#C[C@H]1CCCC[N@@H+]1C[C@@H](O)CC 934512169 698188218 /nfs/dbraw/zinc/18/82/18/698188218.db2.gz ZWIXYJBOXNRVPG-QWRGUYRKSA-N 1 1 181.279 1.245 10 30 ADEEMO C#C[C@H]1CCCC[N@@H+]1CCC[C@@H](C)O 934516566 698188224 /nfs/dbraw/zinc/18/82/24/698188224.db2.gz LRQAXLQUQXINRT-NEPJUHHUSA-N 1 1 195.306 1.635 10 30 ADEEMO C#C[C@H]1CCCC[N@@H+]1C[C@H](C)CO 934515110 698188236 /nfs/dbraw/zinc/18/82/36/698188236.db2.gz POQQFPMKEPJGLR-QWRGUYRKSA-N 1 1 181.279 1.103 10 30 ADEEMO C#C[C@H]1CCCC[N@@H+]1CC[C@H](C)O 934516591 698188244 /nfs/dbraw/zinc/18/82/44/698188244.db2.gz MDVASZZBKQIBJE-QWRGUYRKSA-N 1 1 181.279 1.245 10 30 ADEEMO C#CCOCC[N@H+]1CCCC[C@@H]1C#C 934515044 698188247 /nfs/dbraw/zinc/18/82/47/698188247.db2.gz FZIFYUPJVGEQTJ-LBPRGKRZSA-N 1 1 191.274 1.124 10 30 ADEEMO C#C[C@H]1CCCC[N@@H+]1CC(C)=O 934514848 698188256 /nfs/dbraw/zinc/18/82/56/698188256.db2.gz CNHJVEIXUBPLLG-JTQLQIEISA-N 1 1 165.236 1.063 10 30 ADEEMO C#C[C@@H]1CCCC[N@@H+]1CCOCC=C 934516606 698188272 /nfs/dbraw/zinc/18/82/72/698188272.db2.gz MOIRAJHPPKQYDX-GFCCVEGCSA-N 1 1 193.290 1.677 10 30 ADEEMO C#C[C@H]1CCCC[N@@H+]1C[C@H](C)OC 934514345 698188275 /nfs/dbraw/zinc/18/82/75/698188275.db2.gz IKCDYWNQISAAGF-QWRGUYRKSA-N 1 1 181.279 1.509 10 30 ADEEMO C#C[C@@H]1CCCC[N@@H+]1CC[C@@H](C)O 934516589 698188277 /nfs/dbraw/zinc/18/82/77/698188277.db2.gz MDVASZZBKQIBJE-GHMZBOCLSA-N 1 1 181.279 1.245 10 30 ADEEMO C#C[C@H]1CCCC[N@@H+]1CCC 934511091 698188279 /nfs/dbraw/zinc/18/82/79/698188279.db2.gz JLWZNUDRCGOUGE-JTQLQIEISA-N 1 1 151.253 1.884 10 30 ADEEMO C#C[C@@H]1CCCC[N@@H+]1CCOC(C)C 934510973 698188282 /nfs/dbraw/zinc/18/82/82/698188282.db2.gz NRGLHOPJUCIAGW-GFCCVEGCSA-N 1 1 195.306 1.899 10 30 ADEEMO C#C[C@@H]1CCCC[N@@H+]1CCCOC 934512131 698188286 /nfs/dbraw/zinc/18/82/86/698188286.db2.gz ZOKHXHVVMDIIER-LLVKDONJSA-N 1 1 181.279 1.511 10 30 ADEEMO C#C[C@H]1CCCC[N@@H+]1CC[C@@H](C)O 934516590 698188288 /nfs/dbraw/zinc/18/82/88/698188288.db2.gz MDVASZZBKQIBJE-MNOVXSKESA-N 1 1 181.279 1.245 10 30 ADEEMO C#C[C@H]1CCCC[N@@H+]1C[C@@H](C)OC 934514344 698188296 /nfs/dbraw/zinc/18/82/96/698188296.db2.gz IKCDYWNQISAAGF-MNOVXSKESA-N 1 1 181.279 1.509 10 30 ADEEMO C#C[C@@H]1CCCC[N@@H+]1C[C@@H](C)OC 934514343 698188298 /nfs/dbraw/zinc/18/82/98/698188298.db2.gz IKCDYWNQISAAGF-GHMZBOCLSA-N 1 1 181.279 1.509 10 30 ADEEMO C#C[C@@H]1CCCC[N@@H+]1CCC 934511092 698188300 /nfs/dbraw/zinc/18/83/00/698188300.db2.gz JLWZNUDRCGOUGE-SNVBAGLBSA-N 1 1 151.253 1.884 10 30 ADEEMO C#C[C@@H]1CCCC[N@@H+]1CC[C@H](C)O 934516592 698188309 /nfs/dbraw/zinc/18/83/09/698188309.db2.gz MDVASZZBKQIBJE-WDEREUQCSA-N 1 1 181.279 1.245 10 30 ADEEMO C#C[C@H]1CCCC[N@@H+]1C[C@@H](O)C1CC1 934514809 698188311 /nfs/dbraw/zinc/18/83/11/698188311.db2.gz CALNUXXZQSGGMQ-NWDGAFQWSA-N 1 1 193.290 1.245 10 30 ADEEMO C#C[C@H]1CCCC[N@@H+]1C[C@H](O)C1CC1 934514811 698188313 /nfs/dbraw/zinc/18/83/13/698188313.db2.gz CALNUXXZQSGGMQ-RYUDHWBXSA-N 1 1 193.290 1.245 10 30 ADEEMO C#C[C@@H]1CCCC[N@@H+]1CCC#CC 934515097 698188315 /nfs/dbraw/zinc/18/83/15/698188315.db2.gz PLEJDRDRSAQVDU-GFCCVEGCSA-N 1 1 175.275 1.888 10 30 ADEEMO C#C[C@@H]1CCCC[N@@H+]1C[C@H](O)C1CC1 934514807 698188330 /nfs/dbraw/zinc/18/83/30/698188330.db2.gz CALNUXXZQSGGMQ-NEPJUHHUSA-N 1 1 193.290 1.245 10 30 ADEEMO C#C[C@H]1CCCC[N@@H+]1CCOC(C)C 934510974 698188333 /nfs/dbraw/zinc/18/83/33/698188333.db2.gz NRGLHOPJUCIAGW-LBPRGKRZSA-N 1 1 195.306 1.899 10 30 ADEEMO C#C[C@@H]1CCCC[N@@H+]1C[C@H](C)OC 934514504 698188337 /nfs/dbraw/zinc/18/83/37/698188337.db2.gz IKCDYWNQISAAGF-WDEREUQCSA-N 1 1 181.279 1.509 10 30 ADEEMO C#C[C@H]1CCCC[N@@H+]1CCCOCC 934512973 698188340 /nfs/dbraw/zinc/18/83/40/698188340.db2.gz ZYTRSPYKACSZJC-LBPRGKRZSA-N 1 1 195.306 1.901 10 30 ADEEMO C#C[C@H]1CCCC[N@@H+]1CCF 934514328 698188353 /nfs/dbraw/zinc/18/83/53/698188353.db2.gz HTKKHMPNQVVEGZ-VIFPVBQESA-N 1 1 155.216 1.444 10 30 ADEEMO C#C[C@@H]1CCCC[N@@H+]1C[C@H](C)CO 934515111 698188358 /nfs/dbraw/zinc/18/83/58/698188358.db2.gz POQQFPMKEPJGLR-WDEREUQCSA-N 1 1 181.279 1.103 10 30 ADEEMO C#C[C@@H]1CCCC[N@@H+]1C[C@@H](O)C1CC1 934514812 698188361 /nfs/dbraw/zinc/18/83/61/698188361.db2.gz CALNUXXZQSGGMQ-VXGBXAGGSA-N 1 1 193.290 1.245 10 30 ADEEMO C#C[C@@H]1CCCC[N@@H+]1C[C@H](O)CC 934512165 698188364 /nfs/dbraw/zinc/18/83/64/698188364.db2.gz ZWIXYJBOXNRVPG-GHMZBOCLSA-N 1 1 181.279 1.245 10 30 ADEEMO C#C[C@H]1CCCC[N@@H+]1CCC#CC 934515098 698188391 /nfs/dbraw/zinc/18/83/91/698188391.db2.gz PLEJDRDRSAQVDU-LBPRGKRZSA-N 1 1 175.275 1.888 10 30 ADEEMO C#C[C@@H]1CCCC[N@@H+]1CCC[C@@H](C)O 934516569 698188406 /nfs/dbraw/zinc/18/84/06/698188406.db2.gz LRQAXLQUQXINRT-VXGBXAGGSA-N 1 1 195.306 1.635 10 30 ADEEMO C#C[C@H]1CCCC[N@@H+]1CCCOC 934512132 698188409 /nfs/dbraw/zinc/18/84/09/698188409.db2.gz ZOKHXHVVMDIIER-NSHDSACASA-N 1 1 181.279 1.511 10 30 ADEEMO C=CCOCCn1cc[nH+]c1C1CC1 530128898 325664218 /nfs/dbraw/zinc/66/42/18/325664218.db2.gz DASNBGDGOARALH-UHFFFAOYSA-N 1 1 192.262 1.963 10 30 ADEEMO C=CCC[N@H+]1CC[C@H](O)[C@H](C)C1 164634956 133421994 /nfs/dbraw/zinc/42/19/94/133421994.db2.gz CPGPFQHEDUSGIY-ZJUUUORDSA-N 1 1 169.268 1.265 10 30 ADEEMO C=CCC[N@H+]1[C@@H](C)C[C@H](O)C[C@H]1C 306507427 133428690 /nfs/dbraw/zinc/42/86/90/133428690.db2.gz YANKQKBCFKNPPF-JGPRNRPPSA-N 1 1 183.295 1.796 10 30 ADEEMO CC#CC[N@H+]1CCCC[C@]1(C)CO 306566576 133429097 /nfs/dbraw/zinc/42/90/97/133429097.db2.gz ZZZPTNWXSVNCEY-LLVKDONJSA-N 1 1 181.279 1.247 10 30 ADEEMO C=C(C)CC[N@H+]1CCC[C@H](O)CC1 306789231 133430262 /nfs/dbraw/zinc/43/02/62/133430262.db2.gz STAPVBNPUBVWRA-NSHDSACASA-N 1 1 183.295 1.799 10 30 ADEEMO C[C@@H]1[C@@H](O)CCC[N@H+]1CCCC#N 307254347 133431141 /nfs/dbraw/zinc/43/11/41/133431141.db2.gz XOHVDBLUCLYWFW-ZJUUUORDSA-N 1 1 182.267 1.135 10 30 ADEEMO C=CC[N@H+]1CCC[C@]2(CCOC2)C1 334873853 133435396 /nfs/dbraw/zinc/43/53/96/133435396.db2.gz JYAJUNKRHJPFIF-NSHDSACASA-N 1 1 181.279 1.675 10 30 ADEEMO CC#CC[N@H+]1CCC[C@H]2COCC[C@@H]21 336345826 133440062 /nfs/dbraw/zinc/44/00/62/133440062.db2.gz XITGRLXHOKBAAW-RYUDHWBXSA-N 1 1 193.290 1.511 10 30 ADEEMO C[C@@H]1[N@@H+](CCCC#N)CCOC1(C)C 336458483 133440394 /nfs/dbraw/zinc/44/03/94/133440394.db2.gz CZEPQSRIAKTYRN-JTQLQIEISA-N 1 1 196.294 1.789 10 30 ADEEMO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cc[nH]c1 85579864 136411032 /nfs/dbraw/zinc/41/10/32/136411032.db2.gz GZLSKUCWWXLYFR-WDEREUQCSA-N 1 1 189.262 1.797 10 30 ADEEMO C=CCC[N@@H+]1CC[C@H](O)C1(C)C 307226590 136422807 /nfs/dbraw/zinc/42/28/07/136422807.db2.gz VQWSARWTTPDGGB-VIFPVBQESA-N 1 1 169.268 1.408 10 30 ADEEMO C[C@H]1C[NH+](C(C)(C)C#N)C[C@@H]1C 307690053 136423708 /nfs/dbraw/zinc/42/37/08/136423708.db2.gz HKGSWKSVCLDRDW-IUCAKERBSA-N 1 1 166.268 1.876 10 30 ADEEMO C[N@H+]1C[C@H]2CC[C@@H]1C/C(=N/O)C2 4336173 342990396 /nfs/dbraw/zinc/99/03/96/342990396.db2.gz ZRUGRBNKTCCWAN-PKYPXXTJSA-N 1 1 168.240 1.321 10 30 ADEEMO CCCC[N@@H+](C)[C@@H](C)/C=N/O 5419322 343002396 /nfs/dbraw/zinc/00/23/96/343002396.db2.gz BHFDWIZVSCNDCB-INTFFVIUSA-N 1 1 158.245 1.567 10 30 ADEEMO C[C@H]1C[NH+](CCCC#N)C[C@H](C)O1 19438284 343055229 /nfs/dbraw/zinc/05/52/29/343055229.db2.gz FUTHDZJVNBCZCD-UWVGGRQHSA-N 1 1 182.267 1.399 10 30 ADEEMO C#C[N@H+](C)[C@@H](C)Cc1cccnc1 22066109 343078445 /nfs/dbraw/zinc/07/84/45/343078445.db2.gz KDNROKOBMXMJEY-JTQLQIEISA-N 1 1 174.247 1.535 10 30 ADEEMO C#C[N@H+](C)[C@H](C)Cc1cccnc1 22066112 343078496 /nfs/dbraw/zinc/07/84/96/343078496.db2.gz KDNROKOBMXMJEY-SNVBAGLBSA-N 1 1 174.247 1.535 10 30 ADEEMO C[C@H]1CCC[N@@H+](C[C@@H]2CO2)C1 22176034 343080285 /nfs/dbraw/zinc/08/02/85/343080285.db2.gz NKWOTMSEBBVNDJ-DTWKUNHWSA-N 1 1 155.241 1.117 10 30 ADEEMO C[N@@H+](CCC#N)C1CCOCC1 36321099 343144030 /nfs/dbraw/zinc/14/40/30/343144030.db2.gz GXGXGQYVNYRXOW-UHFFFAOYSA-N 1 1 168.240 1.011 10 30 ADEEMO C[C@H](C#N)C[N@@H+](C)C1CCOCC1 36321134 343144056 /nfs/dbraw/zinc/14/40/56/343144056.db2.gz BFSZVJGWLBODIM-SECBINFHSA-N 1 1 182.267 1.257 10 30 ADEEMO C[C@H]1C[C@@H](NCCC#N)[C@H](C)C[N@H+]1C 36908381 343154366 /nfs/dbraw/zinc/15/43/66/343154366.db2.gz HGGCRRFKINJCLQ-OUAUKWLOSA-N 1 1 195.310 1.218 10 30 ADEEMO C[C@H]1C[C@H](NCCC#N)[C@H](C)C[N@H+]1C 36908379 343154440 /nfs/dbraw/zinc/15/44/40/343154440.db2.gz HGGCRRFKINJCLQ-VWYCJHECSA-N 1 1 195.310 1.218 10 30 ADEEMO CC[C@H](C)[N@@H+](C)C[C@@H]1CO1 37110099 343159855 /nfs/dbraw/zinc/15/98/55/343159855.db2.gz QBOPNWDEAGGXPE-JGVFFNPUSA-N 1 1 143.230 1.116 10 30 ADEEMO CC[C@H](C)[C@](C)([NH3+])C#N 37745330 343177299 /nfs/dbraw/zinc/17/72/99/343177299.db2.gz HDMMVHVECMXXEZ-NKWVEPMBSA-N 1 1 126.203 1.273 10 30 ADEEMO C[C@H](CC#N)[NH2+]Cc1ccc(C#N)cc1 37749129 343177625 /nfs/dbraw/zinc/17/76/25/343177625.db2.gz MDRXVZPGPYJCLA-SNVBAGLBSA-N 1 1 199.257 1.950 10 30 ADEEMO C[N@@H+](CCO)[C@H]1CCCCC[C@@H]1C#N 37899293 343179953 /nfs/dbraw/zinc/17/99/53/343179953.db2.gz PMQOZPOTLDUBBL-MNOVXSKESA-N 1 1 196.294 1.383 10 30 ADEEMO C[C@H]1CC[N@H+](C[C@@H](C)C#N)C1 40718195 343221956 /nfs/dbraw/zinc/22/19/56/343221956.db2.gz STWDNCPECOVIFU-IUCAKERBSA-N 1 1 152.241 1.488 10 30 ADEEMO C[C@@H]1CC[N@@H+](CCC#N)C1 40718168 343221968 /nfs/dbraw/zinc/22/19/68/343221968.db2.gz LPKASMSNDLNKNT-MRVPVSSYSA-N 1 1 138.214 1.242 10 30 ADEEMO C=C(C)C[NH+]1CCN(CC)CC1 41363667 343233664 /nfs/dbraw/zinc/23/36/64/343233664.db2.gz ANWCBBPNPTVNRU-UHFFFAOYSA-N 1 1 168.284 1.200 10 30 ADEEMO C#CC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 42251425 343239158 /nfs/dbraw/zinc/23/91/58/343239158.db2.gz JICUZLVPGSSCSL-WDEREUQCSA-N 1 1 179.263 1.263 10 30 ADEEMO C#CC[N@H+]1CCO[C@@H]2CCCC[C@@H]21 42251425 343239159 /nfs/dbraw/zinc/23/91/59/343239159.db2.gz JICUZLVPGSSCSL-WDEREUQCSA-N 1 1 179.263 1.263 10 30 ADEEMO C[N@@H+](CCCC#N)C[C@@H]1CCCCO1 42371599 343241185 /nfs/dbraw/zinc/24/11/85/343241185.db2.gz HMBBXVBMVZHPCI-NSHDSACASA-N 1 1 196.294 1.791 10 30 ADEEMO C[N@@H+](CCCC#N)C[C@H]1CCCCO1 42371600 343241198 /nfs/dbraw/zinc/24/11/98/343241198.db2.gz HMBBXVBMVZHPCI-LLVKDONJSA-N 1 1 196.294 1.791 10 30 ADEEMO C[C@H](C#N)CN(C)c1cc[nH+]cc1N 42455100 343243474 /nfs/dbraw/zinc/24/34/74/343243474.db2.gz QYLIEDWVACEOAY-MRVPVSSYSA-N 1 1 190.250 1.260 10 30 ADEEMO C[C@H](C#N)CN(C)c1cc[nH+]cc1 42461311 343243959 /nfs/dbraw/zinc/24/39/59/343243959.db2.gz BCCPLRDMTCHBCN-SECBINFHSA-N 1 1 175.235 1.677 10 30 ADEEMO CCc1ccc(C(NC)=[NH+]N)s1 43642143 343257754 /nfs/dbraw/zinc/25/77/54/343257754.db2.gz VOOOSAVRTFYTKY-UHFFFAOYSA-N 1 1 183.280 1.150 10 30 ADEEMO CC[C@@H](C#N)N1CC[NH+](C2CC2)CC1 43556587 343255043 /nfs/dbraw/zinc/25/50/43/343255043.db2.gz OASBXCADYVKEBL-JTQLQIEISA-N 1 1 193.294 1.069 10 30 ADEEMO C[C@H]1CCCC[C@H]1[N@@H+](C)CC=O 43803561 343259974 /nfs/dbraw/zinc/25/99/74/343259974.db2.gz GOYJDYDNDOQEGE-VHSXEESVSA-N 1 1 169.268 1.696 10 30 ADEEMO C[C@H]1CCCC[C@@H]1[N@@H+](C)CC=O 43803556 343260027 /nfs/dbraw/zinc/26/00/27/343260027.db2.gz GOYJDYDNDOQEGE-UWVGGRQHSA-N 1 1 169.268 1.696 10 30 ADEEMO C[C@H](C#N)C[N@@H+](C)[C@@H]1CCCC[C@@H]1O 44413496 343265397 /nfs/dbraw/zinc/26/53/97/343265397.db2.gz HSPBXEWAANKLTH-MXWKQRLJSA-N 1 1 196.294 1.381 10 30 ADEEMO CC[N@@H+](C[C@@H](C)C#N)CC(C)(C)O 44413222 343265439 /nfs/dbraw/zinc/26/54/39/343265439.db2.gz FJCVDQMPDVMHTR-VIFPVBQESA-N 1 1 184.283 1.239 10 30 ADEEMO C[N@@H+](CCCCC#N)C[C@@H]1CCCO1 49579438 343276208 /nfs/dbraw/zinc/27/62/08/343276208.db2.gz ORNNZLKXNUNMKH-NSHDSACASA-N 1 1 196.294 1.791 10 30 ADEEMO C[C@@H]1CC[N@H+](C[C@](C)(N)C#N)[C@H](C)C1 51747420 343292845 /nfs/dbraw/zinc/29/28/45/343292845.db2.gz CLFHBUFDCIFJLE-GMTAPVOTSA-N 1 1 195.310 1.348 10 30 ADEEMO C[C@@H]1CC[N@@H+](C[C@](C)(N)C#N)[C@H](C)C1 51747420 343292847 /nfs/dbraw/zinc/29/28/47/343292847.db2.gz CLFHBUFDCIFJLE-GMTAPVOTSA-N 1 1 195.310 1.348 10 30 ADEEMO Cc1[nH+]cn([C@H](C)CC#N)c1C 51927007 343296232 /nfs/dbraw/zinc/29/62/32/343296232.db2.gz QAOUQJOQCHCJSA-SSDOTTSWSA-N 1 1 163.224 1.975 10 30 ADEEMO Cc1[nH+]cn(CC[C@](C)(N)C#N)c1C 51928031 343296588 /nfs/dbraw/zinc/29/65/88/343296588.db2.gz XRPXZDWUUBMAIV-JTQLQIEISA-N 1 1 192.266 1.131 10 30 ADEEMO C=C[C@H](C)[NH+]1CCC(=O)CC1 52142208 343301332 /nfs/dbraw/zinc/30/13/32/343301332.db2.gz PXLJYKKNQYSIEF-QMMMGPOBSA-N 1 1 153.225 1.226 10 30 ADEEMO N#CCCC[N@@H+]1CCC[C@@H]1CCCO 52759557 343306958 /nfs/dbraw/zinc/30/69/58/343306958.db2.gz JRPNDTGZVBEPPH-LLVKDONJSA-N 1 1 196.294 1.527 10 30 ADEEMO N#CCC[N@@H+]1CCC[C@H]1CCCO 52759554 343307107 /nfs/dbraw/zinc/30/71/07/343307107.db2.gz KLKSEJSLROSSKS-JTQLQIEISA-N 1 1 182.267 1.137 10 30 ADEEMO CC#CC[N@H+]1CCC[C@@H]1CCCO 52762651 343307110 /nfs/dbraw/zinc/30/71/10/343307110.db2.gz QJTNCNNXADZWQD-LLVKDONJSA-N 1 1 181.279 1.247 10 30 ADEEMO C=C(C)C[N@H+]1CCC[C@H]1CCCO 52762752 343307115 /nfs/dbraw/zinc/30/71/15/343307115.db2.gz LCAJJLFJWGCAFT-NSHDSACASA-N 1 1 183.295 1.799 10 30 ADEEMO CC[C@H](C#N)N(C)[C@@H]1CCC[N@@H+](C)C1 53245308 343313521 /nfs/dbraw/zinc/31/35/21/343313521.db2.gz FIUXGSPRBKQBCL-GHMZBOCLSA-N 1 1 195.310 1.315 10 30 ADEEMO O=C[C@@H]1CCC[N@H+](C2CCCC2)C1 54219018 343320301 /nfs/dbraw/zinc/32/03/01/343320301.db2.gz WLERSAWMKHBZQC-SNVBAGLBSA-N 1 1 181.279 1.840 10 30 ADEEMO C=C(Cl)C[N@@H+]1CCC[C@H](C=O)C1 54219199 343320561 /nfs/dbraw/zinc/32/05/61/343320561.db2.gz SDEJHUUMAATISH-VIFPVBQESA-N 1 1 187.670 1.650 10 30 ADEEMO C=C(Cl)C[N@H+]1CCC[C@H](C=O)C1 54219199 343320562 /nfs/dbraw/zinc/32/05/62/343320562.db2.gz SDEJHUUMAATISH-VIFPVBQESA-N 1 1 187.670 1.650 10 30 ADEEMO CC(C)=CC[N@H+]1CCC[C@@H](C=O)C1 54219194 343320633 /nfs/dbraw/zinc/32/06/33/343320633.db2.gz HHWUFTZRJJLGNQ-LLVKDONJSA-N 1 1 181.279 1.864 10 30 ADEEMO O=C[C@H]1CCC[N@H+](C/C=C/Cl)C1 54219176 343320636 /nfs/dbraw/zinc/32/06/36/343320636.db2.gz SBDFBPNZBOCCSB-LXOKAJLYSA-N 1 1 187.670 1.650 10 30 ADEEMO O=C[C@H]1CCCC[N@H+]1C[C@@H]1CCOC1 54237819 343320645 /nfs/dbraw/zinc/32/06/45/343320645.db2.gz NWSXZDZMJHHUDD-WDEREUQCSA-N 1 1 197.278 1.076 10 30 ADEEMO O=C[C@H]1CCCC[N@H+]1C1CCCC1 54237902 343320658 /nfs/dbraw/zinc/32/06/58/343320658.db2.gz PSUHSKAFJWVYPL-LLVKDONJSA-N 1 1 181.279 1.982 10 30 ADEEMO N#CC1([NH3+])C2CC3CC(C2)CC1C3 57532486 343337617 /nfs/dbraw/zinc/33/76/17/343337617.db2.gz HNHLSTMADQVMMP-UHFFFAOYSA-N 1 1 176.263 1.664 10 30 ADEEMO CC(C)(C)NC(CC(F)(F)F)=[NH+]N 58565371 343341216 /nfs/dbraw/zinc/34/12/16/343341216.db2.gz BLQJMXAERNXNOA-UHFFFAOYSA-N 1 1 197.204 1.599 10 30 ADEEMO C[C@H]1C[N@@H+](CCS)CCS1 59563552 343345780 /nfs/dbraw/zinc/34/57/80/343345780.db2.gz IVVDDLCBNOODFN-ZETCQYMHSA-N 1 1 177.338 1.354 10 30 ADEEMO COCCC[N@@H+](C)[C@H]1CCC[C@@H]1C#N 62031450 343370253 /nfs/dbraw/zinc/37/02/53/343370253.db2.gz QZGYWOZBJGGOSH-MNOVXSKESA-N 1 1 196.294 1.647 10 30 ADEEMO CC1(C)CC[C@@H](C#N)[NH2+]1 62715174 343377863 /nfs/dbraw/zinc/37/78/63/343377863.db2.gz YTZMFHLIFAMMJI-LURJTMIESA-N 1 1 124.187 1.041 10 30 ADEEMO C#CC(C)(C)[NH2+][C@H]1CCC[C@@H]1C#N 69681305 343433400 /nfs/dbraw/zinc/43/34/00/343433400.db2.gz IAHBNSROMPYOSU-ZJUUUORDSA-N 1 1 176.263 1.680 10 30 ADEEMO C=C[C@H](C)[N@H+]1[C@@H](C)CCC[C@H]1CN 69723454 343437899 /nfs/dbraw/zinc/43/78/99/343437899.db2.gz PGGOFTKGYMRUAK-DCAQKATOSA-N 1 1 182.311 1.763 10 30 ADEEMO C=C[C@H](C)N1[C@@H](C)CCC[C@H]1C[NH3+] 69723454 343437900 /nfs/dbraw/zinc/43/79/00/343437900.db2.gz PGGOFTKGYMRUAK-DCAQKATOSA-N 1 1 182.311 1.763 10 30 ADEEMO C[C@@H]1CSCC[N@H+]1CCC=O 69761228 343439771 /nfs/dbraw/zinc/43/97/71/343439771.db2.gz BCYJTFWZYGICHI-MRVPVSSYSA-N 1 1 173.281 1.013 10 30 ADEEMO CC(C)[N@@H+](CCC#N)[C@@H]1CCOC1 69622554 343426856 /nfs/dbraw/zinc/42/68/56/343426856.db2.gz FSFYSUOALILTEF-SNVBAGLBSA-N 1 1 182.267 1.399 10 30 ADEEMO C=C[C@H](C)[NH+]1C[C@@H](C)N[C@H](C)C1 69629903 343428437 /nfs/dbraw/zinc/42/84/37/343428437.db2.gz IPEOFJOUOLVKBP-BBBLOLIVSA-N 1 1 168.284 1.243 10 30 ADEEMO CC[C@]1(C)C[C@@]([NH3+])(C#N)CCO1 69892693 343451414 /nfs/dbraw/zinc/45/14/14/343451414.db2.gz OTLNSALRPMDOOF-RKDXNWHRSA-N 1 1 168.240 1.187 10 30 ADEEMO CC#CC[NH2+][C@@H]1COc2ccccc21 70068899 343473686 /nfs/dbraw/zinc/47/36/86/343473686.db2.gz YGLGTBPFYLWSAW-LLVKDONJSA-N 1 1 187.242 1.733 10 30 ADEEMO CC(C)[C@H]1CCC[N@@H+](CC=O)CC1 70613939 343502825 /nfs/dbraw/zinc/50/28/25/343502825.db2.gz WQMTYQANGDSIIT-NSHDSACASA-N 1 1 183.295 1.943 10 30 ADEEMO C[C@H]1CC[C@]([NH3+])(C#N)C1 70644531 343515595 /nfs/dbraw/zinc/51/55/95/343515595.db2.gz BBQHETXKUMTVMK-NKWVEPMBSA-N 1 1 124.187 1.027 10 30 ADEEMO C[C@@H]1CC[C@@]([NH3+])(C#N)C1 70644532 343515599 /nfs/dbraw/zinc/51/55/99/343515599.db2.gz BBQHETXKUMTVMK-RQJHMYQMSA-N 1 1 124.187 1.027 10 30 ADEEMO CC[C@H]1CC[C@]([NH3+])(C#N)C1 70644527 343515621 /nfs/dbraw/zinc/51/56/21/343515621.db2.gz BLWGVIHLGYMFAO-JGVFFNPUSA-N 1 1 138.214 1.418 10 30 ADEEMO Cc1c[nH+]c(N)c(CCC=O)c1 70738992 343528050 /nfs/dbraw/zinc/52/80/50/343528050.db2.gz FSKJOOJUVHMEDC-UHFFFAOYSA-N 1 1 164.208 1.104 10 30 ADEEMO N#C[C@H]1CCC[N@H+](C2CCOCC2)C1 70663388 343522841 /nfs/dbraw/zinc/52/28/41/343522841.db2.gz FWAXUCOQDKKJDY-SNVBAGLBSA-N 1 1 194.278 1.401 10 30 ADEEMO C[N@@H+](Cc1ccnc(C#N)c1)C1CC1 82668852 343609721 /nfs/dbraw/zinc/60/97/21/343609721.db2.gz VHRPGQDSYLXTJM-UHFFFAOYSA-N 1 1 187.246 1.547 10 30 ADEEMO C=C(CC)C[N@H+]1CC[C@H](C(=O)OC)C1 87417012 343660812 /nfs/dbraw/zinc/66/08/12/343660812.db2.gz XXIPGIAPTUYGGJ-JTQLQIEISA-N 1 1 197.278 1.448 10 30 ADEEMO Cc1[nH+]cn2ccnc(CC#N)c12 89195447 343672352 /nfs/dbraw/zinc/67/23/52/343672352.db2.gz OCCBMSLYRLGSKU-UHFFFAOYSA-N 1 1 172.191 1.104 10 30 ADEEMO Cc1cn2c[nH+]cc2c(CC#N)n1 89195437 343672359 /nfs/dbraw/zinc/67/23/59/343672359.db2.gz LBPKKRYYDKFUCP-UHFFFAOYSA-N 1 1 172.191 1.104 10 30 ADEEMO C#CC[C@H]([NH3+])c1nc(C2CCC2)no1 127767566 343818183 /nfs/dbraw/zinc/81/81/83/343818183.db2.gz MHIHWRQQFFRDCN-QMMMGPOBSA-N 1 1 191.234 1.360 10 30 ADEEMO C#CC[C@@H]([NH3+])c1nc(C2CCC2)no1 127767800 343818898 /nfs/dbraw/zinc/81/88/98/343818898.db2.gz MHIHWRQQFFRDCN-MRVPVSSYSA-N 1 1 191.234 1.360 10 30 ADEEMO N#Cc1ccc2cc[nH+]cc2c1N 131874282 343890432 /nfs/dbraw/zinc/89/04/32/343890432.db2.gz UCFKHSXEAFABOL-UHFFFAOYSA-N 1 1 169.187 1.689 10 30 ADEEMO CC#CCN[C@H]1CC[N@H+](CC)[C@@H](C)C1 131591394 343886539 /nfs/dbraw/zinc/88/65/39/343886539.db2.gz FEMUDFSJKBKUCR-RYUDHWBXSA-N 1 1 194.322 1.472 10 30 ADEEMO CC#CC[NH2+][C@H]1CCN(CC)[C@@H](C)C1 131591394 343886542 /nfs/dbraw/zinc/88/65/42/343886542.db2.gz FEMUDFSJKBKUCR-RYUDHWBXSA-N 1 1 194.322 1.472 10 30 ADEEMO C#CC(C)(C)[N@H+](C)CCC 39078510 166011871 /nfs/dbraw/zinc/01/18/71/166011871.db2.gz NEJHNAGZPMOYNR-UHFFFAOYSA-N 1 1 139.242 1.740 10 30 ADEEMO C#CC(C)(C)[N@H+]1CCC(=O)[C@H](C)C1 19798212 166012063 /nfs/dbraw/zinc/01/20/63/166012063.db2.gz ZEEHWWZVCHLPFS-SECBINFHSA-N 1 1 179.263 1.309 10 30 ADEEMO C#CC(C)(C)[N@@H+]1CCC(=O)[C@H](C)C1 19798212 166012066 /nfs/dbraw/zinc/01/20/66/166012066.db2.gz ZEEHWWZVCHLPFS-SECBINFHSA-N 1 1 179.263 1.309 10 30 ADEEMO C#CC(C)(C)[N@@H+](C)CC=C 39078302 166012081 /nfs/dbraw/zinc/01/20/81/166012081.db2.gz IABRQDFZSNUJRR-UHFFFAOYSA-N 1 1 137.226 1.516 10 30 ADEEMO C#CC(C)(C)[N@H+]1CCC(=O)[C@@H](C)C1 19798214 166012221 /nfs/dbraw/zinc/01/22/21/166012221.db2.gz ZEEHWWZVCHLPFS-VIFPVBQESA-N 1 1 179.263 1.309 10 30 ADEEMO C#CC(C)(C)[N@@H+]1CCC(=O)[C@@H](C)C1 19798214 166012223 /nfs/dbraw/zinc/01/22/23/166012223.db2.gz ZEEHWWZVCHLPFS-VIFPVBQESA-N 1 1 179.263 1.309 10 30 ADEEMO C#CC(C)(C)[NH2+][C@@H](C)CC#N 17672425 166012264 /nfs/dbraw/zinc/01/22/64/166012264.db2.gz HKJSTOGVMYLIPT-QMMMGPOBSA-N 1 1 150.225 1.290 10 30 ADEEMO C#CC1=C(C)C[N@@H+](C)[C@@H](C)C1 39049762 166014229 /nfs/dbraw/zinc/01/42/29/166014229.db2.gz XJAOMNSCAPETMZ-VIFPVBQESA-N 1 1 149.237 1.660 10 30 ADEEMO C#CC1=C(C)C[N@@H+](C)CC1 39049296 166014380 /nfs/dbraw/zinc/01/43/80/166014380.db2.gz SNVGUVFYHPWJLY-UHFFFAOYSA-N 1 1 135.210 1.272 10 30 ADEEMO C#CC1=C(C)C[N@@H+](C)[C@H](C)C1 39049760 166015232 /nfs/dbraw/zinc/01/52/32/166015232.db2.gz XJAOMNSCAPETMZ-SECBINFHSA-N 1 1 149.237 1.660 10 30 ADEEMO C#CCC1=CCC[N@H+](C)C1 39078134 166015345 /nfs/dbraw/zinc/01/53/45/166015345.db2.gz QXFKNPYUYTXVDL-UHFFFAOYSA-N 1 1 135.210 1.272 10 30 ADEEMO C#CC[N@H+](C)[C@@H](C)CCCCO 13727789 166016695 /nfs/dbraw/zinc/01/66/95/166016695.db2.gz HBDDRJJEDYDFCF-JTQLQIEISA-N 1 1 169.268 1.103 10 30 ADEEMO C#CC[N@H+](CC)C1CCCC1 41654548 166016753 /nfs/dbraw/zinc/01/67/53/166016753.db2.gz GGAUBBQEBXYEBH-UHFFFAOYSA-N 1 1 151.253 1.884 10 30 ADEEMO C#CC[N@H+](C)CC(C)C 42011954 166016916 /nfs/dbraw/zinc/01/69/16/166016916.db2.gz PXSBDYSANRIYRJ-UHFFFAOYSA-N 1 1 125.215 1.207 10 30 ADEEMO C#CC[N@H+](C)[C@@H](C)C(C)C 41654507 166016921 /nfs/dbraw/zinc/01/69/21/166016921.db2.gz ZUVWXILWMJWICX-VIFPVBQESA-N 1 1 139.242 1.596 10 30 ADEEMO C#CC[N@@H+](C)CCc1cccc(O)c1 13492358 166016939 /nfs/dbraw/zinc/01/69/39/166016939.db2.gz ADEGSDRAQWTWTK-UHFFFAOYSA-N 1 1 189.258 1.500 10 30 ADEEMO C#CC[N@@H+](C)Cc1ccc[nH]1 13493583 166016956 /nfs/dbraw/zinc/01/69/56/166016956.db2.gz PFQFUSNKIZWHOA-UHFFFAOYSA-N 1 1 148.209 1.080 10 30 in-vivo ADEEMO C#CC[N@H+](C)Cc1ccc[nH]1 13493583 166016959 /nfs/dbraw/zinc/01/69/59/166016959.db2.gz PFQFUSNKIZWHOA-UHFFFAOYSA-N 1 1 148.209 1.080 10 30 in-vivo ADEEMO C#CC[N@H+](CC)[C@@H](C)CC 42011950 166017065 /nfs/dbraw/zinc/01/70/65/166017065.db2.gz KDGALPHTXMGZJB-VIFPVBQESA-N 1 1 139.242 1.740 10 30 ADEEMO C#CC[N@H+](C)Cc1ccc(N)cc1 34574701 166017107 /nfs/dbraw/zinc/01/71/07/166017107.db2.gz IPIVVGRNRGBXPW-UHFFFAOYSA-N 1 1 174.247 1.334 10 30 ADEEMO C#CC[N@H+](CC)[C@H](C)CC 42011948 166017162 /nfs/dbraw/zinc/01/71/62/166017162.db2.gz KDGALPHTXMGZJB-SECBINFHSA-N 1 1 139.242 1.740 10 30 ADEEMO C#CC[N@H+](C)[C@H](C)C1CC1 21407125 166017173 /nfs/dbraw/zinc/01/71/73/166017173.db2.gz RYTMDVSORWTTIG-MRVPVSSYSA-N 1 1 137.226 1.350 10 30 ADEEMO C#CC[N@H+](C)C[C@H](C)CC 42011960 166017392 /nfs/dbraw/zinc/01/73/92/166017392.db2.gz ILJNSUKJOUAGMP-SECBINFHSA-N 1 1 139.242 1.598 10 30 ADEEMO C#CC[N@H+](CC)C1CC1 41654531 166017396 /nfs/dbraw/zinc/01/73/96/166017396.db2.gz GDBCDOASGPPEMP-UHFFFAOYSA-N 1 1 123.199 1.104 10 30 ADEEMO C#CC[N@H+](C)[C@H](C(C)=O)C(C)C 36022851 166017472 /nfs/dbraw/zinc/01/74/72/166017472.db2.gz HKHVSJKIVKXORR-JTQLQIEISA-N 1 1 167.252 1.165 10 30 ADEEMO C#CC[N@H+](C)[C@H](C)CCCCO 13727792 166017522 /nfs/dbraw/zinc/01/75/22/166017522.db2.gz HBDDRJJEDYDFCF-SNVBAGLBSA-N 1 1 169.268 1.103 10 30 ADEEMO C#CC[N@H+](C)CC(C)(C)C 45086576 166017637 /nfs/dbraw/zinc/01/76/37/166017637.db2.gz ICUBGGRTXHCCCT-UHFFFAOYSA-N 1 1 139.242 1.598 10 30 ADEEMO C#CC[N@H+](CC)C(C)C 41654567 166017828 /nfs/dbraw/zinc/01/78/28/166017828.db2.gz GLFVFYOKQAVTNK-UHFFFAOYSA-N 1 1 125.215 1.350 10 30 ADEEMO C#CC[N@H+](C)[C@H](C)C(C)C 41654501 166017861 /nfs/dbraw/zinc/01/78/61/166017861.db2.gz ZUVWXILWMJWICX-SECBINFHSA-N 1 1 139.242 1.596 10 30 ADEEMO C#CC[N@H+](C)[C@H](C)CC 13727758 166017985 /nfs/dbraw/zinc/01/79/85/166017985.db2.gz CJRQAPHWCGEATR-MRVPVSSYSA-N 1 1 125.215 1.350 10 30 ADEEMO C#CC[N@H+](C)C[C@@H](C)CC 42011962 166018286 /nfs/dbraw/zinc/01/82/86/166018286.db2.gz ILJNSUKJOUAGMP-VIFPVBQESA-N 1 1 139.242 1.598 10 30 ADEEMO C#CC[N@@H+](C)Cc1ccoc1 42371581 166018307 /nfs/dbraw/zinc/01/83/07/166018307.db2.gz CMUJXDHZUBIVAV-UHFFFAOYSA-N 1 1 149.193 1.345 10 30 ADEEMO C#CC[N@H+](C)Cc1ccoc1 42371581 166018308 /nfs/dbraw/zinc/01/83/08/166018308.db2.gz CMUJXDHZUBIVAV-UHFFFAOYSA-N 1 1 149.193 1.345 10 30 ADEEMO C#CC[N@H+](C)[C@@H](C)C1CC1 21407122 166018330 /nfs/dbraw/zinc/01/83/30/166018330.db2.gz RYTMDVSORWTTIG-QMMMGPOBSA-N 1 1 137.226 1.350 10 30 ADEEMO C#CC[N@H+](C)CCC(C)C 42338322 166018347 /nfs/dbraw/zinc/01/83/47/166018347.db2.gz DMULAEYWJKKTNS-UHFFFAOYSA-N 1 1 139.242 1.598 10 30 ADEEMO C#CC[N@H+](C)C(C)(C)CC 39168034 166018363 /nfs/dbraw/zinc/01/83/63/166018363.db2.gz LGKXCYMGQLLXDL-UHFFFAOYSA-N 1 1 139.242 1.740 10 30 ADEEMO C#CC[N@H+](C)CCCCC(=O)OCC 27193358 166018373 /nfs/dbraw/zinc/01/83/73/166018373.db2.gz CXXYGIAAJUAZMK-UHFFFAOYSA-N 1 1 197.278 1.285 10 30 ADEEMO C#CC[N@H+](C)[C@@H](C(C)=O)C(C)C 36022852 166018391 /nfs/dbraw/zinc/01/83/91/166018391.db2.gz HKHVSJKIVKXORR-SNVBAGLBSA-N 1 1 167.252 1.165 10 30 ADEEMO C#CC[N@H+](C)C/C=C\C 39073700 166018396 /nfs/dbraw/zinc/01/83/96/166018396.db2.gz MMBUULUHYVNKLN-XQRVVYSFSA-N 1 1 123.199 1.128 10 30 ADEEMO C#CC[N@@H+](C)CCC=C 39073699 166018405 /nfs/dbraw/zinc/01/84/05/166018405.db2.gz JJZCOFGVOJNKRR-UHFFFAOYSA-N 1 1 123.199 1.128 10 30 ADEEMO C#CC[N@@H+](C)Cc1cccn1C 14959106 166018428 /nfs/dbraw/zinc/01/84/28/166018428.db2.gz JMIQTVVTXCRGJS-UHFFFAOYSA-N 1 1 162.236 1.090 10 30 ADEEMO C#CC[N@H+](C)Cc1cccn1C 14959106 166018429 /nfs/dbraw/zinc/01/84/29/166018429.db2.gz JMIQTVVTXCRGJS-UHFFFAOYSA-N 1 1 162.236 1.090 10 30 ADEEMO C#CC[N@H+](C)CCCC 13727765 166018480 /nfs/dbraw/zinc/01/84/80/166018480.db2.gz NJBSAFGMLJQVNT-UHFFFAOYSA-N 1 1 125.215 1.352 10 30 in-vivo ADEEMO C#CC[N@H+](C)[C@@H](C)CC 13727762 166018522 /nfs/dbraw/zinc/01/85/22/166018522.db2.gz CJRQAPHWCGEATR-QMMMGPOBSA-N 1 1 125.215 1.350 10 30 ADEEMO C#CC[N@H+](C)CCCCC 13727768 166018613 /nfs/dbraw/zinc/01/86/13/166018613.db2.gz ZLSSWZIIDZZNDQ-UHFFFAOYSA-N 1 1 139.242 1.742 10 30 in-vivo ADEEMO C#CC[N@H+](C)C(CC)CC 13727771 166019103 /nfs/dbraw/zinc/01/91/03/166019103.db2.gz LUCINTCGSUYAPK-UHFFFAOYSA-N 1 1 139.242 1.740 10 30 ADEEMO C#CC[N@H+](CCC)C1CC1 23804688 166019295 /nfs/dbraw/zinc/01/92/95/166019295.db2.gz IJXUDPOZKOJJRY-UHFFFAOYSA-N 1 1 137.226 1.494 10 30 ADEEMO C#CC[N@H+](CCC)C(C)C 42011952 166019582 /nfs/dbraw/zinc/01/95/82/166019582.db2.gz OQSJNYXIPBHYJY-UHFFFAOYSA-N 1 1 139.242 1.740 10 30 ADEEMO C#CC[N@@H+](CC1CC1)C(C)C 42253447 166019762 /nfs/dbraw/zinc/01/97/62/166019762.db2.gz DSBIWGFPIMZLTQ-UHFFFAOYSA-N 1 1 151.253 1.740 10 30 ADEEMO C#CC[N@@H+](CCN(C)C)CC(C)C 42779627 166019786 /nfs/dbraw/zinc/01/97/86/166019786.db2.gz IRSNJHXNKHATCR-UHFFFAOYSA-N 1 1 182.311 1.139 10 30 ADEEMO C#CC[N@H+](CCN(C)C)CC(C)C 42779627 166019787 /nfs/dbraw/zinc/01/97/87/166019787.db2.gz IRSNJHXNKHATCR-UHFFFAOYSA-N 1 1 182.311 1.139 10 30 ADEEMO C#CC[N@H+](CCO)C(CC)CC 42513640 166020081 /nfs/dbraw/zinc/02/00/81/166020081.db2.gz MQNKWLIUKUPLJX-UHFFFAOYSA-N 1 1 169.268 1.103 10 30 ADEEMO C#CCN(CCC)C1CC[NH2+]CC1 37469611 166020316 /nfs/dbraw/zinc/02/03/16/166020316.db2.gz LAEQCASXSBYDSK-UHFFFAOYSA-N 1 1 180.295 1.084 10 30 ADEEMO C#CC[N@H+](c1ccncc1)n1cccc1 13745988 166020332 /nfs/dbraw/zinc/02/03/32/166020332.db2.gz LWBXLRXYQKVTRB-UHFFFAOYSA-N 1 1 197.241 1.786 10 30 ADEEMO C#CC[NH2+]C1CCN(C(C)C)CC1 19875376 166021153 /nfs/dbraw/zinc/02/11/53/166021153.db2.gz JDKVROKALXBRGZ-UHFFFAOYSA-N 1 1 180.295 1.082 10 30 ADEEMO C#CCNC[C@@H](C)[NH+]1CCC(C)CC1 53485737 166021178 /nfs/dbraw/zinc/02/11/78/166021178.db2.gz YWDYTYSLHMXCHO-GFCCVEGCSA-N 1 1 194.322 1.330 10 30 ADEEMO C#CCNC[C@@H](C)[NH+]1CCCCC1 50522321 166021275 /nfs/dbraw/zinc/02/12/75/166021275.db2.gz KXQZFHWYOCRCTJ-LLVKDONJSA-N 1 1 180.295 1.084 10 30 ADEEMO C#CC[NH2+]CCN1C[C@H](C)C[C@@H](C)C1 53344548 166021338 /nfs/dbraw/zinc/02/13/38/166021338.db2.gz PHRMEQGGGDPXPI-VXGBXAGGSA-N 1 1 194.322 1.187 10 30 ADEEMO C#CCNCC[NH+]1CCC(C)(C)CC1 61823438 166021604 /nfs/dbraw/zinc/02/16/04/166021604.db2.gz FECCSJHCVPANTG-UHFFFAOYSA-N 1 1 194.322 1.331 10 30 ADEEMO C#CC[NH2+]C[C@@H](C)N1CCCCCC1 53486581 166021683 /nfs/dbraw/zinc/02/16/83/166021683.db2.gz SWELSKDYHNDUEM-GFCCVEGCSA-N 1 1 194.322 1.474 10 30 ADEEMO C#CC[NH2+]C1CCN(CCC)CC1 19875382 166021744 /nfs/dbraw/zinc/02/17/44/166021744.db2.gz VSGQBSQAMHCNSD-UHFFFAOYSA-N 1 1 180.295 1.084 10 30 ADEEMO C#CC[NH2+]CCN1C[C@@H](C)C[C@H](C)C1 53344547 166021918 /nfs/dbraw/zinc/02/19/18/166021918.db2.gz PHRMEQGGGDPXPI-RYUDHWBXSA-N 1 1 194.322 1.187 10 30 ADEEMO C#CCNCC[C@H]1CCCC[N@@H+]1C 49857786 166022412 /nfs/dbraw/zinc/02/24/12/166022412.db2.gz WSQHVMIJLQZXRZ-LLVKDONJSA-N 1 1 180.295 1.084 10 30 ADEEMO C#CC[NH2+]CC(=C)Br 37680838 166022437 /nfs/dbraw/zinc/02/24/37/166022437.db2.gz CHSMZMODKMPWRK-UHFFFAOYSA-N 1 1 174.041 1.118 10 30 ADEEMO C#CCNCCC[N@@H+]1CCCC[C@@H]1C 49900107 166022491 /nfs/dbraw/zinc/02/24/91/166022491.db2.gz FUEXWERYSMBTDG-LBPRGKRZSA-N 1 1 194.322 1.474 10 30 ADEEMO C#CCNCC[N@H+]1C[C@@H](C)C[C@@H](C)C1 53344546 166022503 /nfs/dbraw/zinc/02/25/03/166022503.db2.gz PHRMEQGGGDPXPI-TXEJJXNPSA-N 1 1 194.322 1.187 10 30 ADEEMO C#CC[NH2+]CCN1C[C@@H](C)C[C@@H](C)C1 53344546 166022504 /nfs/dbraw/zinc/02/25/04/166022504.db2.gz PHRMEQGGGDPXPI-TXEJJXNPSA-N 1 1 194.322 1.187 10 30 ADEEMO C#CC[NH2+]CCN(C(C)C)C(C)C 49801763 166022531 /nfs/dbraw/zinc/02/25/31/166022531.db2.gz DLNFSDQTKLBIDW-UHFFFAOYSA-N 1 1 182.311 1.328 10 30 ADEEMO C#CC[NH2+]CCN1CCCCCC1 53343850 166022579 /nfs/dbraw/zinc/02/25/79/166022579.db2.gz NGYDEHTVWVAREB-UHFFFAOYSA-N 1 1 180.295 1.085 10 30 ADEEMO C#CCNCC[N@H+]1CCCC[C@H]1C 53343463 166022701 /nfs/dbraw/zinc/02/27/01/166022701.db2.gz REBDBGQFSFHJRE-LLVKDONJSA-N 1 1 180.295 1.084 10 30 ADEEMO C#CCNCC[N@@H+]1CCCC[C@H]1C 53343463 166022704 /nfs/dbraw/zinc/02/27/04/166022704.db2.gz REBDBGQFSFHJRE-LLVKDONJSA-N 1 1 180.295 1.084 10 30 ADEEMO C#CCNCC[N@H+]1CCCC[C@@H]1C 53343464 166022733 /nfs/dbraw/zinc/02/27/33/166022733.db2.gz REBDBGQFSFHJRE-NSHDSACASA-N 1 1 180.295 1.084 10 30 ADEEMO C#CCNCC[N@@H+]1CCCC[C@@H]1C 53343464 166022734 /nfs/dbraw/zinc/02/27/34/166022734.db2.gz REBDBGQFSFHJRE-NSHDSACASA-N 1 1 180.295 1.084 10 30 ADEEMO C#CCNCCC[N@@H+]1CCCC[C@H]1C 49900106 166022912 /nfs/dbraw/zinc/02/29/12/166022912.db2.gz FUEXWERYSMBTDG-GFCCVEGCSA-N 1 1 194.322 1.474 10 30 ADEEMO C#CCNCC[C@@H]1CCCC[N@@H+]1C 49857787 166022921 /nfs/dbraw/zinc/02/29/21/166022921.db2.gz WSQHVMIJLQZXRZ-NSHDSACASA-N 1 1 180.295 1.084 10 30 ADEEMO C#CC[NH2+]Cc1ccc(CC)o1 51721132 166023356 /nfs/dbraw/zinc/02/33/56/166023356.db2.gz QCNIVTSYSSDHFK-UHFFFAOYSA-N 1 1 163.220 1.565 10 30 ADEEMO C#CC[NH2+]Cc1cn2ccccc2n1 20033466 166023467 /nfs/dbraw/zinc/02/34/67/166023467.db2.gz DVBZAAGACCJQQD-UHFFFAOYSA-N 1 1 185.230 1.057 10 30 ADEEMO C#CC[NH2+]Cc1nc(C)cs1 50521992 166023645 /nfs/dbraw/zinc/02/36/45/166023645.db2.gz BXZCLNRNUBEESW-UHFFFAOYSA-N 1 1 166.249 1.174 10 30 ADEEMO C#CCNC[C@H](C)[N@H+]1CCC[C@@H]1C 53448109 166023889 /nfs/dbraw/zinc/02/38/89/166023889.db2.gz CPAVAIAHJWXRTL-QWRGUYRKSA-N 1 1 180.295 1.082 10 30 ADEEMO C#CC[NH2+]C[C@H](C)N1CCC[C@@H]1C 53448109 166023890 /nfs/dbraw/zinc/02/38/90/166023890.db2.gz CPAVAIAHJWXRTL-QWRGUYRKSA-N 1 1 180.295 1.082 10 30 ADEEMO C#CC[NH2+]Cc1cnc2ccccc2n1 37184860 166023936 /nfs/dbraw/zinc/02/39/36/166023936.db2.gz AYTYKSYRSZZKET-UHFFFAOYSA-N 1 1 197.241 1.353 10 30 ADEEMO C#CC[NH2+]Cc1ccccc1[N+](=O)[O-] 20033315 166023977 /nfs/dbraw/zinc/02/39/77/166023977.db2.gz IBVZQKMXZCXCGU-UHFFFAOYSA-N 1 1 190.202 1.318 10 30 ADEEMO C#CC[NH2+]Cc1cc(C#N)ccc1F 20033336 166024157 /nfs/dbraw/zinc/02/41/57/166024157.db2.gz MGFQLXMYRAROSN-UHFFFAOYSA-N 1 1 188.205 1.420 10 30 ADEEMO C#CC[NH2+]Cc1cccc(F)c1F 35054740 166024180 /nfs/dbraw/zinc/02/41/80/166024180.db2.gz ZAJGWFSVKJOXBW-UHFFFAOYSA-N 1 1 181.185 1.688 10 30 ADEEMO C#CC[NH2+]Cc1cc(F)ccc1F 37228219 166024182 /nfs/dbraw/zinc/02/41/82/166024182.db2.gz KTXVOCPFYLCWQB-UHFFFAOYSA-N 1 1 181.185 1.688 10 30 ADEEMO C#CC[NH2+]Cc1ccccc1C#N 20033327 166024184 /nfs/dbraw/zinc/02/41/84/166024184.db2.gz GOMCVHLPZICNNC-UHFFFAOYSA-N 1 1 170.215 1.281 10 30 ADEEMO C#CCNC[C@H](C)[N@H+]1CCC[C@@H](C)C1 53486471 166024186 /nfs/dbraw/zinc/02/41/86/166024186.db2.gz VWJOKSMXYGXAKO-NEPJUHHUSA-N 1 1 194.322 1.330 10 30 ADEEMO C#CC[NH2+]C[C@H](C)N1CCC[C@@H](C)C1 53486471 166024187 /nfs/dbraw/zinc/02/41/87/166024187.db2.gz VWJOKSMXYGXAKO-NEPJUHHUSA-N 1 1 194.322 1.330 10 30 ADEEMO C#CC[NH2+]Cc1nccn1C(F)F 36804877 166024221 /nfs/dbraw/zinc/02/42/21/166024221.db2.gz AWDTZLWYVBUUII-UHFFFAOYSA-N 1 1 185.177 1.001 10 30 ADEEMO C#CCNC[C@H](C)[N@H+]1CCCC[C@@H]1C 53486113 166024243 /nfs/dbraw/zinc/02/42/43/166024243.db2.gz CUFSXGICLLQAER-RYUDHWBXSA-N 1 1 194.322 1.472 10 30 ADEEMO C#CC[NH2+]C[C@H](C)N1CCCC[C@@H]1C 53486113 166024245 /nfs/dbraw/zinc/02/42/45/166024245.db2.gz CUFSXGICLLQAER-RYUDHWBXSA-N 1 1 194.322 1.472 10 30 ADEEMO C#CCNC[C@H](C)[NH+]1CCC(C)CC1 53485734 166024366 /nfs/dbraw/zinc/02/43/66/166024366.db2.gz YWDYTYSLHMXCHO-LBPRGKRZSA-N 1 1 194.322 1.330 10 30 ADEEMO C#CC[NH2+]Cc1ccc(C#N)cc1F 20033331 166024524 /nfs/dbraw/zinc/02/45/24/166024524.db2.gz PFMSAXBBSFTSMK-UHFFFAOYSA-N 1 1 188.205 1.420 10 30 ADEEMO C#CC[NH2+]Cc1csc([N+](=O)[O-])c1 37472303 166024529 /nfs/dbraw/zinc/02/45/29/166024529.db2.gz IPXMTBLPRZHCGZ-UHFFFAOYSA-N 1 1 196.231 1.379 10 30 ADEEMO C#CCNC[C@H](C)[NH+]1CCCCC1 50522319 166024565 /nfs/dbraw/zinc/02/45/65/166024565.db2.gz KXQZFHWYOCRCTJ-NSHDSACASA-N 1 1 180.295 1.084 10 30 ADEEMO C#CC[NH2+]Cc1ccc(Cl)o1 37487131 166024901 /nfs/dbraw/zinc/02/49/01/166024901.db2.gz BJIFLPYAGXURKK-UHFFFAOYSA-N 1 1 169.611 1.656 10 30 ADEEMO C#CC[NH2+]C[C@H](C)N1CCCCCC1 53486578 166025031 /nfs/dbraw/zinc/02/50/31/166025031.db2.gz SWELSKDYHNDUEM-LBPRGKRZSA-N 1 1 194.322 1.474 10 30 ADEEMO C#CC[NH2+][C@@H](C)c1ccc(F)cc1O 62744674 166025102 /nfs/dbraw/zinc/02/51/02/166025102.db2.gz QHRSDWFUNORIGO-QMMMGPOBSA-N 1 1 193.221 1.815 10 30 ADEEMO C#CC[NH2+]Cc1ccc(F)cc1F 19875347 166025232 /nfs/dbraw/zinc/02/52/32/166025232.db2.gz SATFDXYCWGWBTH-UHFFFAOYSA-N 1 1 181.185 1.688 10 30 ADEEMO C#CC[NH2+]Cc1ccc(C)o1 19875406 166025579 /nfs/dbraw/zinc/02/55/79/166025579.db2.gz YIVVEEMLVCFMAW-UHFFFAOYSA-N 1 1 149.193 1.311 10 30 ADEEMO C#CC[NH2+]Cc1c(F)cccc1F 19875368 166025589 /nfs/dbraw/zinc/02/55/89/166025589.db2.gz HKLMLMDDYPIWRJ-UHFFFAOYSA-N 1 1 181.185 1.688 10 30 ADEEMO C#CC[NH2+][C@H]1c2ccccc2C[C@@H]1F 84619999 166026034 /nfs/dbraw/zinc/02/60/34/166026034.db2.gz NYDFHNRLRLOAGB-RYUDHWBXSA-N 1 1 189.233 1.845 10 30 ADEEMO C#CC[NH2+][C@@H]1CCCC[C@H]1C#N 54822713 166026122 /nfs/dbraw/zinc/02/61/22/166026122.db2.gz DUJRUAMKSIUEHP-VHSXEESVSA-N 1 1 162.236 1.292 10 30 ADEEMO C#CCNc1cc(C)cc[nH+]1 50522647 166026319 /nfs/dbraw/zinc/02/63/19/166026319.db2.gz RWWZCAIYKOJIJC-UHFFFAOYSA-N 1 1 146.193 1.435 10 30 ADEEMO C#CCN[C@H](C)[C@H]1CCC[N@@H+](CC)C1 37208512 166026709 /nfs/dbraw/zinc/02/67/09/166026709.db2.gz FTDMMHYVABVTQO-NEPJUHHUSA-N 1 1 194.322 1.330 10 30 ADEEMO C#CCN[C@H](C)[C@H]1CCC[N@H+](CC)C1 37208512 166026710 /nfs/dbraw/zinc/02/67/10/166026710.db2.gz FTDMMHYVABVTQO-NEPJUHHUSA-N 1 1 194.322 1.330 10 30 ADEEMO C#CC[NH2+][C@H]1CCCCC[C@H]1C#N 54822718 166026794 /nfs/dbraw/zinc/02/67/94/166026794.db2.gz WQTAVXDMXSHBJR-QWRGUYRKSA-N 1 1 176.263 1.682 10 30 ADEEMO C#CC[NH2+][C@@H]1CCCCC[C@H]1C#N 54822717 166026952 /nfs/dbraw/zinc/02/69/52/166026952.db2.gz WQTAVXDMXSHBJR-WDEREUQCSA-N 1 1 176.263 1.682 10 30 ADEEMO C#CC[NH2+][C@H](C)c1ccc(F)cc1O 62744675 166027110 /nfs/dbraw/zinc/02/71/10/166027110.db2.gz QHRSDWFUNORIGO-MRVPVSSYSA-N 1 1 193.221 1.815 10 30 ADEEMO C#CC[NH2+][C@H]1COc2cc(O)ccc21 19875633 166027659 /nfs/dbraw/zinc/02/76/59/166027659.db2.gz ZQLYBNRKPFWDLL-JTQLQIEISA-N 1 1 189.214 1.049 10 30 ADEEMO C#CC[NH2+][C@@H]1CCCC[C@@H]1C#N 54822711 166027677 /nfs/dbraw/zinc/02/76/77/166027677.db2.gz DUJRUAMKSIUEHP-NXEZZACHSA-N 1 1 162.236 1.292 10 30 ADEEMO C#CC[NH2+][C@@H]1COc2cc(O)ccc21 19875634 166027721 /nfs/dbraw/zinc/02/77/21/166027721.db2.gz ZQLYBNRKPFWDLL-SNVBAGLBSA-N 1 1 189.214 1.049 10 30 ADEEMO C#CCN[C@H](C)[C@@H]1CCC[N@@H+](CC)C1 37208513 166027859 /nfs/dbraw/zinc/02/78/59/166027859.db2.gz FTDMMHYVABVTQO-VXGBXAGGSA-N 1 1 194.322 1.330 10 30 ADEEMO C#CCN[C@H](C)[C@@H]1CCC[N@H+](CC)C1 37208513 166027861 /nfs/dbraw/zinc/02/78/61/166027861.db2.gz FTDMMHYVABVTQO-VXGBXAGGSA-N 1 1 194.322 1.330 10 30 ADEEMO C#CC[NH2+][C@@H]1CCCCC[C@@H]1C#N 54822715 166027873 /nfs/dbraw/zinc/02/78/73/166027873.db2.gz WQTAVXDMXSHBJR-GHMZBOCLSA-N 1 1 176.263 1.682 10 30 ADEEMO C#CCNc1ccc(C)c[nH+]1 50522538 166028361 /nfs/dbraw/zinc/02/83/61/166028361.db2.gz OHRJMNBPJUJXIC-UHFFFAOYSA-N 1 1 146.193 1.435 10 30 ADEEMO C#CCNc1cccc(C)[nH+]1 50522623 166028462 /nfs/dbraw/zinc/02/84/62/166028462.db2.gz OTUYXEIAYQRRBJ-UHFFFAOYSA-N 1 1 146.193 1.435 10 30 ADEEMO C#CCNc1[nH+]cccc1C 51041215 166028503 /nfs/dbraw/zinc/02/85/03/166028503.db2.gz IKTWQOCXZOSVMI-UHFFFAOYSA-N 1 1 146.193 1.435 10 30 ADEEMO C#CCNc1[nH]c2ccccc2[nH+]1 53674274 166028543 /nfs/dbraw/zinc/02/85/43/166028543.db2.gz QBQHRJLGYQHEJB-UHFFFAOYSA-N 1 1 171.203 1.608 10 30 ADEEMO C#CCOc1ccccc1/C=[NH+]\C 39089825 166029807 /nfs/dbraw/zinc/02/98/07/166029807.db2.gz NKOUIWXCIFMBDQ-XFXZXTDPSA-N 1 1 173.215 1.747 10 30 ADEEMO C#CC[C@@H]1CC(=C)CC[N@@H+]1C 39079946 166031136 /nfs/dbraw/zinc/03/11/36/166031136.db2.gz YYKNGRBVLXAICG-SNVBAGLBSA-N 1 1 149.237 1.660 10 30 ADEEMO C#CC[C@@H]([NH2+]CC)c1ncccn1 51074998 166032052 /nfs/dbraw/zinc/03/20/52/166032052.db2.gz IZYTYIVTQJKHAN-SECBINFHSA-N 1 1 175.235 1.151 10 30 ADEEMO C#CC[C@H]([NH3+])c1nnc([C@@H](C)S)o1 83342782 166033312 /nfs/dbraw/zinc/03/33/12/166033312.db2.gz UVOWYBJGDHFDMZ-RITPCOANSA-N 1 1 197.263 1.084 10 30 ADEEMO C#CC[C@H]([NH2+]CC)c1ncccn1 51074997 166033322 /nfs/dbraw/zinc/03/33/22/166033322.db2.gz IZYTYIVTQJKHAN-VIFPVBQESA-N 1 1 175.235 1.151 10 30 ADEEMO C#CC[C@H]1CC(=C)CC[N@@H+]1C 39079943 166033608 /nfs/dbraw/zinc/03/36/08/166033608.db2.gz YYKNGRBVLXAICG-JTQLQIEISA-N 1 1 149.237 1.660 10 30 ADEEMO C#CC[C@H]([NH3+])c1nnc(/C=C/C)o1 83340307 166033943 /nfs/dbraw/zinc/03/39/43/166033943.db2.gz BXEQIUJMBLBLKT-KNIZRNDPSA-N 1 1 177.207 1.126 10 30 ADEEMO C#CC[C@H]([NH3+])c1nnc(C=C(C)C)o1 83341661 166034155 /nfs/dbraw/zinc/03/41/55/166034155.db2.gz BOQROVCRHMTBPY-QMMMGPOBSA-N 1 1 191.234 1.516 10 30 ADEEMO C#CC[C@H]([NH3+])c1nnc(C(C)C)o1 83340386 166034358 /nfs/dbraw/zinc/03/43/58/166034358.db2.gz FLUDEFZVUINHFZ-ZETCQYMHSA-N 1 1 179.223 1.216 10 30 ADEEMO C#CC[C@H]([NH3+])c1nnc(C2CCC2)o1 83341658 166034404 /nfs/dbraw/zinc/03/44/04/166034404.db2.gz WBOOVEJDCZLMRX-QMMMGPOBSA-N 1 1 191.234 1.360 10 30 ADEEMO C#CC[C@H]([NH3+])c1nnc([C@H](C)S)o1 83342781 166034476 /nfs/dbraw/zinc/03/44/76/166034476.db2.gz UVOWYBJGDHFDMZ-WDSKDSINSA-N 1 1 197.263 1.084 10 30 ADEEMO C#CC[C@H]([NH3+])c1nnc(C(C)(C)C)o1 83341989 166034884 /nfs/dbraw/zinc/03/48/84/166034884.db2.gz GXDRTIXCXIIZQY-ZETCQYMHSA-N 1 1 193.250 1.390 10 30 ADEEMO C#CC[C@H]([NH3+])c1nnc(C(=C)C)o1 83340308 166035014 /nfs/dbraw/zinc/03/50/14/166035014.db2.gz ZONUCIIVGBMZMK-ZETCQYMHSA-N 1 1 177.207 1.126 10 30 ADEEMO C#CCn1c[nH+]c(-c2cccnc2)c1N 104907650 166035740 /nfs/dbraw/zinc/03/57/40/166035740.db2.gz GFFQVCTVRHBVKY-UHFFFAOYSA-N 1 1 198.229 1.161 10 30 ADEEMO C#CCn1cc[nH+]c1C(C)C 42012019 166035749 /nfs/dbraw/zinc/03/57/49/166035749.db2.gz HVAHKBPHSFRVAC-UHFFFAOYSA-N 1 1 148.209 1.640 10 30 ADEEMO C#C[C@@H]1CC[C@H]2CCC[N@@H+]12 24260849 166036567 /nfs/dbraw/zinc/03/65/67/166036567.db2.gz YNDOCKQZMRIETO-RKDXNWHRSA-N 1 1 135.210 1.246 10 30 ADEEMO C#C[C@@]1(C)CCC[C@H](C)[N@@H+]1C 39048831 166036600 /nfs/dbraw/zinc/03/66/00/166036600.db2.gz AVKPJNQTPJLTES-UWVGGRQHSA-N 1 1 151.253 1.883 10 30 ADEEMO C#C[C@@H]1Cc2ccsc2C(=[NH2+])N1 25979317 166036895 /nfs/dbraw/zinc/03/68/95/166036895.db2.gz ASLZDSGYTVWLOQ-SSDOTTSWSA-N 1 1 176.244 1.011 10 30 ADEEMO C#C[C@@]1(C)CCC[C@@H](C)[N@@H+]1C 39048829 166037131 /nfs/dbraw/zinc/03/71/31/166037131.db2.gz AVKPJNQTPJLTES-ZJUUUORDSA-N 1 1 151.253 1.883 10 30 ADEEMO C#C[C@H](C#CC(=C)C)[NH+](C)C 39079710 166037176 /nfs/dbraw/zinc/03/71/76/166037176.db2.gz QTKIWKQGKQAVEE-SNVBAGLBSA-N 1 1 147.221 1.129 10 30 ADEEMO C#C[C@@]1(C)CCC(C)(C)[N@@H+]1C 39048834 166037770 /nfs/dbraw/zinc/03/77/70/166037770.db2.gz WHJRDSCGZYVZME-JTQLQIEISA-N 1 1 151.253 1.883 10 30 ADEEMO C#C[C@@]12CCCC[N@@H+]1CCC2 1704916 166037897 /nfs/dbraw/zinc/03/78/97/166037897.db2.gz RERWQDMRYSNWEL-JTQLQIEISA-N 1 1 149.237 1.638 10 30 ADEEMO C#C[C@@H]1CC[C@@H]2CCC[N@@H+]12 24260841 166038213 /nfs/dbraw/zinc/03/82/13/166038213.db2.gz YNDOCKQZMRIETO-BDAKNGLRSA-N 1 1 135.210 1.246 10 30 ADEEMO C#C[C@]1(C)CCC(C)(C)[N@@H+]1C 39048833 166038352 /nfs/dbraw/zinc/03/83/52/166038352.db2.gz WHJRDSCGZYVZME-SNVBAGLBSA-N 1 1 151.253 1.883 10 30 ADEEMO C#C[C@H]1CC[C@@H]2CCC[N@H+]21 24260844 166038420 /nfs/dbraw/zinc/03/84/20/166038420.db2.gz YNDOCKQZMRIETO-IUCAKERBSA-N 1 1 135.210 1.246 10 30 ADEEMO C#C[C@H]1Cc2ccsc2C(=[NH2+])N1 25979309 166039273 /nfs/dbraw/zinc/03/92/73/166039273.db2.gz ASLZDSGYTVWLOQ-ZETCQYMHSA-N 1 1 176.244 1.011 10 30 ADEEMO C#C[C@H]1C[N@H+](C)CC[C@@H]1C 39049401 166039275 /nfs/dbraw/zinc/03/92/75/166039275.db2.gz WRVKYVLGOVQVJJ-IUCAKERBSA-N 1 1 137.226 1.207 10 30 ADEEMO C#C[C@H]1CC[C@H]2CCC[N@@H+]12 24260852 166039334 /nfs/dbraw/zinc/03/93/34/166039334.db2.gz YNDOCKQZMRIETO-DTWKUNHWSA-N 1 1 135.210 1.246 10 30 ADEEMO C#C[C@]1(C)CCC[C@@H](C)[N@@H+]1C 39048826 166039656 /nfs/dbraw/zinc/03/96/56/166039656.db2.gz AVKPJNQTPJLTES-NXEZZACHSA-N 1 1 151.253 1.883 10 30 ADEEMO C#C[C@]1(C)CCC[C@H](C)[N@@H+]1C 39048828 166039847 /nfs/dbraw/zinc/03/98/47/166039847.db2.gz AVKPJNQTPJLTES-VHSXEESVSA-N 1 1 151.253 1.883 10 30 ADEEMO C#C[C@H]1C[N@H+](C)CC[C@H]1C 39049400 166039881 /nfs/dbraw/zinc/03/98/81/166039881.db2.gz WRVKYVLGOVQVJJ-BDAKNGLRSA-N 1 1 137.226 1.207 10 30 ADEEMO C#C[C@]12CCCC[N@@H+]1CCC2 5004237 166040854 /nfs/dbraw/zinc/04/08/54/166040854.db2.gz RERWQDMRYSNWEL-SNVBAGLBSA-N 1 1 149.237 1.638 10 30 ADEEMO C#C[C@]1(O)CC[N@H+](C)[C@@H]2CCCC[C@H]21 255969885 166041058 /nfs/dbraw/zinc/04/10/58/166041058.db2.gz DPXYTZVIPKWTFT-UTUOFQBUSA-N 1 1 193.290 1.245 10 30 ADEEMO C#C[C@]1(O)CC[N@H+](C)[C@@H]2CCCC[C@@H]21 255969884 166041427 /nfs/dbraw/zinc/04/14/27/166041427.db2.gz DPXYTZVIPKWTFT-TUAOUCFPSA-N 1 1 193.290 1.245 10 30 ADEEMO C#CC[C@@H]([NH2+]C)c1ncc(C)cn1 132692312 343902430 /nfs/dbraw/zinc/90/24/30/343902430.db2.gz GRBNHUNTUZDZKG-SECBINFHSA-N 1 1 175.235 1.069 10 30 ADEEMO C#Cc1cncc([C@H]2CCC[N@@H+]2C)c1 4632540 166044147 /nfs/dbraw/zinc/04/41/47/166044147.db2.gz NUPUDYKEEJNZRG-GFCCVEGCSA-N 1 1 186.258 1.830 10 30 in-vitro ADEEMO C/C(=[NH+]/C(C)C)[C@H](C)O 39068410 166050826 /nfs/dbraw/zinc/05/08/26/166050826.db2.gz AVDKRFPHYFCYTK-VQKCLUMFSA-N 1 1 129.203 1.237 10 30 ADEEMO C#CC[C@H]([NH2+]C)c1ncc(C)cn1 132692513 343902461 /nfs/dbraw/zinc/90/24/61/343902461.db2.gz GRBNHUNTUZDZKG-VIFPVBQESA-N 1 1 175.235 1.069 10 30 ADEEMO C=C(C)[C@H]([NH3+])c1ncc(C)cn1 132657555 343902471 /nfs/dbraw/zinc/90/24/71/343902471.db2.gz WIXVHEKQYASENU-QMMMGPOBSA-N 1 1 163.224 1.361 10 30 ADEEMO C/C(=[NH+]/C(C)C)[C@@H](C)O 39068408 166052113 /nfs/dbraw/zinc/05/21/13/166052113.db2.gz AVDKRFPHYFCYTK-QHRPWQPMSA-N 1 1 129.203 1.237 10 30 ADEEMO C/C=C/C[N@H+](C)C[C@@H](C)C#N 42324444 166062413 /nfs/dbraw/zinc/06/24/13/166062413.db2.gz HZYNDDHSDJFGHM-MOVJSRMASA-N 1 1 152.241 1.654 10 30 ADEEMO C/C=C/C[N@@H+](C)C[C@@H](C)C#N 42324444 166062416 /nfs/dbraw/zinc/06/24/16/166062416.db2.gz HZYNDDHSDJFGHM-MOVJSRMASA-N 1 1 152.241 1.654 10 30 ADEEMO C/C=C/[C@H]1C[N@H+](C)C[C@@H]1C#N 39095039 166064914 /nfs/dbraw/zinc/06/49/14/166064914.db2.gz DBWAGMHTEOTZAC-FBFNWGNUSA-N 1 1 150.225 1.264 10 30 ADEEMO C/C=C/[C@H]1C[N@@H+](C)C[C@@H]1C#N 39095039 166064915 /nfs/dbraw/zinc/06/49/15/166064915.db2.gz DBWAGMHTEOTZAC-FBFNWGNUSA-N 1 1 150.225 1.264 10 30 ADEEMO C/C=C/c1nnc([C@@H]([NH3+])CS)o1 83341060 166067081 /nfs/dbraw/zinc/06/70/81/166067081.db2.gz ODNWGUTYQDWGBI-HRJJCQLASA-N 1 1 185.252 1.032 10 30 ADEEMO C/C=N\O[C@@H]1CCC[N@@H+](C)C1 39080797 166069780 /nfs/dbraw/zinc/06/97/80/166069780.db2.gz PFMIFILUUXMLTB-MMEMACFNSA-N 1 1 156.229 1.103 10 30 ADEEMO C/[NH+]=C(/C)c1ccncc1 72231239 166070273 /nfs/dbraw/zinc/07/02/73/166070273.db2.gz WCOXUIKORYPTAF-CLFYSBASSA-N 1 1 134.182 1.520 10 30 ADEEMO C/C=N\O[C@H]1CCC[N@@H+](C)C1 39080799 166070752 /nfs/dbraw/zinc/07/07/52/166070752.db2.gz PFMIFILUUXMLTB-CLJBBPMWSA-N 1 1 156.229 1.103 10 30 ADEEMO C/[NH+]=C/c1cc(C)ccc1O 38291084 166070868 /nfs/dbraw/zinc/07/08/68/166070868.db2.gz HYERGRHEJJNGDO-UXBLZVDNSA-N 1 1 149.193 1.749 10 30 ADEEMO C/[NH+]=C/c1ccncc1 32150073 166071147 /nfs/dbraw/zinc/07/11/47/166071147.db2.gz GHJXYELCGKCLEJ-SOFGYWHQSA-N 1 1 120.155 1.130 10 30 ADEEMO C/[NH+]=C\c1ccc(OC)c(OC)c1 109901886 166071170 /nfs/dbraw/zinc/07/11/70/166071170.db2.gz KEXUHJWIXIKGOS-XFFZJAGNSA-N 1 1 179.219 1.753 10 30 ADEEMO C/[NH+]=C\c1ccc2c(c1)OCO2 100386835 166071326 /nfs/dbraw/zinc/07/13/26/166071326.db2.gz VKOWSAAXBQIQFU-YHYXMXQVSA-N 1 1 163.176 1.464 10 30 ADEEMO C/[NH+]=C\c1ccc(O)c(OC)c1 100380476 166071498 /nfs/dbraw/zinc/07/14/98/166071498.db2.gz OKYNVMRFOLPHBU-POHAHGRESA-N 1 1 165.192 1.450 10 30 ADEEMO C/[NH+]=C\c1cccnc1 38522544 166071662 /nfs/dbraw/zinc/07/16/62/166071662.db2.gz UELJJGNOTOPDOB-YVMONPNESA-N 1 1 120.155 1.130 10 30 ADEEMO C/[NH+]=C/c1ccc(O)c(OC)c1 38171533 166072663 /nfs/dbraw/zinc/07/26/63/166072663.db2.gz OKYNVMRFOLPHBU-UXBLZVDNSA-N 1 1 165.192 1.450 10 30 ADEEMO C1=CC[N@H+]2C=C[C@]3(CO3)C2=C1 100230540 166075902 /nfs/dbraw/zinc/07/59/02/166075902.db2.gz BNXVEXWTZRUXLS-VIFPVBQESA-N 1 1 147.177 1.038 10 30 ADEEMO C1=CC[N@@H+]2C=C[C@]3(CO3)C2=C1 100230540 166075904 /nfs/dbraw/zinc/07/59/04/166075904.db2.gz BNXVEXWTZRUXLS-VIFPVBQESA-N 1 1 147.177 1.038 10 30 ADEEMO C1=CC[N@H+]2C=C[C@@]3(CO3)C2=C1 100230538 166075912 /nfs/dbraw/zinc/07/59/12/166075912.db2.gz BNXVEXWTZRUXLS-SECBINFHSA-N 1 1 147.177 1.038 10 30 ADEEMO C1=CC[N@@H+]2C=C[C@@]3(CO3)C2=C1 100230538 166075914 /nfs/dbraw/zinc/07/59/14/166075914.db2.gz BNXVEXWTZRUXLS-SECBINFHSA-N 1 1 147.177 1.038 10 30 ADEEMO C[C@@H]1SCC[N@@H+](C[C@@H]2CO2)[C@H]1C 132335843 343896989 /nfs/dbraw/zinc/89/69/89/343896989.db2.gz NIQMRXBUSOOOCA-XHNCKOQMSA-N 1 1 187.308 1.211 10 30 ADEEMO C1CC[C@@H]2C[N@@H+](C[C@@H]3CO3)CC[C@@H]2C1 36809914 166093918 /nfs/dbraw/zinc/09/39/18/166093918.db2.gz UHFJDGYACZZOAO-QJPTWQEYSA-N 1 1 195.306 1.897 10 30 ADEEMO C=C(C)/C=C/[NH+]1CCOCC1 33845212 166111931 /nfs/dbraw/zinc/11/19/31/166111931.db2.gz YHOKYNBXLJAEAH-ONEGZZNKSA-N 1 1 153.225 1.408 10 30 ADEEMO C=C(C)C(=O)O[C@@H]1CCC[N@H+](C)C1 44709746 166113666 /nfs/dbraw/zinc/11/36/66/166113666.db2.gz BGUHYYCDVDXPEO-SECBINFHSA-N 1 1 183.251 1.200 10 30 ADEEMO C=C(C)C(=O)O[C@H]1CCC[N@H+](C)C1 44709747 166115450 /nfs/dbraw/zinc/11/54/50/166115450.db2.gz BGUHYYCDVDXPEO-VIFPVBQESA-N 1 1 183.251 1.200 10 30 ADEEMO C=C(C)C[N@H+](C)CCCC(=O)OC 50065123 166116346 /nfs/dbraw/zinc/11/63/46/166116346.db2.gz ASJOODZUEDFTHI-UHFFFAOYSA-N 1 1 185.267 1.448 10 30 ADEEMO C=C(C)C[N@@H+](C)C[C@H](C)C#N 42461024 166116484 /nfs/dbraw/zinc/11/64/84/166116484.db2.gz BJLSMONLBVSLCI-SECBINFHSA-N 1 1 152.241 1.654 10 30 ADEEMO C=C(C)C[N@H+](C)C[C@H](C)C#N 42461024 166116489 /nfs/dbraw/zinc/11/64/89/166116489.db2.gz BJLSMONLBVSLCI-SECBINFHSA-N 1 1 152.241 1.654 10 30 ADEEMO C=C(C)C[N@@H+](C)C[C@@H](C)C#N 42461026 166116681 /nfs/dbraw/zinc/11/66/81/166116681.db2.gz BJLSMONLBVSLCI-VIFPVBQESA-N 1 1 152.241 1.654 10 30 ADEEMO C=C(C)C[N@H+](C)C[C@@H](C)C#N 42461026 166116684 /nfs/dbraw/zinc/11/66/84/166116684.db2.gz BJLSMONLBVSLCI-VIFPVBQESA-N 1 1 152.241 1.654 10 30 ADEEMO C=C(C)C[N@H+](C)CCC#N 19834213 166116691 /nfs/dbraw/zinc/11/66/91/166116691.db2.gz PSFWGZYFWDNDON-UHFFFAOYSA-N 1 1 138.214 1.408 10 30 ADEEMO C=C(C)C[N@@H+](C)CCC#N 19834213 166116693 /nfs/dbraw/zinc/11/66/93/166116693.db2.gz PSFWGZYFWDNDON-UHFFFAOYSA-N 1 1 138.214 1.408 10 30 ADEEMO C=C(C)CC[N@H+]1C[C@@H]2CC[C@H](C1)O2 307682408 166116726 /nfs/dbraw/zinc/11/67/26/166116726.db2.gz RNHGRFFSAVZOPU-PHIMTYICSA-N 1 1 181.279 1.816 10 30 ADEEMO C=C(C)CN(C)C1CC[NH2+]CC1 36300570 166116843 /nfs/dbraw/zinc/11/68/43/166116843.db2.gz HBGQFIXVXVKTCR-UHFFFAOYSA-N 1 1 168.284 1.246 10 30 ADEEMO C=C(C)CN(C)C1C[C@@H]2CC[C@H](C1)[NH2+]2 40746921 166117523 /nfs/dbraw/zinc/11/75/23/166117523.db2.gz SFUYPNSVPGKKCQ-FOSCPWQOSA-N 1 1 194.322 1.777 10 30 ADEEMO C=C(C)CC[N@H+]1C[C@H](O)C2(CC2)C1 306492904 166117580 /nfs/dbraw/zinc/11/75/80/166117580.db2.gz QVTWNPYAJDNZAL-JTQLQIEISA-N 1 1 181.279 1.409 10 30 ADEEMO C=C(C)CC[N@H+]1CCNC(=O)C1(C)C 336131199 166117644 /nfs/dbraw/zinc/11/76/44/166117644.db2.gz YUNIELUORWVQAB-UHFFFAOYSA-N 1 1 196.294 1.163 10 30 ADEEMO C=C(C)CC1([NH3+])CCN(C)CC1 19688828 166118039 /nfs/dbraw/zinc/11/80/39/166118039.db2.gz ZKUFKXHLUFBOGI-UHFFFAOYSA-N 1 1 168.284 1.376 10 30 ADEEMO C=C(C)C[N@H+](CC)[C@@H](CN)C(C)C 50280025 166118345 /nfs/dbraw/zinc/11/83/45/166118345.db2.gz CHWFUSDZMQQBSB-NSHDSACASA-N 1 1 184.327 1.868 10 30 ADEEMO C=C(C)CN(CC)[C@@H](C[NH3+])C(C)C 50280025 166118347 /nfs/dbraw/zinc/11/83/47/166118347.db2.gz CHWFUSDZMQQBSB-NSHDSACASA-N 1 1 184.327 1.868 10 30 ADEEMO C=C(C)C[N@H+]1[C@@H](C)C[C@H](O)C[C@H]1C 307310948 166118473 /nfs/dbraw/zinc/11/84/73/166118473.db2.gz BQLZJEWKVJIVRR-JGPRNRPPSA-N 1 1 183.295 1.796 10 30 ADEEMO C=C(C)C[N@@H+]1CC[C@](O)(CC)C1 306509214 166118762 /nfs/dbraw/zinc/11/87/62/166118762.db2.gz BPITWNGHKDQXDQ-SNVBAGLBSA-N 1 1 169.268 1.409 10 30 ADEEMO C=C(C)C[N@H+]1CCC[C@H]1C(=O)OC 50048798 166118950 /nfs/dbraw/zinc/11/89/50/166118950.db2.gz BKWLJWLSCFOMDL-VIFPVBQESA-N 1 1 183.251 1.200 10 30 ADEEMO C=C(C)C[N@@H+]1CCC[C@H]1C(=O)OC 50048798 166118953 /nfs/dbraw/zinc/11/89/53/166118953.db2.gz BKWLJWLSCFOMDL-VIFPVBQESA-N 1 1 183.251 1.200 10 30 ADEEMO C=C(C)C[N@H+]1CCC[C@H](O)C1 49773472 166119019 /nfs/dbraw/zinc/11/90/19/166119019.db2.gz AXPNETXGUQIYGL-VIFPVBQESA-N 1 1 155.241 1.019 10 30 ADEEMO C=C(C)C[N@H+]1CCC[C@@H]1C(C)=O 39072081 166119086 /nfs/dbraw/zinc/11/90/86/166119086.db2.gz GQZUTLXEYLKZIS-SNVBAGLBSA-N 1 1 167.252 1.616 10 30 ADEEMO C=C(C)C[N@H+]1CCC[C@H]1C=O 100210320 166119242 /nfs/dbraw/zinc/11/92/42/166119242.db2.gz HKWXELKFLBIMAV-VIFPVBQESA-N 1 1 153.225 1.226 10 30 ADEEMO C=C(C)C[N@H+]1CCC[C@H]1C(C)=O 39072084 166119272 /nfs/dbraw/zinc/11/92/72/166119272.db2.gz GQZUTLXEYLKZIS-JTQLQIEISA-N 1 1 167.252 1.616 10 30 ADEEMO C=C(C)C[N@H+]1CCCC[C@@H]1C1(O)CC1 335157515 166119709 /nfs/dbraw/zinc/11/97/09/166119709.db2.gz ZNAZAUJVXAECCU-LLVKDONJSA-N 1 1 195.306 1.942 10 30 ADEEMO C=C(C)C[N@H+]1CCC[C@@H](CO)C1 49774034 166119875 /nfs/dbraw/zinc/11/98/75/166119875.db2.gz CHTHERSHIQPWAI-SNVBAGLBSA-N 1 1 169.268 1.267 10 30 ADEEMO C=C(C)C[NH+]1CCC(=O)CC1 19486567 166120000 /nfs/dbraw/zinc/12/00/00/166120000.db2.gz HEXKAMAKLMCHIE-UHFFFAOYSA-N 1 1 153.225 1.227 10 30 ADEEMO C=C(C)C[N@H+]1CCC[C@H]1C(=O)OCC 50064380 166120137 /nfs/dbraw/zinc/12/01/37/166120137.db2.gz NKLDOENOJLXOEJ-JTQLQIEISA-N 1 1 197.278 1.590 10 30 ADEEMO C=C(C)C[N@@H+]1CCC[C@H]1C(=O)OCC 50064380 166120140 /nfs/dbraw/zinc/12/01/40/166120140.db2.gz NKLDOENOJLXOEJ-JTQLQIEISA-N 1 1 197.278 1.590 10 30 ADEEMO C=C(C)C[N@H+]1CCC[C@@H]1C(=O)OC 50048796 166120193 /nfs/dbraw/zinc/12/01/93/166120193.db2.gz BKWLJWLSCFOMDL-SECBINFHSA-N 1 1 183.251 1.200 10 30 ADEEMO C=C(C)C[N@@H+]1CCC[C@@H]1C(=O)OC 50048796 166120197 /nfs/dbraw/zinc/12/01/97/166120197.db2.gz BKWLJWLSCFOMDL-SECBINFHSA-N 1 1 183.251 1.200 10 30 ADEEMO C=C(C)C[N@@H+](CC)[C@@H](C)CN 50280029 166120320 /nfs/dbraw/zinc/12/03/20/166120320.db2.gz ODSMGLVVEWANCE-VIFPVBQESA-N 1 1 156.273 1.232 10 30 ADEEMO C=C(C)C[N@H+](CC)[C@@H](C)CN 50280029 166120322 /nfs/dbraw/zinc/12/03/22/166120322.db2.gz ODSMGLVVEWANCE-VIFPVBQESA-N 1 1 156.273 1.232 10 30 ADEEMO C=C(C)C[N@H+]1CCC[C@@H](O)C1 49773474 166120350 /nfs/dbraw/zinc/12/03/50/166120350.db2.gz AXPNETXGUQIYGL-SECBINFHSA-N 1 1 155.241 1.019 10 30 ADEEMO C=C(C)C[N@H+]1CCCC[C@H]1C1(O)CC1 335157517 166120359 /nfs/dbraw/zinc/12/03/59/166120359.db2.gz ZNAZAUJVXAECCU-NSHDSACASA-N 1 1 195.306 1.942 10 30 ADEEMO C=C(C)C[N@@H+](CCC)CC(=O)OC 50065765 166120389 /nfs/dbraw/zinc/12/03/89/166120389.db2.gz FRPUKHQXNQXDJS-UHFFFAOYSA-N 1 1 185.267 1.448 10 30 ADEEMO C=C(C)C[N@H+](CCC)CC(=O)OC 50065765 166120393 /nfs/dbraw/zinc/12/03/93/166120393.db2.gz FRPUKHQXNQXDJS-UHFFFAOYSA-N 1 1 185.267 1.448 10 30 ADEEMO C=C(C)CN(CC)CCC[NH2+]C 43606474 166120532 /nfs/dbraw/zinc/12/05/32/166120532.db2.gz ZGCAVXQORSFGFK-UHFFFAOYSA-N 1 1 170.300 1.494 10 30 ADEEMO C=C(C)C[N@H+]1C[C@@H]2CC[C@H](C1)O2 335890455 166120564 /nfs/dbraw/zinc/12/05/64/166120564.db2.gz OFGXQVJCROKHHJ-AOOOYVTPSA-N 1 1 167.252 1.426 10 30 ADEEMO C=C(C)C[N@H+]1CCC[C@H](CO)C1 49774033 166120603 /nfs/dbraw/zinc/12/06/03/166120603.db2.gz CHTHERSHIQPWAI-JTQLQIEISA-N 1 1 169.268 1.267 10 30 ADEEMO C=C(C)CN1CCC[C@H](C[NH2+]C)C1 40600073 166120860 /nfs/dbraw/zinc/12/08/60/166120860.db2.gz ANOBHMSIYBQVFS-LLVKDONJSA-N 1 1 182.311 1.494 10 30 ADEEMO C=C(C)C[N@@H+]1CC[C@@](O)(CC)C1 306509213 166120964 /nfs/dbraw/zinc/12/09/64/166120964.db2.gz BPITWNGHKDQXDQ-JTQLQIEISA-N 1 1 169.268 1.409 10 30 ADEEMO C=C(C)CN1CCC[C@@H](C[NH2+]C)C1 40600075 166121138 /nfs/dbraw/zinc/12/11/38/166121138.db2.gz ANOBHMSIYBQVFS-NSHDSACASA-N 1 1 182.311 1.494 10 30 ADEEMO C=C(C)C[N@@H+](CC(=O)OC)C(C)C 50063501 166121204 /nfs/dbraw/zinc/12/12/04/166121204.db2.gz FNROHRDWNAWESX-UHFFFAOYSA-N 1 1 185.267 1.446 10 30 ADEEMO C=C(C)C[N@H+](CC(=O)OC)C(C)C 50063501 166121206 /nfs/dbraw/zinc/12/12/06/166121206.db2.gz FNROHRDWNAWESX-UHFFFAOYSA-N 1 1 185.267 1.446 10 30 ADEEMO C=C(C)C[N@H+](CCO)C(C)C 49825425 166121279 /nfs/dbraw/zinc/12/12/79/166121279.db2.gz CNJIPKIURIFAKN-UHFFFAOYSA-N 1 1 157.257 1.265 10 30 ADEEMO C=C(C)C[N@H+](CC)[C@H](CN)C(C)C 50280027 166121285 /nfs/dbraw/zinc/12/12/85/166121285.db2.gz CHWFUSDZMQQBSB-LLVKDONJSA-N 1 1 184.327 1.868 10 30 ADEEMO C=C(C)CN(CC)[C@H](C[NH3+])C(C)C 50280027 166121286 /nfs/dbraw/zinc/12/12/86/166121286.db2.gz CHWFUSDZMQQBSB-LLVKDONJSA-N 1 1 184.327 1.868 10 30 ADEEMO C=C(C)C[N@H+](CCCO)C(C)C 50105328 166121373 /nfs/dbraw/zinc/12/13/73/166121373.db2.gz OYVZICALJYISQU-UHFFFAOYSA-N 1 1 171.284 1.655 10 30 ADEEMO C=C(C)C[N@@H+](CC)[C@H](C)CN 50280031 166121474 /nfs/dbraw/zinc/12/14/74/166121474.db2.gz ODSMGLVVEWANCE-SECBINFHSA-N 1 1 156.273 1.232 10 30 ADEEMO C=C(C)C[N@H+](CC)[C@H](C)CN 50280031 166121475 /nfs/dbraw/zinc/12/14/75/166121475.db2.gz ODSMGLVVEWANCE-SECBINFHSA-N 1 1 156.273 1.232 10 30 ADEEMO C=C(C)C[NH2+]C[C@H]1CCCN(C)C1 51753567 166121859 /nfs/dbraw/zinc/12/18/59/166121859.db2.gz QQHSGMKGZGLVKR-LLVKDONJSA-N 1 1 182.311 1.494 10 30 ADEEMO C=C(C)C[NH2+][C@H](C)CCN(C)C 51753535 166122066 /nfs/dbraw/zinc/12/20/66/166122066.db2.gz IISRNBZQWHTSQN-SNVBAGLBSA-N 1 1 170.300 1.492 10 30 ADEEMO C=C(C)CN[C@@H](C)C[NH+](CC)CC 51753645 166122282 /nfs/dbraw/zinc/12/22/82/166122282.db2.gz CYJFCKLLWUADRY-NSHDSACASA-N 1 1 184.327 1.882 10 30 ADEEMO C=C(C)CN[C@H](C)C[NH+](CC)CC 51753642 166122365 /nfs/dbraw/zinc/12/23/65/166122365.db2.gz CYJFCKLLWUADRY-LLVKDONJSA-N 1 1 184.327 1.882 10 30 ADEEMO C=C(C)CN[C@H]1CC[N@@H+]2CCCC[C@H]12 51753538 166122400 /nfs/dbraw/zinc/12/24/00/166122400.db2.gz VNZRKZBRNHSLQH-NWDGAFQWSA-N 1 1 194.322 1.779 10 30 ADEEMO C=C(C)CN[C@H]1CC[N@H+]2CCCC[C@H]12 51753538 166122402 /nfs/dbraw/zinc/12/24/02/166122402.db2.gz VNZRKZBRNHSLQH-NWDGAFQWSA-N 1 1 194.322 1.779 10 30 ADEEMO C=C(C)C[NH2+][C@@H](C)CCN(C)C 51753533 166122495 /nfs/dbraw/zinc/12/24/95/166122495.db2.gz IISRNBZQWHTSQN-JTQLQIEISA-N 1 1 170.300 1.492 10 30 ADEEMO C=C(C)CNCCC[NH+](CC)CC 49773655 166122687 /nfs/dbraw/zinc/12/26/87/166122687.db2.gz XOSDRDNKDQMWEJ-UHFFFAOYSA-N 1 1 184.327 1.884 10 30 ADEEMO C=C(C)C[NH2+]C[C@@H]1CCN(C)C1 51753319 166122877 /nfs/dbraw/zinc/12/28/77/166122877.db2.gz ONAPOQWGQFPRJI-JTQLQIEISA-N 1 1 168.284 1.104 10 30 ADEEMO C=C(C)C[NH2+]C[C@@H]1CCCN(C)C1 51753566 166123542 /nfs/dbraw/zinc/12/35/42/166123542.db2.gz QQHSGMKGZGLVKR-NSHDSACASA-N 1 1 182.311 1.494 10 30 ADEEMO C=C(C)C[NH2+]CCCN(C)C 49753077 166123638 /nfs/dbraw/zinc/12/36/38/166123638.db2.gz CYZATINNTNJDJC-UHFFFAOYSA-N 1 1 156.273 1.104 10 30 ADEEMO C=C(C)C[NH2+]CC(C)(C)CN(C)C 49799989 166123695 /nfs/dbraw/zinc/12/36/95/166123695.db2.gz LGLIEZWMVNWHSP-UHFFFAOYSA-N 1 1 184.327 1.740 10 30 ADEEMO C=C(C)CN[C@@H]1CC[N@@H+]2CCCC[C@H]12 51753537 166123754 /nfs/dbraw/zinc/12/37/54/166123754.db2.gz VNZRKZBRNHSLQH-VXGBXAGGSA-N 1 1 194.322 1.779 10 30 ADEEMO C=C(C)CN[C@@H]1CC[N@H+]2CCCC[C@H]12 51753537 166123755 /nfs/dbraw/zinc/12/37/55/166123755.db2.gz VNZRKZBRNHSLQH-VXGBXAGGSA-N 1 1 194.322 1.779 10 30 ADEEMO C=C(C)C[NH2+]C[C@H]1CCN(C)C1 51753320 166123938 /nfs/dbraw/zinc/12/39/38/166123938.db2.gz ONAPOQWGQFPRJI-SNVBAGLBSA-N 1 1 168.284 1.104 10 30 ADEEMO C=C(C)c1nnc([C@@H]2CCCC[NH2+]2)o1 83341956 166131186 /nfs/dbraw/zinc/13/11/86/166131186.db2.gz JDPQNCYPZFAUMN-QMMMGPOBSA-N 1 1 193.250 1.917 10 30 ADEEMO C=C(C)c1nnc([C@@H]([NH3+])CS)o1 83341061 166131316 /nfs/dbraw/zinc/13/13/16/166131316.db2.gz MRYURPAXVWQXBU-YFKPBYRVSA-N 1 1 185.252 1.032 10 30 ADEEMO C=C(C)c1nnc([C@@H]([NH3+])C(C)C)o1 83340610 166131387 /nfs/dbraw/zinc/13/13/87/166131387.db2.gz GAAZZUAYAMBOJC-ZETCQYMHSA-N 1 1 181.239 1.759 10 30 ADEEMO C=C(C)c1nnc([C@H]2CCCC[NH2+]2)o1 83341957 166131423 /nfs/dbraw/zinc/13/14/23/166131423.db2.gz JDPQNCYPZFAUMN-MRVPVSSYSA-N 1 1 193.250 1.917 10 30 ADEEMO C=C(C)c1nnc([C@H]([NH3+])CC)o1 83339866 166131653 /nfs/dbraw/zinc/13/16/53/166131653.db2.gz BGEXCSHPSJUBHL-ZCFIWIBFSA-N 1 1 167.212 1.513 10 30 ADEEMO C=C(C)c1nnc([C@@H]([NH3+])CC)o1 83339865 166132126 /nfs/dbraw/zinc/13/21/26/166132126.db2.gz BGEXCSHPSJUBHL-LURJTMIESA-N 1 1 167.212 1.513 10 30 ADEEMO C=C(C)c1nnc(C2([NH3+])CC2)o1 83339794 166132171 /nfs/dbraw/zinc/13/21/71/166132171.db2.gz HWJKDMJHXRBIJH-UHFFFAOYSA-N 1 1 165.196 1.051 10 30 ADEEMO C=C(C)n1cc[nH+]c1C 39073549 166132266 /nfs/dbraw/zinc/13/22/66/166132266.db2.gz VHMIULXMTVSPCW-UHFFFAOYSA-N 1 1 122.171 1.682 10 30 ADEEMO C=C(C)c1cc[nH+]c(N)c1 72192439 166132952 /nfs/dbraw/zinc/13/29/52/166132952.db2.gz ITEYNMJWUMOVLF-UHFFFAOYSA-N 1 1 134.182 1.697 10 30 ADEEMO C=C(C)c1nnc([C@H](C)[NH3+])o1 83339576 166133381 /nfs/dbraw/zinc/13/33/81/166133381.db2.gz LYDQXMPSFHKFLC-YFKPBYRVSA-N 1 1 153.185 1.122 10 30 ADEEMO C=C(CC)C[N@H+]1CC(=O)N(C)[C@@H](C)C1 334438437 166133895 /nfs/dbraw/zinc/13/38/95/166133895.db2.gz SVSUELZURGUFSV-JTQLQIEISA-N 1 1 196.294 1.115 10 30 ADEEMO C=C(CC)C[N@@H+]1CC(=O)N(C)[C@@H](C)C1 334438437 166133896 /nfs/dbraw/zinc/13/38/96/166133896.db2.gz SVSUELZURGUFSV-JTQLQIEISA-N 1 1 196.294 1.115 10 30 ADEEMO C=C(CC)C[N@H+]1C[C@@H](C)C[C@H](O)C1 307315217 166134179 /nfs/dbraw/zinc/13/41/79/166134179.db2.gz IJAVDJMRCBDZEW-QWRGUYRKSA-N 1 1 183.295 1.655 10 30 ADEEMO C=C(CC)C[N@@H+]1C[C@@H](O)C[C@@H](C)C1 307315216 166134231 /nfs/dbraw/zinc/13/42/31/166134231.db2.gz IJAVDJMRCBDZEW-MNOVXSKESA-N 1 1 183.295 1.655 10 30 ADEEMO C=C(CC)C[N@H+]1C[C@H](C)C[C@@H](O)C1 307315213 166134367 /nfs/dbraw/zinc/13/43/67/166134367.db2.gz IJAVDJMRCBDZEW-GHMZBOCLSA-N 1 1 183.295 1.655 10 30 ADEEMO C=C(CC)C[N@H+]1CC(=O)N(C)[C@H](C)C1 334438438 166134394 /nfs/dbraw/zinc/13/43/94/166134394.db2.gz SVSUELZURGUFSV-SNVBAGLBSA-N 1 1 196.294 1.115 10 30 ADEEMO C=C(CC)C[N@@H+]1CC(=O)N(C)[C@H](C)C1 334438438 166134395 /nfs/dbraw/zinc/13/43/95/166134395.db2.gz SVSUELZURGUFSV-SNVBAGLBSA-N 1 1 196.294 1.115 10 30 ADEEMO C=C(CC)C[N@@H+]1C[C@H]2COC[C@@H](C1)O2 334455925 166134455 /nfs/dbraw/zinc/13/44/55/166134455.db2.gz XGEVQEONOSEPGF-PHIMTYICSA-N 1 1 197.278 1.052 10 30 ADEEMO C=C(Cl)CNC[C@H]1CC[N@H+](C)C1 37681451 166135592 /nfs/dbraw/zinc/13/55/92/166135592.db2.gz OPEVIWYTTGEWHQ-SECBINFHSA-N 1 1 188.702 1.280 10 30 ADEEMO C=C(Cl)C[NH2+]CC(C)(C)N(C)C 49856366 166136654 /nfs/dbraw/zinc/13/66/54/166136654.db2.gz FIEFTMXUMXLXSK-UHFFFAOYSA-N 1 1 190.718 1.669 10 30 ADEEMO C=C(Cl)C[NH2+]C[C@H](C)N(C)C 45107586 166136832 /nfs/dbraw/zinc/13/68/32/166136832.db2.gz HGOZVLYIJCQXHO-QMMMGPOBSA-N 1 1 176.691 1.279 10 30 ADEEMO C=C(Cl)C[N@@H+](C)CCC(=O)OC 50067833 166137098 /nfs/dbraw/zinc/13/70/98/166137098.db2.gz XWZSXFMWILXVJS-UHFFFAOYSA-N 1 1 191.658 1.234 10 30 ADEEMO C=C(Cl)C[N@H+](C)CCC(=O)OC 50067833 166137101 /nfs/dbraw/zinc/13/71/01/166137101.db2.gz XWZSXFMWILXVJS-UHFFFAOYSA-N 1 1 191.658 1.234 10 30 ADEEMO C=C(Cl)C[N@H+](CCCO)C(C)C 50105330 166137420 /nfs/dbraw/zinc/13/74/20/166137420.db2.gz LCBAURJHFJUNLH-UHFFFAOYSA-N 1 1 191.702 1.832 10 30 ADEEMO C=C(Cl)CNCC[NH+]1CCCC1 49900364 166137427 /nfs/dbraw/zinc/13/74/27/166137427.db2.gz KYYLPISUAXICQF-UHFFFAOYSA-N 1 1 188.702 1.424 10 30 ADEEMO C=C(Cl)C[NH2+]C[C@@H](C)N(C)C 45107587 166137935 /nfs/dbraw/zinc/13/79/35/166137935.db2.gz HGOZVLYIJCQXHO-MRVPVSSYSA-N 1 1 176.691 1.279 10 30 ADEEMO C=C(Cl)CNC[C@@H]1CC[N@H+](C)C1 37681453 166137969 /nfs/dbraw/zinc/13/79/69/166137969.db2.gz OPEVIWYTTGEWHQ-VIFPVBQESA-N 1 1 188.702 1.280 10 30 ADEEMO C=C(OCC)[C@H]1[NH2+]CCS1 90696807 166138821 /nfs/dbraw/zinc/13/88/21/166138821.db2.gz RTRRADRSYMLVQT-ZETCQYMHSA-N 1 1 159.254 1.199 10 30 ADEEMO C=C(OCC)[C@@H]1[NH2+]CCS1 90696806 166138968 /nfs/dbraw/zinc/13/89/68/166138968.db2.gz RTRRADRSYMLVQT-SSDOTTSWSA-N 1 1 159.254 1.199 10 30 ADEEMO C=C1C=C(C(C)=O)[C@@H]1[NH+](C)C 39069571 166143985 /nfs/dbraw/zinc/14/39/85/166143985.db2.gz DXTICJSJORDOIE-SECBINFHSA-N 1 1 151.209 1.002 10 30 ADEEMO C=C1C(C)=C(C(C)=O)[C@@H]1[NH+](C)C 39071855 166144247 /nfs/dbraw/zinc/14/42/47/166144247.db2.gz NUZWDKWDLYSNJW-SNVBAGLBSA-N 1 1 165.236 1.392 10 30 ADEEMO C=C1C=C(C(C)=O)[C@H]1[NH+](C)C 39069570 166144613 /nfs/dbraw/zinc/14/46/13/166144613.db2.gz DXTICJSJORDOIE-VIFPVBQESA-N 1 1 151.209 1.002 10 30 ADEEMO C=C1C(C)=C(C(C)=O)[C@H]1[NH+](C)C 39071857 166145185 /nfs/dbraw/zinc/14/51/85/166145185.db2.gz NUZWDKWDLYSNJW-JTQLQIEISA-N 1 1 165.236 1.392 10 30 ADEEMO C=C1CC[C@H](C)[N@H+](C)C1 34411874 166145732 /nfs/dbraw/zinc/14/57/32/166145732.db2.gz MRYLHLGOPYYFSH-QMMMGPOBSA-N 1 1 125.215 1.657 10 30 ADEEMO C=C1CC[N@@H+](C)[C@@H](C)C1 34411876 166145773 /nfs/dbraw/zinc/14/57/73/166145773.db2.gz VBGLNUVRKRHTQW-QMMMGPOBSA-N 1 1 125.215 1.657 10 30 ADEEMO C=C1CCC[N@H+](CC)C1 39073867 166145860 /nfs/dbraw/zinc/14/58/60/166145860.db2.gz HASMQYHVFRFLSG-UHFFFAOYSA-N 1 1 125.215 1.658 10 30 ADEEMO C=C1CC[N@H+](C)C[C@H]1C 72231452 166146058 /nfs/dbraw/zinc/14/60/58/166146058.db2.gz KPZYUYBOQZLCJZ-MRVPVSSYSA-N 1 1 125.215 1.514 10 30 ADEEMO C=C1CCC[N@H+]2CCC[C@H]12 39078292 166146975 /nfs/dbraw/zinc/14/69/75/166146975.db2.gz ZJFAQSASGFTQBC-SECBINFHSA-N 1 1 137.226 1.801 10 30 ADEEMO C=C1CCC[N@H+]2CCC[C@@H]12 39078293 166147336 /nfs/dbraw/zinc/14/73/36/166147336.db2.gz ZJFAQSASGFTQBC-VIFPVBQESA-N 1 1 137.226 1.801 10 30 ADEEMO C=C1CC[C@@H](C)[N@H+](C)C1 34411873 166147402 /nfs/dbraw/zinc/14/74/02/166147402.db2.gz MRYLHLGOPYYFSH-MRVPVSSYSA-N 1 1 125.215 1.657 10 30 ADEEMO C=C1CC[N@@H+](C)[C@H](C)C1 34411875 166147626 /nfs/dbraw/zinc/14/76/26/166147626.db2.gz VBGLNUVRKRHTQW-MRVPVSSYSA-N 1 1 125.215 1.657 10 30 ADEEMO C=C1CC[N@H+](C)C[C@@H]1C 72231453 166147777 /nfs/dbraw/zinc/14/77/77/166147777.db2.gz KPZYUYBOQZLCJZ-QMMMGPOBSA-N 1 1 125.215 1.514 10 30 ADEEMO C=C1C[C@@H]2CC[C@H](C1)[N@H+]2C 5967167 166148483 /nfs/dbraw/zinc/14/84/83/166148483.db2.gz VTTHRNBDRMKNKB-DTORHVGOSA-N 1 1 137.226 1.799 10 30 ADEEMO C=C1C[C@@H](C(=O)OCC)CC[N@H+]1C 100429079 166148507 /nfs/dbraw/zinc/14/85/07/166148507.db2.gz BRPFAFBFEONOKQ-VIFPVBQESA-N 1 1 183.251 1.405 10 30 ADEEMO C=C1C[C@H]2CCC[N@H+]2C1 36419821 166148632 /nfs/dbraw/zinc/14/86/32/166148632.db2.gz QOHFDMLBZHYOKJ-MRVPVSSYSA-N 1 1 123.199 1.411 10 30 ADEEMO C=C1C[C@H](C(=O)OCC)CC[N@H+]1C 100429078 166148814 /nfs/dbraw/zinc/14/88/14/166148814.db2.gz BRPFAFBFEONOKQ-SECBINFHSA-N 1 1 183.251 1.405 10 30 ADEEMO C=C1C[C@@H]2CCC[N@H+]2C1 36419820 166148876 /nfs/dbraw/zinc/14/88/76/166148876.db2.gz QOHFDMLBZHYOKJ-QMMMGPOBSA-N 1 1 123.199 1.411 10 30 ADEEMO C=CC/C=C/[NH+]1CCOCC1 138047470 166160802 /nfs/dbraw/zinc/16/08/02/166160802.db2.gz LSFFKQLEBWCFKJ-SNAWJCMRSA-N 1 1 153.225 1.408 10 30 ADEEMO C=CCCN1C[C@@H](C)[NH2+][C@H](C)C1 70593342 166166286 /nfs/dbraw/zinc/16/62/86/166166286.db2.gz FFYIBBVJRGKDRH-NXEZZACHSA-N 1 1 168.284 1.245 10 30 ADEEMO C=CCC[N@@H+]1C[C@H](C)N[C@H](C)C1 70593340 166166779 /nfs/dbraw/zinc/16/67/79/166166779.db2.gz FFYIBBVJRGKDRH-AOOOYVTPSA-N 1 1 168.284 1.245 10 30 ADEEMO C=CCCN1C[C@H](C)[NH2+][C@H](C)C1 70593340 166166781 /nfs/dbraw/zinc/16/67/81/166166781.db2.gz FFYIBBVJRGKDRH-AOOOYVTPSA-N 1 1 168.284 1.245 10 30 ADEEMO C=CCCN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C 218968584 166166908 /nfs/dbraw/zinc/16/69/08/166166908.db2.gz GRRMIPIJJAGWSU-RYUDHWBXSA-N 1 1 194.322 1.731 10 30 ADEEMO C=CCCN1C[C@H](C)[NH2+][C@@H](C)C1 70593341 166167054 /nfs/dbraw/zinc/16/70/54/166167054.db2.gz FFYIBBVJRGKDRH-UWVGGRQHSA-N 1 1 168.284 1.245 10 30 ADEEMO C=CCC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 335889970 166167205 /nfs/dbraw/zinc/16/72/05/166167205.db2.gz FPLORRNWMRPCQF-LBPRGKRZSA-N 1 1 194.322 1.590 10 30 ADEEMO C=CCC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 335889970 166167209 /nfs/dbraw/zinc/16/72/09/166167209.db2.gz FPLORRNWMRPCQF-LBPRGKRZSA-N 1 1 194.322 1.590 10 30 ADEEMO C=CCC[N@H+]1CC[C@]2(CCN(C)C2)C1 335889970 166167211 /nfs/dbraw/zinc/16/72/11/166167211.db2.gz FPLORRNWMRPCQF-LBPRGKRZSA-N 1 1 194.322 1.590 10 30 ADEEMO C=CCC[N@@H+]1CC[C@]2(CCN(C)C2)C1 335889970 166167215 /nfs/dbraw/zinc/16/72/15/166167215.db2.gz FPLORRNWMRPCQF-LBPRGKRZSA-N 1 1 194.322 1.590 10 30 ADEEMO C=CCC[N@H+]1CCOCC2(CC2)C1 307682919 166167265 /nfs/dbraw/zinc/16/72/65/166167265.db2.gz SMPJDXHVAOLIMO-UHFFFAOYSA-N 1 1 181.279 1.675 10 30 ADEEMO C=CCC[N@@H+]1CC[C@](C)(F)C1 306150302 166167532 /nfs/dbraw/zinc/16/75/32/166167532.db2.gz CMJJAHJCYOKRBZ-VIFPVBQESA-N 1 1 157.232 1.996 10 30 ADEEMO C=CCC[N@@H+]1CC[C@@](C)(F)C1 306150297 166167801 /nfs/dbraw/zinc/16/78/01/166167801.db2.gz CMJJAHJCYOKRBZ-SECBINFHSA-N 1 1 157.232 1.996 10 30 ADEEMO C=CCC[N@H+]1CCC[C@H]1C=O 100048471 166168077 /nfs/dbraw/zinc/16/80/77/166168077.db2.gz DJQFPPRAYVOEMV-VIFPVBQESA-N 1 1 153.225 1.226 10 30 ADEEMO C=CCC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 335889969 166168224 /nfs/dbraw/zinc/16/82/24/166168224.db2.gz FPLORRNWMRPCQF-GFCCVEGCSA-N 1 1 194.322 1.590 10 30 ADEEMO C=CCC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 335889969 166168227 /nfs/dbraw/zinc/16/82/27/166168227.db2.gz FPLORRNWMRPCQF-GFCCVEGCSA-N 1 1 194.322 1.590 10 30 ADEEMO C=CCC[N@H+]1CC[C@@]2(CCN(C)C2)C1 335889969 166168230 /nfs/dbraw/zinc/16/82/30/166168230.db2.gz FPLORRNWMRPCQF-GFCCVEGCSA-N 1 1 194.322 1.590 10 30 ADEEMO C=CCC[N@@H+]1CC[C@@]2(CCN(C)C2)C1 335889969 166168233 /nfs/dbraw/zinc/16/82/33/166168233.db2.gz FPLORRNWMRPCQF-GFCCVEGCSA-N 1 1 194.322 1.590 10 30 ADEEMO C=CCCOC[NH+](C)C 36466102 166168413 /nfs/dbraw/zinc/16/84/13/166168413.db2.gz HDAKOXQQAVAKQE-UHFFFAOYSA-N 1 1 129.203 1.098 10 30 ADEEMO C=CCC[C@H]([NH3+])C(=O)OC(C)(C)C 38416310 166170263 /nfs/dbraw/zinc/17/02/63/166170263.db2.gz KHHHFYCGHZETQY-QMMMGPOBSA-N 1 1 185.267 1.622 10 30 ADEEMO C=CCN(CC)C1CC[NH2+]CC1 37653830 166171421 /nfs/dbraw/zinc/17/14/21/166171421.db2.gz GABYTZHPECNSPP-UHFFFAOYSA-N 1 1 168.284 1.246 10 30 ADEEMO C=CCN(C)C1C[C@@H]2CC[C@H](C1)[N@@H+]2C 335944278 166171916 /nfs/dbraw/zinc/17/19/16/166171916.db2.gz ANCHLCGNYJVVAW-FOSCPWQOSA-N 1 1 194.322 1.729 10 30 ADEEMO C=CCN(C)C1C[C@@H]2CC[C@H](C1)[N@H+]2C 335944278 166171918 /nfs/dbraw/zinc/17/19/18/166171918.db2.gz ANCHLCGNYJVVAW-FOSCPWQOSA-N 1 1 194.322 1.729 10 30 ADEEMO C=CC[N@@H+](C)C[C@H](C)C#N 42324269 166172006 /nfs/dbraw/zinc/17/20/06/166172006.db2.gz QFWZYAHSATZNOI-MRVPVSSYSA-N 1 1 138.214 1.264 10 30 ADEEMO C=CC[N@H+](C)C[C@H](C)C#N 42324269 166172007 /nfs/dbraw/zinc/17/20/07/166172007.db2.gz QFWZYAHSATZNOI-MRVPVSSYSA-N 1 1 138.214 1.264 10 30 ADEEMO C=CCN(C)[C@H]1CCC[NH2+]CC1 231670000 166172207 /nfs/dbraw/zinc/17/22/07/166172207.db2.gz AJCLUSJVPOLZFG-JTQLQIEISA-N 1 1 168.284 1.246 10 30 ADEEMO C=CC[N@@H+](C)[C@@H](C)CC#N 49804439 166172217 /nfs/dbraw/zinc/17/22/17/166172217.db2.gz OYYPXQHLCVKXHZ-QMMMGPOBSA-N 1 1 138.214 1.406 10 30 ADEEMO C=CC[N@H+](C)[C@@H](C)CC#N 49804439 166172220 /nfs/dbraw/zinc/17/22/20/166172220.db2.gz OYYPXQHLCVKXHZ-QMMMGPOBSA-N 1 1 138.214 1.406 10 30 ADEEMO C=CC[N@H+](C)CCC(=O)OCC 50067276 166172259 /nfs/dbraw/zinc/17/22/59/166172259.db2.gz CUWCMJUFPTWVHB-UHFFFAOYSA-N 1 1 171.240 1.057 10 30 ADEEMO C=CCN(CC)C1C[C@@H]2CC[C@H](C1)[NH2+]2 40748192 166172363 /nfs/dbraw/zinc/17/23/63/166172363.db2.gz OLBXRYNCAQRVRQ-FOSCPWQOSA-N 1 1 194.322 1.777 10 30 ADEEMO C=CCN(C)C1C[C@@H]2CC[C@H](C1)[NH2+]2 40746892 166172382 /nfs/dbraw/zinc/17/23/82/166172382.db2.gz GIFSSOGMLOCMDA-ZACCUICWSA-N 1 1 180.295 1.387 10 30 ADEEMO C=CC[N@H+](C)CCCC(=O)OC 50065126 166172747 /nfs/dbraw/zinc/17/27/47/166172747.db2.gz DNAGTFAYMGKPFR-UHFFFAOYSA-N 1 1 171.240 1.057 10 30 ADEEMO C=CCN(C)[C@@H]1CCC[NH2+]CC1 231669996 166172918 /nfs/dbraw/zinc/17/29/18/166172918.db2.gz AJCLUSJVPOLZFG-SNVBAGLBSA-N 1 1 168.284 1.246 10 30 ADEEMO C=CC[N@H+](CC)CCC#N 39078393 166173208 /nfs/dbraw/zinc/17/32/08/166173208.db2.gz MWPOLFCWPWQZDY-UHFFFAOYSA-N 1 1 138.214 1.408 10 30 ADEEMO C=CC[N@@H+](CC)CCC#N 39078393 166173213 /nfs/dbraw/zinc/17/32/13/166173213.db2.gz MWPOLFCWPWQZDY-UHFFFAOYSA-N 1 1 138.214 1.408 10 30 ADEEMO C=CC[N@@H+](CC)CCC(=O)OC 50053779 166173410 /nfs/dbraw/zinc/17/34/10/166173410.db2.gz GJXCWDJUUCJQBS-UHFFFAOYSA-N 1 1 171.240 1.057 10 30 ADEEMO C=CCN(CC=C)CC(C)(C)C[NH3+] 51216320 166173531 /nfs/dbraw/zinc/17/35/31/166173531.db2.gz UUFBKRSBUKCAHE-UHFFFAOYSA-N 1 1 182.311 1.645 10 30 ADEEMO C=CCN(CC=C)C[C@@H](C)C[NH3+] 11804696 166173701 /nfs/dbraw/zinc/17/37/01/166173701.db2.gz PQAXGECTKGYDHG-JTQLQIEISA-N 1 1 168.284 1.255 10 30 ADEEMO C=CCN(C)c1[nH+]cccc1N 77261476 166173748 /nfs/dbraw/zinc/17/37/48/166173748.db2.gz RWZRRGTYMYZKKL-UHFFFAOYSA-N 1 1 163.224 1.286 10 30 ADEEMO C=CCN(C)c1ccc(N)c[nH+]1 77261478 166173755 /nfs/dbraw/zinc/17/37/55/166173755.db2.gz JXLTVMZOVJXSQR-UHFFFAOYSA-N 1 1 163.224 1.286 10 30 ADEEMO C=CC[N@@H+](C)[C@H](C)CC#N 49804440 166173880 /nfs/dbraw/zinc/17/38/80/166173880.db2.gz OYYPXQHLCVKXHZ-MRVPVSSYSA-N 1 1 138.214 1.406 10 30 ADEEMO C=CC[N@H+](C)[C@H](C)CC#N 49804440 166173882 /nfs/dbraw/zinc/17/38/82/166173882.db2.gz OYYPXQHLCVKXHZ-MRVPVSSYSA-N 1 1 138.214 1.406 10 30 ADEEMO C=CC[N@@H+](C)C[C@@H](C)C#N 42324272 166174522 /nfs/dbraw/zinc/17/45/22/166174522.db2.gz QFWZYAHSATZNOI-QMMMGPOBSA-N 1 1 138.214 1.264 10 30 ADEEMO C=CC[N@H+](C)C[C@@H](C)C#N 42324272 166174524 /nfs/dbraw/zinc/17/45/24/166174524.db2.gz QFWZYAHSATZNOI-QMMMGPOBSA-N 1 1 138.214 1.264 10 30 ADEEMO C=CC[N@@H+]1CCCC[C@@]1(C)CO 307687109 166175029 /nfs/dbraw/zinc/17/50/29/166175029.db2.gz DLGLSOIBNBGENT-JTQLQIEISA-N 1 1 169.268 1.409 10 30 ADEEMO C=CC[N@@H+]1CCCC[C@H]1CC(=O)OC 48739157 166175077 /nfs/dbraw/zinc/17/50/77/166175077.db2.gz FWEGANSFHPAFLU-JTQLQIEISA-N 1 1 197.278 1.590 10 30 ADEEMO C=CC[N@@H+]1CCC(=O)[C@H](C)C1 49693756 166175375 /nfs/dbraw/zinc/17/53/75/166175375.db2.gz DZYUIBYJQPIXKS-MRVPVSSYSA-N 1 1 153.225 1.083 10 30 ADEEMO C=CC[N@H+]1CCC(=O)[C@H](C)C1 49693756 166175377 /nfs/dbraw/zinc/17/53/77/166175377.db2.gz DZYUIBYJQPIXKS-MRVPVSSYSA-N 1 1 153.225 1.083 10 30 ADEEMO C=CC[N@@H+]1CCCC[C@H]1[C@@H](C)O 306509219 166175415 /nfs/dbraw/zinc/17/54/15/166175415.db2.gz BPPBHNRQYWWYDX-ZJUUUORDSA-N 1 1 169.268 1.408 10 30 ADEEMO C=CCN(CC=C)C[C@H](C)C[NH3+] 11804697 166175457 /nfs/dbraw/zinc/17/54/57/166175457.db2.gz PQAXGECTKGYDHG-SNVBAGLBSA-N 1 1 168.284 1.255 10 30 ADEEMO C=CC[N@H+]1CCC(=O)[C@@H](C)[C@H]1C 5611491 166175502 /nfs/dbraw/zinc/17/55/02/166175502.db2.gz AFLPPRKFMLLKAT-DTWKUNHWSA-N 1 1 167.252 1.472 10 30 ADEEMO C=CC[N@@H+]1CCC(=O)[C@@H](C)[C@H]1C 5611491 166175504 /nfs/dbraw/zinc/17/55/04/166175504.db2.gz AFLPPRKFMLLKAT-DTWKUNHWSA-N 1 1 167.252 1.472 10 30 ADEEMO C=CC[N@@H+]1CCCC[C@@H]1CO 49750822 166175829 /nfs/dbraw/zinc/17/58/29/166175829.db2.gz GFXLWUXGRFNNEA-SECBINFHSA-N 1 1 155.241 1.019 10 30 ADEEMO C=CC[N@@H+](CCN)CCCC 52144930 166175853 /nfs/dbraw/zinc/17/58/53/166175853.db2.gz FMPAZOKONXJURN-UHFFFAOYSA-N 1 1 156.273 1.233 10 30 ADEEMO C=CC[N@H+](CCN)CCCC 52144930 166175854 /nfs/dbraw/zinc/17/58/54/166175854.db2.gz FMPAZOKONXJURN-UHFFFAOYSA-N 1 1 156.273 1.233 10 30 ADEEMO C=CCN1C(=O)[C@H]([NH3+])c2ccccc21 19795644 166175864 /nfs/dbraw/zinc/17/58/64/166175864.db2.gz YFQDKPYNQCVSRW-SNVBAGLBSA-N 1 1 188.230 1.219 10 30 ADEEMO C=CC[N@@H+]1CCCC[C@H]1[C@H](C)O 306509217 166175876 /nfs/dbraw/zinc/17/58/76/166175876.db2.gz BPPBHNRQYWWYDX-UWVGGRQHSA-N 1 1 169.268 1.408 10 30 ADEEMO C=CCN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 37917829 166175961 /nfs/dbraw/zinc/17/59/61/166175961.db2.gz UNDYCLPPNWQROQ-NEPJUHHUSA-N 1 1 194.322 1.636 10 30 ADEEMO C=CC[N@@H+]1CCCC[C@H]1C(C)=O 82651660 166176045 /nfs/dbraw/zinc/17/60/45/166176045.db2.gz RAQBNRPEFDUQSK-JTQLQIEISA-N 1 1 167.252 1.616 10 30 ADEEMO C=CC[N@H+]1CCC(=O)[C@H](C)[C@@H]1C 2511846 166176231 /nfs/dbraw/zinc/17/62/31/166176231.db2.gz AFLPPRKFMLLKAT-BDAKNGLRSA-N 1 1 167.252 1.472 10 30 ADEEMO C=CC[N@@H+]1CCC(=O)[C@H](C)[C@@H]1C 2511846 166176232 /nfs/dbraw/zinc/17/62/32/166176232.db2.gz AFLPPRKFMLLKAT-BDAKNGLRSA-N 1 1 167.252 1.472 10 30 ADEEMO C=CC[N@@H+]1CCCC[C@@H]1[C@@H](C)O 306509216 166176297 /nfs/dbraw/zinc/17/62/97/166176297.db2.gz BPPBHNRQYWWYDX-NXEZZACHSA-N 1 1 169.268 1.408 10 30 ADEEMO C=CCN1C(=O)[C@@H]([NH3+])c2ccccc21 100236620 166176370 /nfs/dbraw/zinc/17/63/70/166176370.db2.gz YFQDKPYNQCVSRW-JTQLQIEISA-N 1 1 188.230 1.219 10 30 ADEEMO C=CC[N@@H+]1C=CC=CC1 39073514 166176441 /nfs/dbraw/zinc/17/64/41/166176441.db2.gz WVZXESAAWZSAEA-UHFFFAOYSA-N 1 1 121.183 1.558 10 30 ADEEMO C=CC[N@H+]1CCC[C@@H](C=O)C1 54219182 166176522 /nfs/dbraw/zinc/17/65/22/166176522.db2.gz JKFOQGSPMDGCEP-SECBINFHSA-N 1 1 153.225 1.083 10 30 ADEEMO C=CC[N@H+]1CCCC1=C 100050662 166176539 /nfs/dbraw/zinc/17/65/39/166176539.db2.gz RORBREJAJBEKRG-UHFFFAOYSA-N 1 1 123.199 1.782 10 30 ADEEMO C=CC[N@@H+](CCN)CC(C)C 52144933 166176632 /nfs/dbraw/zinc/17/66/32/166176632.db2.gz NCTYJSQHWTUYSM-UHFFFAOYSA-N 1 1 156.273 1.089 10 30 ADEEMO C=CC[N@H+](CCN)CC(C)C 52144933 166176636 /nfs/dbraw/zinc/17/66/36/166176636.db2.gz NCTYJSQHWTUYSM-UHFFFAOYSA-N 1 1 156.273 1.089 10 30 ADEEMO C=CC[N@H+]1CC(C)(C)NC[C@@H]1C 41168202 166176729 /nfs/dbraw/zinc/17/67/29/166176729.db2.gz DEJVEXVGNLVTQB-VIFPVBQESA-N 1 1 168.284 1.245 10 30 ADEEMO C=CC[N@@H+]1CC(C)(C)NC[C@@H]1C 41168202 166176735 /nfs/dbraw/zinc/17/67/35/166176735.db2.gz DEJVEXVGNLVTQB-VIFPVBQESA-N 1 1 168.284 1.245 10 30 ADEEMO C=CC[N@@H+]1CCCC[C@@H]1CC(=O)OC 48739159 166176770 /nfs/dbraw/zinc/17/67/70/166176770.db2.gz FWEGANSFHPAFLU-SNVBAGLBSA-N 1 1 197.278 1.590 10 30 ADEEMO C=CCN1CCC[C@@H](C[NH2+]C)C1 40600084 166177063 /nfs/dbraw/zinc/17/70/63/166177063.db2.gz DKYYVBXZDAFYGF-JTQLQIEISA-N 1 1 168.284 1.104 10 30 ADEEMO C=CC[N@@H+]1CCCC[C@@H]1C(C)=O 82651661 166177089 /nfs/dbraw/zinc/17/70/89/166177089.db2.gz RAQBNRPEFDUQSK-SNVBAGLBSA-N 1 1 167.252 1.616 10 30 ADEEMO C=CC[N@@H+]1CCCC[C@]1(C)CO 307687112 166177096 /nfs/dbraw/zinc/17/70/96/166177096.db2.gz DLGLSOIBNBGENT-SNVBAGLBSA-N 1 1 169.268 1.409 10 30 ADEEMO C=CC[N@H+](CCO)C(CC)CC 50107105 166177138 /nfs/dbraw/zinc/17/71/38/166177138.db2.gz BGKYBBHCXTWRIZ-UHFFFAOYSA-N 1 1 171.284 1.655 10 30 ADEEMO C=CC[N@H+]1CCC(=O)C[C@@H]1C 49712820 166177148 /nfs/dbraw/zinc/17/71/48/166177148.db2.gz CCSPECBUMLBWNG-QMMMGPOBSA-N 1 1 153.225 1.226 10 30 ADEEMO C=CC[N@@H+]1CCC(=O)C[C@@H]1C 49712820 166177150 /nfs/dbraw/zinc/17/71/50/166177150.db2.gz CCSPECBUMLBWNG-QMMMGPOBSA-N 1 1 153.225 1.226 10 30 ADEEMO C=CC[N@@H+]1CCC(=O)[C@@H](C)C1 49693757 166177190 /nfs/dbraw/zinc/17/71/90/166177190.db2.gz DZYUIBYJQPIXKS-QMMMGPOBSA-N 1 1 153.225 1.083 10 30 ADEEMO C=CC[N@H+]1CCC(=O)[C@@H](C)C1 49693757 166177191 /nfs/dbraw/zinc/17/71/91/166177191.db2.gz DZYUIBYJQPIXKS-QMMMGPOBSA-N 1 1 153.225 1.083 10 30 ADEEMO C=CC[N@@H+](CCN)C1CCCC1 52144924 166177204 /nfs/dbraw/zinc/17/72/04/166177204.db2.gz ZFKAXPJANJFJMR-UHFFFAOYSA-N 1 1 168.284 1.376 10 30 ADEEMO C=CC[N@H+](CCN)C1CCCC1 52144924 166177207 /nfs/dbraw/zinc/17/72/07/166177207.db2.gz ZFKAXPJANJFJMR-UHFFFAOYSA-N 1 1 168.284 1.376 10 30 ADEEMO C=CC[N@@H+]1CCCC[C@H]1CO 49750825 166177258 /nfs/dbraw/zinc/17/72/58/166177258.db2.gz GFXLWUXGRFNNEA-VIFPVBQESA-N 1 1 155.241 1.019 10 30 ADEEMO C=CC[N@H+]1CC=CC(=C)C1 39078176 166177337 /nfs/dbraw/zinc/17/73/37/166177337.db2.gz WWBVNCQAHLSEKG-UHFFFAOYSA-N 1 1 135.210 1.600 10 30 ADEEMO C=CC[NH+]1CC(C)(C)NC(C)(C)C1 39779854 166177504 /nfs/dbraw/zinc/17/75/04/166177504.db2.gz AWKCIOHYSJJVCN-UHFFFAOYSA-N 1 1 182.311 1.635 10 30 ADEEMO C=CC[N@@H+]1CC=C(CC#N)CC1 39081674 166177569 /nfs/dbraw/zinc/17/75/69/166177569.db2.gz BFEWGTXTWSGPCA-UHFFFAOYSA-N 1 1 162.236 1.718 10 30 ADEEMO C=CC[N@H+]1CCC(=O)[C@H](C)[C@H]1C 19798262 166177629 /nfs/dbraw/zinc/17/76/29/166177629.db2.gz AFLPPRKFMLLKAT-RKDXNWHRSA-N 1 1 167.252 1.472 10 30 ADEEMO C=CC[N@@H+]1CCC(=O)[C@H](C)[C@H]1C 19798262 166177633 /nfs/dbraw/zinc/17/76/33/166177633.db2.gz AFLPPRKFMLLKAT-RKDXNWHRSA-N 1 1 167.252 1.472 10 30 ADEEMO C=CC[N@@H+]1CCCC[C@@H]1[C@H](C)O 306509218 166177653 /nfs/dbraw/zinc/17/76/53/166177653.db2.gz BPPBHNRQYWWYDX-VHSXEESVSA-N 1 1 169.268 1.408 10 30 ADEEMO C=CC[N@H+]1CCC(=O)C[C@H]1C 49712819 166177856 /nfs/dbraw/zinc/17/78/56/166177856.db2.gz CCSPECBUMLBWNG-MRVPVSSYSA-N 1 1 153.225 1.226 10 30 ADEEMO C=CC[N@@H+]1CCC(=O)C[C@H]1C 49712819 166177860 /nfs/dbraw/zinc/17/78/60/166177860.db2.gz CCSPECBUMLBWNG-MRVPVSSYSA-N 1 1 153.225 1.226 10 30 ADEEMO C=CC[N@@H+]1CC=CCC1 33867699 166177878 /nfs/dbraw/zinc/17/78/78/166177878.db2.gz ODYVZNSBHFPSPA-UHFFFAOYSA-N 1 1 123.199 1.434 10 30 ADEEMO C=CC[N@H+]1CC(C)(C)NC[C@H]1C 41168201 166178025 /nfs/dbraw/zinc/17/80/25/166178025.db2.gz DEJVEXVGNLVTQB-SECBINFHSA-N 1 1 168.284 1.245 10 30 ADEEMO C=CC[N@@H+]1CC(C)(C)NC[C@H]1C 41168201 166178028 /nfs/dbraw/zinc/17/80/28/166178028.db2.gz DEJVEXVGNLVTQB-SECBINFHSA-N 1 1 168.284 1.245 10 30 ADEEMO C=CC[N@@H+]1C[C@H](C)O[C@]2(CCOC2)C1 336481561 166178254 /nfs/dbraw/zinc/17/82/54/166178254.db2.gz FXQPVGDBJNMNSZ-WDEREUQCSA-N 1 1 197.278 1.052 10 30 ADEEMO C=CC[N@H+]1C[C@@H](C)NC[C@H]1CC 68697298 166178283 /nfs/dbraw/zinc/17/82/83/166178283.db2.gz OLXQAHZAWQYAFU-NXEZZACHSA-N 1 1 168.284 1.245 10 30 ADEEMO C=CC[N@@H+]1C[C@@H](C)NC[C@H]1CC 68697298 166178284 /nfs/dbraw/zinc/17/82/84/166178284.db2.gz OLXQAHZAWQYAFU-NXEZZACHSA-N 1 1 168.284 1.245 10 30 ADEEMO C=CC[N@H+]1CC[C@@H](C)[C@@H](OC)C1 307299601 166178369 /nfs/dbraw/zinc/17/83/69/166178369.db2.gz RLBBDOZVNOBEHK-ZJUUUORDSA-N 1 1 169.268 1.529 10 30 ADEEMO C=CC[N@H+]1C[C@H](CC)NC[C@@H]1CC 82936532 166178385 /nfs/dbraw/zinc/17/83/85/166178385.db2.gz JQPBKHDLKFKLBR-QWRGUYRKSA-N 1 1 182.311 1.635 10 30 ADEEMO C=CC[N@@H+]1C[C@H](CC)NC[C@@H]1CC 82936532 166178387 /nfs/dbraw/zinc/17/83/87/166178387.db2.gz JQPBKHDLKFKLBR-QWRGUYRKSA-N 1 1 182.311 1.635 10 30 ADEEMO C=CC[N@H+]1C[C@@H](C)[C@@H](N(C)C)C1 307309074 166178410 /nfs/dbraw/zinc/17/84/10/166178410.db2.gz ASVKYIYAXZOFPG-ZJUUUORDSA-N 1 1 168.284 1.054 10 30 ADEEMO C=CC[N@@H+]1C[C@@H](C)[C@@H](N(C)C)C1 307309074 166178412 /nfs/dbraw/zinc/17/84/12/166178412.db2.gz ASVKYIYAXZOFPG-ZJUUUORDSA-N 1 1 168.284 1.054 10 30 ADEEMO C=CC[N@@H+]1CCc2ccc(N)cc2C1 32008099 166178424 /nfs/dbraw/zinc/17/84/24/166178424.db2.gz XXPBXDLGEVKARQ-UHFFFAOYSA-N 1 1 188.274 1.813 10 30 ADEEMO C=CC[N@H+]1CC[C@H](C)[C@H](OC)C1 307299598 166178446 /nfs/dbraw/zinc/17/84/46/166178446.db2.gz RLBBDOZVNOBEHK-VHSXEESVSA-N 1 1 169.268 1.529 10 30 ADEEMO C=CC[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 336481559 166178451 /nfs/dbraw/zinc/17/84/51/166178451.db2.gz FXQPVGDBJNMNSZ-MNOVXSKESA-N 1 1 197.278 1.052 10 30 ADEEMO C=CCN1CCC[C@H](C[NH2+]C)C1 40600086 166178615 /nfs/dbraw/zinc/17/86/15/166178615.db2.gz DKYYVBXZDAFYGF-SNVBAGLBSA-N 1 1 168.284 1.104 10 30 ADEEMO C=CC[N@H+]1CCOCC2(CC2)C1 306235645 166178624 /nfs/dbraw/zinc/17/86/24/166178624.db2.gz GWGKZAFNUXWCBU-UHFFFAOYSA-N 1 1 167.252 1.285 10 30 ADEEMO C=CC[N@H+]1C[C@H](C)[C@H](N(C)C)C1 307309073 166178677 /nfs/dbraw/zinc/17/86/77/166178677.db2.gz ASVKYIYAXZOFPG-VHSXEESVSA-N 1 1 168.284 1.054 10 30 ADEEMO C=CC[N@@H+]1C[C@H](C)[C@H](N(C)C)C1 307309073 166178679 /nfs/dbraw/zinc/17/86/79/166178679.db2.gz ASVKYIYAXZOFPG-VHSXEESVSA-N 1 1 168.284 1.054 10 30 ADEEMO C=CC[N@@H+]1C[C@H](C)O[C@@]2(CCOC2)C1 336481560 166178711 /nfs/dbraw/zinc/17/87/11/166178711.db2.gz FXQPVGDBJNMNSZ-QWRGUYRKSA-N 1 1 197.278 1.052 10 30 ADEEMO C=CC[N@H+]1C[C@@H](C)NC[C@H]1C(C)C 82935133 166178829 /nfs/dbraw/zinc/17/88/29/166178829.db2.gz XXLMCTAHAJJJPI-MNOVXSKESA-N 1 1 182.311 1.491 10 30 ADEEMO C=CC[N@@H+]1C[C@@H](C)NC[C@H]1C(C)C 82935133 166178832 /nfs/dbraw/zinc/17/88/32/166178832.db2.gz XXLMCTAHAJJJPI-MNOVXSKESA-N 1 1 182.311 1.491 10 30 ADEEMO C=CC[N@@H+]1CCc2c(N)cccc2C1 38032836 166178877 /nfs/dbraw/zinc/17/88/77/166178877.db2.gz ZNJQRFLTFMOQCP-UHFFFAOYSA-N 1 1 188.274 1.813 10 30 ADEEMO C=CC[N@H+]1C[C@H](CC)NC[C@H]1C(C)C 82936666 166178978 /nfs/dbraw/zinc/17/89/78/166178978.db2.gz ZDYYYVDIILFRSH-RYUDHWBXSA-N 1 1 196.338 1.881 10 30 ADEEMO C=CC[N@@H+]1C[C@H](CC)NC[C@H]1C(C)C 82936666 166178980 /nfs/dbraw/zinc/17/89/80/166178980.db2.gz ZDYYYVDIILFRSH-RYUDHWBXSA-N 1 1 196.338 1.881 10 30 ADEEMO C=CCN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 37917828 166179021 /nfs/dbraw/zinc/17/90/21/166179021.db2.gz UNDYCLPPNWQROQ-RYUDHWBXSA-N 1 1 194.322 1.636 10 30 ADEEMO C=CC[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 336481558 166179049 /nfs/dbraw/zinc/17/90/49/166179049.db2.gz FXQPVGDBJNMNSZ-GHMZBOCLSA-N 1 1 197.278 1.052 10 30 ADEEMO C=CC[N@@H+]1CC[C@@H](O)C[C@@H]1C 39080651 166179099 /nfs/dbraw/zinc/17/90/99/166179099.db2.gz RJWSBPXVNZUALI-DTWKUNHWSA-N 1 1 155.241 1.018 10 30 ADEEMO C=CC[N@H+]1C[C@@H](C(C)C)NC[C@H]1CC 82926655 166179185 /nfs/dbraw/zinc/17/91/85/166179185.db2.gz YKQIZULXYGTNBY-NEPJUHHUSA-N 1 1 196.338 1.881 10 30 ADEEMO C=CC[N@@H+]1C[C@@H](C(C)C)NC[C@H]1CC 82926655 166179187 /nfs/dbraw/zinc/17/91/87/166179187.db2.gz YKQIZULXYGTNBY-NEPJUHHUSA-N 1 1 196.338 1.881 10 30 ADEEMO C=CC[N@H+]1C[C@H](C)NC[C@@H]1CC 68697302 166179200 /nfs/dbraw/zinc/17/92/00/166179200.db2.gz OLXQAHZAWQYAFU-UWVGGRQHSA-N 1 1 168.284 1.245 10 30 ADEEMO C=CC[N@@H+]1C[C@H](C)NC[C@@H]1CC 68697302 166179201 /nfs/dbraw/zinc/17/92/01/166179201.db2.gz OLXQAHZAWQYAFU-UWVGGRQHSA-N 1 1 168.284 1.245 10 30 ADEEMO C=CC[N@H+]1CC[C@H](C)[C@@H](OC)C1 307299596 166179205 /nfs/dbraw/zinc/17/92/05/166179205.db2.gz RLBBDOZVNOBEHK-UWVGGRQHSA-N 1 1 169.268 1.529 10 30 ADEEMO C=CC[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 227379794 166179231 /nfs/dbraw/zinc/17/92/31/166179231.db2.gz NLXNZVBRXUTFKZ-RYUDHWBXSA-N 1 1 195.306 1.799 10 30 ADEEMO C=CC[N@H+]1CCc2cc(O)ccc2C1 39618637 166179247 /nfs/dbraw/zinc/17/92/47/166179247.db2.gz PGKDBTOBTDGGGX-UHFFFAOYSA-N 1 1 189.258 1.936 10 30 ADEEMO C=CCN1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C 227361382 166179312 /nfs/dbraw/zinc/17/93/12/166179312.db2.gz XKRXNJDRJNWVMG-RYUDHWBXSA-N 1 1 194.322 1.731 10 30 ADEEMO C=CC[N@H+]1C[C@@H]2CCCCN2C[C@@H]1C 227361382 166179315 /nfs/dbraw/zinc/17/93/15/166179315.db2.gz XKRXNJDRJNWVMG-RYUDHWBXSA-N 1 1 194.322 1.731 10 30 ADEEMO C=CC[N@@H+]1C[C@@H]2CCCCN2C[C@@H]1C 227361382 166179318 /nfs/dbraw/zinc/17/93/18/166179318.db2.gz XKRXNJDRJNWVMG-RYUDHWBXSA-N 1 1 194.322 1.731 10 30 ADEEMO C=CC[N@H+]1C[C@@H](CC)NC[C@@H]1CC 82936530 166179394 /nfs/dbraw/zinc/17/93/94/166179394.db2.gz JQPBKHDLKFKLBR-MNOVXSKESA-N 1 1 182.311 1.635 10 30 ADEEMO C=CC[N@@H+]1C[C@@H](CC)NC[C@@H]1CC 82936530 166179395 /nfs/dbraw/zinc/17/93/95/166179395.db2.gz JQPBKHDLKFKLBR-MNOVXSKESA-N 1 1 182.311 1.635 10 30 ADEEMO C=CC[N@H+]1C[C@H](C)NC[C@H]1CC 68697301 166179419 /nfs/dbraw/zinc/17/94/19/166179419.db2.gz OLXQAHZAWQYAFU-VHSXEESVSA-N 1 1 168.284 1.245 10 30 ADEEMO C=CC[N@@H+]1C[C@H](C)NC[C@H]1CC 68697301 166179420 /nfs/dbraw/zinc/17/94/20/166179420.db2.gz OLXQAHZAWQYAFU-VHSXEESVSA-N 1 1 168.284 1.245 10 30 ADEEMO C=CC[N@H+]1C[C@@H]2CC[C@H](C1)O2 39080412 166179423 /nfs/dbraw/zinc/17/94/23/166179423.db2.gz OJLZKPNVLDCWIJ-DTORHVGOSA-N 1 1 153.225 1.036 10 30 ADEEMO C=CC[N@H+]1CC[C@@H](C)[C@H](OC)C1 307299594 166179427 /nfs/dbraw/zinc/17/94/27/166179427.db2.gz RLBBDOZVNOBEHK-NXEZZACHSA-N 1 1 169.268 1.529 10 30 ADEEMO C=CC[N@H+]1C[C@H](C)NC[C@H]1C(C)C 82935134 166179728 /nfs/dbraw/zinc/17/97/28/166179728.db2.gz XXLMCTAHAJJJPI-QWRGUYRKSA-N 1 1 182.311 1.491 10 30 ADEEMO C=CC[N@@H+]1C[C@H](C)NC[C@H]1C(C)C 82935134 166179730 /nfs/dbraw/zinc/17/97/30/166179730.db2.gz XXLMCTAHAJJJPI-QWRGUYRKSA-N 1 1 182.311 1.491 10 30 ADEEMO C=CC[N@H+]1Cc2cccc(N)c2C1 58010707 166179746 /nfs/dbraw/zinc/17/97/46/166179746.db2.gz ZAPVTVMFJBMTRB-UHFFFAOYSA-N 1 1 174.247 1.770 10 30 ADEEMO C=CC[N@@H+]1CC[C@H](O)C[C@H]1C 39080653 166179881 /nfs/dbraw/zinc/17/98/81/166179881.db2.gz RJWSBPXVNZUALI-BDAKNGLRSA-N 1 1 155.241 1.018 10 30 ADEEMO C=CC[N@H+]1C[C@@H]2C=C[C@@H]21 39073516 166179889 /nfs/dbraw/zinc/17/98/89/166179889.db2.gz XCJKZFDFIMQLOA-YUMQZZPRSA-N 1 1 121.183 1.043 10 30 ADEEMO C=CC[N@H+]1C[C@H](C(C)C)NC[C@@H]1CC 82926660 166179981 /nfs/dbraw/zinc/17/99/81/166179981.db2.gz YKQIZULXYGTNBY-NWDGAFQWSA-N 1 1 196.338 1.881 10 30 ADEEMO C=CC[N@@H+]1C[C@H](C(C)C)NC[C@@H]1CC 82926660 166179982 /nfs/dbraw/zinc/17/99/82/166179982.db2.gz YKQIZULXYGTNBY-NWDGAFQWSA-N 1 1 196.338 1.881 10 30 ADEEMO C=CC[N@H+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1 72236209 166180148 /nfs/dbraw/zinc/18/01/48/166180148.db2.gz YIZHEOSIIXUGSV-USZNOCQGSA-N 1 1 175.275 1.926 10 30 ADEEMO C=CCN1[C@H]2CC[C@@H]1CC([NH2+]CC)C2 54628231 166180194 /nfs/dbraw/zinc/18/01/94/166180194.db2.gz DZUNZSOETGRSAN-YOGCLGLASA-N 1 1 194.322 1.777 10 30 ADEEMO C=CC[N@H+]1CC[C@]2(O)CCCC[C@H]2C1 227379784 166180247 /nfs/dbraw/zinc/18/02/47/166180247.db2.gz NLXNZVBRXUTFKZ-NWDGAFQWSA-N 1 1 195.306 1.799 10 30 ADEEMO C=CC[N@H+]1CCn2cccc2C1 33380050 166180392 /nfs/dbraw/zinc/18/03/92/166180392.db2.gz BRWFMOPNZFIMRC-UHFFFAOYSA-N 1 1 162.236 1.490 10 30 ADEEMO C=CC[N@H+]1C[C@@H](CC)NC[C@H]1C(C)C 82936665 166180459 /nfs/dbraw/zinc/18/04/59/166180459.db2.gz ZDYYYVDIILFRSH-NEPJUHHUSA-N 1 1 196.338 1.881 10 30 ADEEMO C=CC[N@@H+]1C[C@@H](CC)NC[C@H]1C(C)C 82936665 166180461 /nfs/dbraw/zinc/18/04/61/166180461.db2.gz ZDYYYVDIILFRSH-NEPJUHHUSA-N 1 1 196.338 1.881 10 30 ADEEMO C=CC[N@H+]1CCC[C@H]1C(=O)OCC 50064386 166180531 /nfs/dbraw/zinc/18/05/31/166180531.db2.gz WGWUZJFZEKZFKQ-VIFPVBQESA-N 1 1 183.251 1.200 10 30 ADEEMO C=CC[N@@H+]1CCC[C@H]1C(=O)OCC 50064386 166180532 /nfs/dbraw/zinc/18/05/32/166180532.db2.gz WGWUZJFZEKZFKQ-VIFPVBQESA-N 1 1 183.251 1.200 10 30 ADEEMO C=CC[N@@H+]1CC[C@@H](O)C[C@H]1C 39080649 166180540 /nfs/dbraw/zinc/18/05/40/166180540.db2.gz RJWSBPXVNZUALI-RKDXNWHRSA-N 1 1 155.241 1.018 10 30 ADEEMO C=CC[N@H+]1CCC[C@H](C=O)C1 54219180 166180581 /nfs/dbraw/zinc/18/05/81/166180581.db2.gz JKFOQGSPMDGCEP-VIFPVBQESA-N 1 1 153.225 1.083 10 30 ADEEMO C=CCN1C[C@@H]2CCC[N@@H+]2C[C@@H]1CC 227417736 166180588 /nfs/dbraw/zinc/18/05/88/166180588.db2.gz CEINUVICOVJODE-RYUDHWBXSA-N 1 1 194.322 1.731 10 30 ADEEMO C=CC[N@H+]1C[C@H](CC)NC[C@H]1CC 82936531 166180597 /nfs/dbraw/zinc/18/05/97/166180597.db2.gz JQPBKHDLKFKLBR-WDEREUQCSA-N 1 1 182.311 1.635 10 30 ADEEMO C=CC[N@@H+]1C[C@H](CC)NC[C@H]1CC 82936531 166180598 /nfs/dbraw/zinc/18/05/98/166180598.db2.gz JQPBKHDLKFKLBR-WDEREUQCSA-N 1 1 182.311 1.635 10 30 ADEEMO C=CC[N@@H+]1Cc2ccc(N)cc2C1 72236222 166180719 /nfs/dbraw/zinc/18/07/19/166180719.db2.gz DWTJGSOSDRKOCC-UHFFFAOYSA-N 1 1 174.247 1.770 10 30 ADEEMO C=CC[N@H+]1C[C@H](C)[C@@H](N(C)C)C1 307309072 166180824 /nfs/dbraw/zinc/18/08/24/166180824.db2.gz ASVKYIYAXZOFPG-UWVGGRQHSA-N 1 1 168.284 1.054 10 30 ADEEMO C=CC[N@@H+]1C[C@H](C)[C@@H](N(C)C)C1 307309072 166180826 /nfs/dbraw/zinc/18/08/26/166180826.db2.gz ASVKYIYAXZOFPG-UWVGGRQHSA-N 1 1 168.284 1.054 10 30 ADEEMO C=CC[N@H+]1C[C@@H](C)NC[C@@H]1CC 68697299 166180869 /nfs/dbraw/zinc/18/08/69/166180869.db2.gz OLXQAHZAWQYAFU-ZJUUUORDSA-N 1 1 168.284 1.245 10 30 ADEEMO C=CC[N@@H+]1C[C@@H](C)NC[C@@H]1CC 68697299 166180872 /nfs/dbraw/zinc/18/08/72/166180872.db2.gz OLXQAHZAWQYAFU-ZJUUUORDSA-N 1 1 168.284 1.245 10 30 ADEEMO C=CC[N@@H+]1C[C@@H](N(C)C)[C@H](C)C1 307309071 166180879 /nfs/dbraw/zinc/18/08/79/166180879.db2.gz ASVKYIYAXZOFPG-NXEZZACHSA-N 1 1 168.284 1.054 10 30 ADEEMO C=CC[N@H+]1C[C@@H](N(C)C)[C@H](C)C1 307309071 166180882 /nfs/dbraw/zinc/18/08/82/166180882.db2.gz ASVKYIYAXZOFPG-NXEZZACHSA-N 1 1 168.284 1.054 10 30 ADEEMO C=CC[N@@H+]1CCc2sc(N)cc2C1 39123416 166181010 /nfs/dbraw/zinc/18/10/10/166181010.db2.gz CRYDCNZTXJHSRE-UHFFFAOYSA-N 1 1 194.303 1.874 10 30 ADEEMO C=CC[N@H+]1C[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1 72236208 166181129 /nfs/dbraw/zinc/18/11/29/166181129.db2.gz YIZHEOSIIXUGSV-BKUVIOGVSA-N 1 1 175.275 1.926 10 30 ADEEMO C=CC[N@H+]1C[C@H](C(C)C)NC[C@H]1CC 82926658 166181135 /nfs/dbraw/zinc/18/11/35/166181135.db2.gz YKQIZULXYGTNBY-VXGBXAGGSA-N 1 1 196.338 1.881 10 30 ADEEMO C=CC[N@@H+]1C[C@H](C(C)C)NC[C@H]1CC 82926658 166181137 /nfs/dbraw/zinc/18/11/37/166181137.db2.gz YKQIZULXYGTNBY-VXGBXAGGSA-N 1 1 196.338 1.881 10 30 ADEEMO C=CC[N@H+]1C[C@@H](CC)NC[C@H]1CC 82936529 166181252 /nfs/dbraw/zinc/18/12/52/166181252.db2.gz JQPBKHDLKFKLBR-GHMZBOCLSA-N 1 1 182.311 1.635 10 30 ADEEMO C=CC[N@@H+]1C[C@@H](CC)NC[C@H]1CC 82936529 166181253 /nfs/dbraw/zinc/18/12/53/166181253.db2.gz JQPBKHDLKFKLBR-GHMZBOCLSA-N 1 1 182.311 1.635 10 30 ADEEMO C=CCN1[C@H]2CC[C@@H]1CC([NH2+]C)C2 54628230 166181283 /nfs/dbraw/zinc/18/12/83/166181283.db2.gz OHACMEZVMCIVKZ-FGWVZKOKSA-N 1 1 180.295 1.387 10 30 ADEEMO C=CC[N@H+]1C[C@@H](C(C)C)NC[C@@H]1CC 82926657 166181303 /nfs/dbraw/zinc/18/13/03/166181303.db2.gz YKQIZULXYGTNBY-RYUDHWBXSA-N 1 1 196.338 1.881 10 30 ADEEMO C=CC[N@@H+]1C[C@@H](C(C)C)NC[C@@H]1CC 82926657 166181307 /nfs/dbraw/zinc/18/13/07/166181307.db2.gz YKQIZULXYGTNBY-RYUDHWBXSA-N 1 1 196.338 1.881 10 30 ADEEMO C=CC[N@H+]1C[C@@H]2C[C@H]3C=C[C@]32C1 39081567 166181497 /nfs/dbraw/zinc/18/14/97/166181497.db2.gz HWMWYRWHEOCQSK-VWYCJHECSA-N 1 1 161.248 1.680 10 30 ADEEMO C=CC[NH2+]C1CCN(CCC)CC1 19875749 166184531 /nfs/dbraw/zinc/18/45/31/166184531.db2.gz ATQYGJBDZTYAFZ-UHFFFAOYSA-N 1 1 182.311 1.636 10 30 ADEEMO C=CC[NH2+]C1CCN(CC)CC1 19875745 166184585 /nfs/dbraw/zinc/18/45/85/166184585.db2.gz IRTYNOVNQZXBGX-UHFFFAOYSA-N 1 1 168.284 1.246 10 30 ADEEMO C=CC[NH2+]C1CCN(C(C)C)CC1 19875743 166184611 /nfs/dbraw/zinc/18/46/11/166184611.db2.gz LTCYHTFWJXWABZ-UHFFFAOYSA-N 1 1 182.311 1.635 10 30 ADEEMO C=CC[NH2+]C1C[C@@H]2CC[C@H](C1)[N@H+]2C 20523781 166185513 /nfs/dbraw/zinc/18/55/13/166185513.db2.gz KXJUQRLDLWSNKA-FGWVZKOKSA-N 1 1 180.295 1.387 10 30 ADEEMO C=CC[NH2+]C[C@H]1CCCN(C)C1 50522273 166186565 /nfs/dbraw/zinc/18/65/65/166186565.db2.gz JQXKCSIGDNSAQJ-SNVBAGLBSA-N 1 1 168.284 1.104 10 30 ADEEMO C=CCNCC[C@H]1CCCC[N@H+]1C 49754156 166186653 /nfs/dbraw/zinc/18/66/53/166186653.db2.gz VUWAOYPTAMHDEN-LLVKDONJSA-N 1 1 182.311 1.636 10 30 ADEEMO C=CCNCC[C@H]1CCCC[N@@H+]1C 49754156 166186658 /nfs/dbraw/zinc/18/66/58/166186658.db2.gz VUWAOYPTAMHDEN-LLVKDONJSA-N 1 1 182.311 1.636 10 30 ADEEMO C=CC[NH2+]CC(C)(C)CN(C)C 49799987 166186722 /nfs/dbraw/zinc/18/67/22/166186722.db2.gz LQWKHMBUYQGOPE-UHFFFAOYSA-N 1 1 170.300 1.350 10 30 ADEEMO C=CCNCC[C@@H]1CCCC[N@H+]1C 49754157 166186837 /nfs/dbraw/zinc/18/68/37/166186837.db2.gz VUWAOYPTAMHDEN-NSHDSACASA-N 1 1 182.311 1.636 10 30 ADEEMO C=CCNCC[C@@H]1CCCC[N@@H+]1C 49754157 166186838 /nfs/dbraw/zinc/18/68/38/166186838.db2.gz VUWAOYPTAMHDEN-NSHDSACASA-N 1 1 182.311 1.636 10 30 ADEEMO C=CC[NH2+]CC(=O)c1ccc(F)cc1 34844602 166187407 /nfs/dbraw/zinc/18/74/07/166187407.db2.gz IMFQCIUEEWOWBK-UHFFFAOYSA-N 1 1 193.221 1.784 10 30 ADEEMO C=CCNCCC[NH+](CC)CC 41168364 166187655 /nfs/dbraw/zinc/18/76/55/166187655.db2.gz TWEMDHGHYMAPSV-UHFFFAOYSA-N 1 1 170.300 1.494 10 30 ADEEMO C=CCNCCC[NH+]1CCCCC1 41202207 166187929 /nfs/dbraw/zinc/18/79/29/166187929.db2.gz OPNOEPAEZCXYKW-UHFFFAOYSA-N 1 1 182.311 1.638 10 30 ADEEMO C=CCNCC[NH+]1CCCCCC1 41202201 166187933 /nfs/dbraw/zinc/18/79/33/166187933.db2.gz DZMFRHIAXGXURF-UHFFFAOYSA-N 1 1 182.311 1.638 10 30 ADEEMO C=CC[NH2+]Cc1cccc(F)c1O 83340547 166187953 /nfs/dbraw/zinc/18/79/53/166187953.db2.gz QJVQIDREZNYANE-UHFFFAOYSA-N 1 1 181.210 1.807 10 30 ADEEMO C=CC[NH2+]CC(=O)c1ccc(C)cc1 41611638 166187987 /nfs/dbraw/zinc/18/79/87/166187987.db2.gz RYSCUHGZKHYQQI-UHFFFAOYSA-N 1 1 189.258 1.953 10 30 ADEEMO C=CC[NH2+]Cc1cc(C)on1 49754160 166188110 /nfs/dbraw/zinc/18/81/10/166188110.db2.gz GFRGRALIWMUICR-UHFFFAOYSA-N 1 1 152.197 1.259 10 30 ADEEMO C=CC[NH2+]C[C@@H]1CCCN(C)C1 50522275 166188117 /nfs/dbraw/zinc/18/81/17/166188117.db2.gz JQXKCSIGDNSAQJ-JTQLQIEISA-N 1 1 168.284 1.104 10 30 ADEEMO C=CC[NH2+]CC(=O)c1ccccc1 34255206 166188149 /nfs/dbraw/zinc/18/81/49/166188149.db2.gz SEPVLIVEZCINQR-UHFFFAOYSA-N 1 1 175.231 1.645 10 30 ADEEMO C=CCNCC[NH+](CC)CC 20033545 166188171 /nfs/dbraw/zinc/18/81/71/166188171.db2.gz XVESLVDXPJWWLL-UHFFFAOYSA-N 1 1 156.273 1.104 10 30 ADEEMO C=CC[NH2+]CC(=O)c1cccs1 41613624 166188227 /nfs/dbraw/zinc/18/82/27/166188227.db2.gz KKFHRLJBSMZJJJ-UHFFFAOYSA-N 1 1 181.260 1.706 10 30 ADEEMO C=CC[NH2+]CCN(C(C)C)C(C)C 49801760 166188812 /nfs/dbraw/zinc/18/88/12/166188812.db2.gz MUCYMXFKORRVKB-UHFFFAOYSA-N 1 1 184.327 1.881 10 30 ADEEMO C=CCN[C@@H]1CC[N@@H+](C(C)C)C1 45649872 166189108 /nfs/dbraw/zinc/18/91/08/166189108.db2.gz QYOYLSDOMIRCFP-SNVBAGLBSA-N 1 1 168.284 1.245 10 30 ADEEMO C=CCN[C@@H]1CC[N@H+](C(C)C)C1 45649872 166189110 /nfs/dbraw/zinc/18/91/10/166189110.db2.gz QYOYLSDOMIRCFP-SNVBAGLBSA-N 1 1 168.284 1.245 10 30 ADEEMO C=CC[NH2+]Cc1cccnc1C#N 61656764 166189127 /nfs/dbraw/zinc/18/91/27/166189127.db2.gz SISQLDNZKASMSL-UHFFFAOYSA-N 1 1 173.219 1.229 10 30 ADEEMO C=CC[NH2+][C@@H](C)[C@@H]1CCCN(C)C1 37208528 166189298 /nfs/dbraw/zinc/18/92/98/166189298.db2.gz KISHUORMOLMAKF-WDEREUQCSA-N 1 1 182.311 1.492 10 30 ADEEMO C=CC[NH2+]Cc1cscn1 40420190 166189753 /nfs/dbraw/zinc/18/97/53/166189753.db2.gz BLWSFWDFYAPZMY-UHFFFAOYSA-N 1 1 154.238 1.419 10 30 ADEEMO C=CC[NH2+]Cc1csc(C)n1 20252781 166189808 /nfs/dbraw/zinc/18/98/08/166189808.db2.gz TYWGOFNSGHPZQA-UHFFFAOYSA-N 1 1 168.265 1.727 10 30 ADEEMO C=CC[NH2+]Cc1csc(N)n1 82529186 166189831 /nfs/dbraw/zinc/18/98/31/166189831.db2.gz LGGURSLHGJKDCP-UHFFFAOYSA-N 1 1 169.253 1.001 10 30 ADEEMO C=CCN[C@@H]1CC[N@H+]2CCCC[C@H]12 50522216 166189843 /nfs/dbraw/zinc/18/98/43/166189843.db2.gz LYGFHJSWDGTASW-GHMZBOCLSA-N 1 1 180.295 1.389 10 30 ADEEMO C=CC[NH2+][C@@H]1CCN2CCCC[C@H]12 50522216 166189847 /nfs/dbraw/zinc/18/98/47/166189847.db2.gz LYGFHJSWDGTASW-GHMZBOCLSA-N 1 1 180.295 1.389 10 30 ADEEMO C=CCN[C@@H](C)C[NH+](CC)CC 50522387 166190945 /nfs/dbraw/zinc/19/09/45/166190945.db2.gz FPGZWTHFDSQIHJ-JTQLQIEISA-N 1 1 170.300 1.492 10 30 ADEEMO C=CC[NH2+]Cc1nccn1C(F)F 36804869 166191046 /nfs/dbraw/zinc/19/10/46/166191046.db2.gz GOUQTVVODWQWHB-UHFFFAOYSA-N 1 1 187.193 1.554 10 30 ADEEMO C=CC[NH2+]Cc1nccs1 49804602 166191111 /nfs/dbraw/zinc/19/11/11/166191111.db2.gz BVAXQKQSALUDPD-UHFFFAOYSA-N 1 1 154.238 1.419 10 30 ADEEMO C=CC[NH2+][C@@H](C)[C@H]1CCCN(C)C1 37208530 166191202 /nfs/dbraw/zinc/19/12/02/166191202.db2.gz KISHUORMOLMAKF-QWRGUYRKSA-N 1 1 182.311 1.492 10 30 ADEEMO C=CC[NH2+]Cc1nc(C)c(C)o1 37909157 166191252 /nfs/dbraw/zinc/19/12/52/166191252.db2.gz LNJBLIJSBZUIFM-UHFFFAOYSA-N 1 1 166.224 1.567 10 30 ADEEMO C=CC[NH2+]Cc1ccoc1C(=O)OC 35054699 166191270 /nfs/dbraw/zinc/19/12/70/166191270.db2.gz AUQWGCQBGKMOTD-UHFFFAOYSA-N 1 1 195.218 1.342 10 30 ADEEMO C=CC[NH2+][C@H](C)[C@H]1CCCN(C)C1 37208531 166192328 /nfs/dbraw/zinc/19/23/28/166192328.db2.gz KISHUORMOLMAKF-MNOVXSKESA-N 1 1 182.311 1.492 10 30 ADEEMO C=CC[NH2+][C@H](C)[C@@H]1CCCN(C)C1 37208529 166192693 /nfs/dbraw/zinc/19/26/93/166192693.db2.gz KISHUORMOLMAKF-GHMZBOCLSA-N 1 1 182.311 1.492 10 30 ADEEMO C=CCNc1ccc(C)c[nH+]1 39050369 166192885 /nfs/dbraw/zinc/19/28/85/166192885.db2.gz SJJNASXOYLVZGG-UHFFFAOYSA-N 1 1 148.209 1.988 10 30 ADEEMO C=CCN[C@H](C)C[NH+](CC)CC 50522385 166192923 /nfs/dbraw/zinc/19/29/23/166192923.db2.gz FPGZWTHFDSQIHJ-SNVBAGLBSA-N 1 1 170.300 1.492 10 30 ADEEMO C=CCN[C@H]1CC[N@H+]2CCCC[C@H]12 50522218 166193072 /nfs/dbraw/zinc/19/30/72/166193072.db2.gz LYGFHJSWDGTASW-WDEREUQCSA-N 1 1 180.295 1.389 10 30 ADEEMO C=CC[NH2+][C@H]1CCN2CCCC[C@H]12 50522218 166193075 /nfs/dbraw/zinc/19/30/75/166193075.db2.gz LYGFHJSWDGTASW-WDEREUQCSA-N 1 1 180.295 1.389 10 30 ADEEMO C=CCNc1ccc(N)c[nH+]1 19961570 166193077 /nfs/dbraw/zinc/19/30/77/166193077.db2.gz YEJMYVSWZSQTKX-UHFFFAOYSA-N 1 1 149.197 1.262 10 30 ADEEMO C=CCNc1ccc(N)[nH+]c1 19952975 166193406 /nfs/dbraw/zinc/19/34/06/166193406.db2.gz IIVGFYPLNUVFNB-UHFFFAOYSA-N 1 1 149.197 1.262 10 30 ADEEMO C=CCN[C@H]1CC[N@@H+](C(C)C)C1 45649871 166193460 /nfs/dbraw/zinc/19/34/60/166193460.db2.gz QYOYLSDOMIRCFP-JTQLQIEISA-N 1 1 168.284 1.245 10 30 ADEEMO C=CCN[C@H]1CC[N@H+](C(C)C)C1 45649871 166193464 /nfs/dbraw/zinc/19/34/64/166193464.db2.gz QYOYLSDOMIRCFP-JTQLQIEISA-N 1 1 168.284 1.245 10 30 ADEEMO C=CCNc1[nH+]cccc1C 39050695 166194679 /nfs/dbraw/zinc/19/46/79/166194679.db2.gz PVCRMJJDZKUNLJ-UHFFFAOYSA-N 1 1 148.209 1.988 10 30 ADEEMO C=CCNc1nc[nH+]c(NCC)c1N 40707202 166194821 /nfs/dbraw/zinc/19/48/21/166194821.db2.gz XGOSWYGANCBSKO-UHFFFAOYSA-N 1 1 193.254 1.089 10 30 ADEEMO C=CCNc1[nH+]cnc(NCC)c1N 40707202 166194823 /nfs/dbraw/zinc/19/48/23/166194823.db2.gz XGOSWYGANCBSKO-UHFFFAOYSA-N 1 1 193.254 1.089 10 30 ADEEMO C=CCNc1cccc(C)[nH+]1 38222662 166194986 /nfs/dbraw/zinc/19/49/86/166194986.db2.gz WMCWAOGSYXJOJR-UHFFFAOYSA-N 1 1 148.209 1.988 10 30 ADEEMO C=CCOC(=O)[C@H]1CCC[N@H+](C)C1 3603513 166196209 /nfs/dbraw/zinc/19/62/09/166196209.db2.gz SLDVTJPPUYOXGD-VIFPVBQESA-N 1 1 183.251 1.057 10 30 ADEEMO C=CCOc1ccc(C)[nH+]c1N 52856055 166197204 /nfs/dbraw/zinc/19/72/04/166197204.db2.gz HLZPQDRWLYKLQY-UHFFFAOYSA-N 1 1 164.208 1.537 10 30 ADEEMO C=CC[C@@H]1C(=O)C[C@@H](C)[N@H+]1C 214944117 166199605 /nfs/dbraw/zinc/19/96/05/166199605.db2.gz LXSBRGZOGQRYFE-HTQZYQBOSA-N 1 1 153.225 1.224 10 30 ADEEMO C=CC[C@@H]1C(=O)C[C@@H](C)[N@@H+]1C 214944117 166199607 /nfs/dbraw/zinc/19/96/07/166199607.db2.gz LXSBRGZOGQRYFE-HTQZYQBOSA-N 1 1 153.225 1.224 10 30 ADEEMO C=CC[C@@H]1C(=O)C[C@H](C)[N@H+]1C 34599054 166200208 /nfs/dbraw/zinc/20/02/08/166200208.db2.gz LXSBRGZOGQRYFE-JGVFFNPUSA-N 1 1 153.225 1.224 10 30 ADEEMO C=CC[C@@H]1C(=O)C[C@H](C)[N@@H+]1C 34599054 166200210 /nfs/dbraw/zinc/20/02/10/166200210.db2.gz LXSBRGZOGQRYFE-JGVFFNPUSA-N 1 1 153.225 1.224 10 30 ADEEMO C=CC[C@@]12CCC[N@H+]1CCCC2=O 39116330 166201591 /nfs/dbraw/zinc/20/15/91/166201591.db2.gz SHAYHDHEBHDPRZ-NSHDSACASA-N 1 1 179.263 1.760 10 30 ADEEMO C=CC[C@@H]1C[N@H+](C)CCC1=O 98090165 166201924 /nfs/dbraw/zinc/20/19/24/166201924.db2.gz WSHZOGZIBZONCZ-MRVPVSSYSA-N 1 1 153.225 1.083 10 30 in-vitro ADEEMO C=CC[C@@H]1C[N@@H+](C)CCC1=O 98090165 166201926 /nfs/dbraw/zinc/20/19/26/166201926.db2.gz WSHZOGZIBZONCZ-MRVPVSSYSA-N 1 1 153.225 1.083 10 30 in-vitro ADEEMO C=CC[C@@H]1CCC[N@@H+]1C 39073870 166202560 /nfs/dbraw/zinc/20/25/60/166202560.db2.gz OYVFYTZQJZDZQK-MRVPVSSYSA-N 1 1 125.215 1.657 10 30 ADEEMO C=CC[C@H]([NH3+])c1nnc(C#CC)o1 83340306 166203854 /nfs/dbraw/zinc/20/38/54/166203854.db2.gz QPSFHCOWDCALKS-ZETCQYMHSA-N 1 1 177.207 1.017 10 30 ADEEMO C=CC[C@H]1C(=O)C[C@H](C)[N@H+]1C 214944075 166204670 /nfs/dbraw/zinc/20/46/70/166204670.db2.gz LXSBRGZOGQRYFE-YUMQZZPRSA-N 1 1 153.225 1.224 10 30 ADEEMO C=CC[C@H]1C(=O)C[C@H](C)[N@@H+]1C 214944075 166204671 /nfs/dbraw/zinc/20/46/71/166204671.db2.gz LXSBRGZOGQRYFE-YUMQZZPRSA-N 1 1 153.225 1.224 10 30 ADEEMO C=CC[C@H]1C(=O)C[C@@H](C)[N@H+]1C 214944025 166204896 /nfs/dbraw/zinc/20/48/96/166204896.db2.gz LXSBRGZOGQRYFE-SFYZADRCSA-N 1 1 153.225 1.224 10 30 ADEEMO C=CC[C@H]1C(=O)C[C@@H](C)[N@@H+]1C 214944025 166204897 /nfs/dbraw/zinc/20/48/97/166204897.db2.gz LXSBRGZOGQRYFE-SFYZADRCSA-N 1 1 153.225 1.224 10 30 ADEEMO C=CC[C@H]1CCC[N@@H+]1C 142524650 166205052 /nfs/dbraw/zinc/20/50/52/166205052.db2.gz OYVFYTZQJZDZQK-QMMMGPOBSA-N 1 1 125.215 1.657 10 30 ADEEMO C=CC[C@H]1C[N@H+](C)CCC1=O 98090166 166206050 /nfs/dbraw/zinc/20/60/50/166206050.db2.gz WSHZOGZIBZONCZ-QMMMGPOBSA-N 1 1 153.225 1.083 10 30 in-vitro ADEEMO C=CC[C@H]1C[N@@H+](C)CCC1=O 98090166 166206051 /nfs/dbraw/zinc/20/60/51/166206051.db2.gz WSHZOGZIBZONCZ-QMMMGPOBSA-N 1 1 153.225 1.083 10 30 in-vitro ADEEMO C=CC[C@]12CCC[N@H+]1CCCC2=O 39116332 166206675 /nfs/dbraw/zinc/20/66/75/166206675.db2.gz SHAYHDHEBHDPRZ-LLVKDONJSA-N 1 1 179.263 1.760 10 30 ADEEMO C=CCn1c[nH+]c2cc(N)ccc21 8699367 166210212 /nfs/dbraw/zinc/21/02/12/166210212.db2.gz YJDIUHKFWZJQSI-UHFFFAOYSA-N 1 1 173.219 1.805 10 30 ADEEMO C=CCn1c[nH+]c(C)c1C 72190236 166210348 /nfs/dbraw/zinc/21/03/48/166210348.db2.gz RVDOTMBBIKZOIC-UHFFFAOYSA-N 1 1 136.198 1.686 10 30 ADEEMO C=CCn1cc[nH+]c1CC 41392129 166210482 /nfs/dbraw/zinc/21/04/82/166210482.db2.gz IPRUYNUSMDGXCX-UHFFFAOYSA-N 1 1 136.198 1.632 10 30 ADEEMO C=C[C@@H](C)[N@@H+](CC)CC(=O)OCC 52144746 166212598 /nfs/dbraw/zinc/21/25/98/166212598.db2.gz YBXROMLSYBZBDZ-SECBINFHSA-N 1 1 185.267 1.446 10 30 ADEEMO C=C[C@@H](C)[N@H+](CC)CC(=O)OCC 52144746 166212602 /nfs/dbraw/zinc/21/26/02/166212602.db2.gz YBXROMLSYBZBDZ-SECBINFHSA-N 1 1 185.267 1.446 10 30 ADEEMO C=C[C@@H](C)[N@H+](C)CCC(=O)OC 52144790 166212707 /nfs/dbraw/zinc/21/27/07/166212707.db2.gz RNQXNPINYMQRPB-MRVPVSSYSA-N 1 1 171.240 1.056 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCCC[C@@H]1CCO 52144813 166212809 /nfs/dbraw/zinc/21/28/09/166212809.db2.gz RZPXBTPCKOLOEK-GHMZBOCLSA-N 1 1 183.295 1.798 10 30 ADEEMO C=C[C@@H](C)[N@@H+]1CCCC[C@@H]1CN 52143875 166212817 /nfs/dbraw/zinc/21/28/17/166212817.db2.gz YHZYATBQZYGUPX-NXEZZACHSA-N 1 1 168.284 1.374 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCCC[C@@H]1CN 52143875 166212818 /nfs/dbraw/zinc/21/28/18/166212818.db2.gz YHZYATBQZYGUPX-NXEZZACHSA-N 1 1 168.284 1.374 10 30 ADEEMO C=C[C@@H](C)[N@H+](CCC)CC(=O)OC 52144773 166212826 /nfs/dbraw/zinc/21/28/26/166212826.db2.gz OYPQPXZLQPYHNU-SECBINFHSA-N 1 1 185.267 1.446 10 30 ADEEMO C=C[C@@H](C)[N@@H+](CCC)CC(=O)OC 52144773 166212827 /nfs/dbraw/zinc/21/28/27/166212827.db2.gz OYPQPXZLQPYHNU-SECBINFHSA-N 1 1 185.267 1.446 10 30 ADEEMO C=C[C@@H](C)[N@@H+](CCO)C1CCCC1 52144825 166212836 /nfs/dbraw/zinc/21/28/36/166212836.db2.gz YXMZKPBLQZOKJP-SNVBAGLBSA-N 1 1 183.295 1.798 10 30 ADEEMO C=C[C@@H](C)[N@@H+](CC)CCC(=O)OC 52144757 166212842 /nfs/dbraw/zinc/21/28/42/166212842.db2.gz OMFAPMSJJPSUCC-SECBINFHSA-N 1 1 185.267 1.446 10 30 ADEEMO C=C[C@@H](C)[N@H+](C)CCC(=O)OCC 52144784 166212856 /nfs/dbraw/zinc/21/28/56/166212856.db2.gz IMLKCDGUPOEVPW-SECBINFHSA-N 1 1 185.267 1.446 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCC[C@@H]1C(=O)OC 52144735 166212876 /nfs/dbraw/zinc/21/28/76/166212876.db2.gz SEXVTTVXRSZYMH-RKDXNWHRSA-N 1 1 183.251 1.198 10 30 ADEEMO C=C[C@@H](C)[N@@H+]1CCC[C@@H]1C(=O)OC 52144735 166212877 /nfs/dbraw/zinc/21/28/77/166212877.db2.gz SEXVTTVXRSZYMH-RKDXNWHRSA-N 1 1 183.251 1.198 10 30 ADEEMO C=C[C@@H](C)[N@H+](CCC)CC(=O)OCC 52144752 166212895 /nfs/dbraw/zinc/21/28/95/166212895.db2.gz JFIFCYPQVOLHLE-SNVBAGLBSA-N 1 1 199.294 1.836 10 30 ADEEMO C=C[C@@H](C)[N@@H+](CCC)CC(=O)OCC 52144752 166212896 /nfs/dbraw/zinc/21/28/96/166212896.db2.gz JFIFCYPQVOLHLE-SNVBAGLBSA-N 1 1 199.294 1.836 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCC[C@@H]1CO 52144835 166213005 /nfs/dbraw/zinc/21/30/05/166213005.db2.gz BTNRZWVVJGJPPR-RKDXNWHRSA-N 1 1 155.241 1.018 10 30 ADEEMO C=C[C@@H](C)[N@H+](CCO)C(C)C 52144801 166213053 /nfs/dbraw/zinc/21/30/53/166213053.db2.gz OFAZCIBYPPXMQQ-SECBINFHSA-N 1 1 157.257 1.264 10 30 ADEEMO C=C[C@@H](C)[N@H+](CC(=O)OC)C(C)C 49573029 166213073 /nfs/dbraw/zinc/21/30/73/166213073.db2.gz DFZLRBDZHOPZDI-SECBINFHSA-N 1 1 185.267 1.444 10 30 ADEEMO C=C[C@@H](C)[N@@H+](CC(=O)OC)C(C)C 49573029 166213074 /nfs/dbraw/zinc/21/30/74/166213074.db2.gz DFZLRBDZHOPZDI-SECBINFHSA-N 1 1 185.267 1.444 10 30 ADEEMO C=C[C@@H](C)[N@H+](CCCO)C(C)C 52144817 166213190 /nfs/dbraw/zinc/21/31/90/166213190.db2.gz WZYQMJMIBFDUCZ-SNVBAGLBSA-N 1 1 171.284 1.654 10 30 ADEEMO C=C[C@@H](C)[N@@H+](CC)C1CCNCC1 52143810 166213226 /nfs/dbraw/zinc/21/32/26/166213226.db2.gz DDBXDWNKXFWFIA-SNVBAGLBSA-N 1 1 182.311 1.635 10 30 ADEEMO C=C[C@@H](C)[N@H+](CC)C1CCNCC1 52143810 166213227 /nfs/dbraw/zinc/21/32/27/166213227.db2.gz DDBXDWNKXFWFIA-SNVBAGLBSA-N 1 1 182.311 1.635 10 30 ADEEMO C=C[C@@H](C)[N@H+](C)CCCC(=O)OC 52144769 166213251 /nfs/dbraw/zinc/21/32/51/166213251.db2.gz NIVMJDVBMUOYMK-SECBINFHSA-N 1 1 185.267 1.446 10 30 ADEEMO C=C[C@@H](C)N(C)C1CC[NH2+]CC1 52143805 166213308 /nfs/dbraw/zinc/21/33/08/166213308.db2.gz DNBZMQAARWIQGJ-SECBINFHSA-N 1 1 168.284 1.245 10 30 ADEEMO C=C[C@@H](C)[N@H+](CC)CC(=O)OC 52144778 166213320 /nfs/dbraw/zinc/21/33/20/166213320.db2.gz SNQQUSNBSGXVCU-MRVPVSSYSA-N 1 1 171.240 1.056 10 30 ADEEMO C=C[C@@H](C)[N@@H+](CC)CC(=O)OC 52144778 166213321 /nfs/dbraw/zinc/21/33/21/166213321.db2.gz SNQQUSNBSGXVCU-MRVPVSSYSA-N 1 1 171.240 1.056 10 30 ADEEMO C=C[C@@H]1CCC[N@@H+]1C 34617256 166215124 /nfs/dbraw/zinc/21/51/24/166215124.db2.gz HNECHEBEGNWYCN-SSDOTTSWSA-N 1 1 111.188 1.267 10 30 ADEEMO C=C[C@@H]1CCC[N@H+]1CCN(CC)CC 22862113 166215370 /nfs/dbraw/zinc/21/53/70/166215370.db2.gz VGHVSOSMSWCUIC-GFCCVEGCSA-N 1 1 196.338 1.979 10 30 ADEEMO C=C[C@@H]1CCC[N@@H+]1CCN(CC)CC 22862113 166215371 /nfs/dbraw/zinc/21/53/71/166215371.db2.gz VGHVSOSMSWCUIC-GFCCVEGCSA-N 1 1 196.338 1.979 10 30 ADEEMO C=C[C@@H]1[NH2+]CCc2c(O)ccc(F)c21 75707805 166215628 /nfs/dbraw/zinc/21/56/28/166215628.db2.gz UWTKDGBYMYFKLM-VIFPVBQESA-N 1 1 193.221 1.904 10 30 ADEEMO C=C[C@@H]1[NH2+]CCc2ccc(O)c(F)c21 75644913 166216065 /nfs/dbraw/zinc/21/60/65/166216065.db2.gz DBKIZFMBPANSMW-QMMMGPOBSA-N 1 1 193.221 1.904 10 30 ADEEMO C=C[C@H](C)N(C)C1CC[NH2+]CC1 52143802 166216672 /nfs/dbraw/zinc/21/66/72/166216672.db2.gz DNBZMQAARWIQGJ-VIFPVBQESA-N 1 1 168.284 1.245 10 30 ADEEMO C=C[C@H](C)[N@@H+](CC)CCC(=O)OC 52144755 166217000 /nfs/dbraw/zinc/21/70/00/166217000.db2.gz OMFAPMSJJPSUCC-VIFPVBQESA-N 1 1 185.267 1.446 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCC[C@@H]1C(=O)OC 52144732 166217076 /nfs/dbraw/zinc/21/70/76/166217076.db2.gz SEXVTTVXRSZYMH-DTWKUNHWSA-N 1 1 183.251 1.198 10 30 ADEEMO C=C[C@H](C)[N@@H+]1CCC[C@@H]1C(=O)OC 52144732 166217078 /nfs/dbraw/zinc/21/70/78/166217078.db2.gz SEXVTTVXRSZYMH-DTWKUNHWSA-N 1 1 183.251 1.198 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCC[C@@H]1CO 52144833 166217324 /nfs/dbraw/zinc/21/73/24/166217324.db2.gz BTNRZWVVJGJPPR-DTWKUNHWSA-N 1 1 155.241 1.018 10 30 ADEEMO C=C[C@H](C)[N@H+](CCC)CC(=O)OC 52144770 166217394 /nfs/dbraw/zinc/21/73/94/166217394.db2.gz OYPQPXZLQPYHNU-VIFPVBQESA-N 1 1 185.267 1.446 10 30 ADEEMO C=C[C@H](C)[N@@H+](CCC)CC(=O)OC 52144770 166217397 /nfs/dbraw/zinc/21/73/97/166217397.db2.gz OYPQPXZLQPYHNU-VIFPVBQESA-N 1 1 185.267 1.446 10 30 ADEEMO C=C[C@H](C)[N@@H+](C)C[C@@H](C)C#N 49574208 166217607 /nfs/dbraw/zinc/21/76/07/166217607.db2.gz CPMAZJWNVUZMGZ-IUCAKERBSA-N 1 1 152.241 1.652 10 30 ADEEMO C=C[C@H](C)[N@H+](C)C[C@@H](C)C#N 49574208 166217610 /nfs/dbraw/zinc/21/76/10/166217610.db2.gz CPMAZJWNVUZMGZ-IUCAKERBSA-N 1 1 152.241 1.652 10 30 ADEEMO C=C[C@H](C)[N@H+](CCC)CC(=O)OCC 52144747 166217641 /nfs/dbraw/zinc/21/76/41/166217641.db2.gz JFIFCYPQVOLHLE-JTQLQIEISA-N 1 1 199.294 1.836 10 30 ADEEMO C=C[C@H](C)[N@@H+](CCC)CC(=O)OCC 52144747 166217643 /nfs/dbraw/zinc/21/76/43/166217643.db2.gz JFIFCYPQVOLHLE-JTQLQIEISA-N 1 1 199.294 1.836 10 30 ADEEMO C=C[C@H](C)[N@H+](CCO)C(C)C 52144799 166217773 /nfs/dbraw/zinc/21/77/73/166217773.db2.gz OFAZCIBYPPXMQQ-VIFPVBQESA-N 1 1 157.257 1.264 10 30 ADEEMO C=C[C@H](C)[N@@H+](CCO)C1CCCC1 52144823 166217787 /nfs/dbraw/zinc/21/77/87/166217787.db2.gz YXMZKPBLQZOKJP-JTQLQIEISA-N 1 1 183.295 1.798 10 30 ADEEMO C=C[C@H](C)[N@@H+](C)C[C@H](C)C#N 49574207 166217798 /nfs/dbraw/zinc/21/77/98/166217798.db2.gz CPMAZJWNVUZMGZ-BDAKNGLRSA-N 1 1 152.241 1.652 10 30 ADEEMO C=C[C@H](C)[N@H+](C)C[C@H](C)C#N 49574207 166217799 /nfs/dbraw/zinc/21/77/99/166217799.db2.gz CPMAZJWNVUZMGZ-BDAKNGLRSA-N 1 1 152.241 1.652 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCC[C@@H]1C(=O)OCC 52144763 166217844 /nfs/dbraw/zinc/21/78/44/166217844.db2.gz WQVYHMUOZYTWNU-VHSXEESVSA-N 1 1 197.278 1.588 10 30 ADEEMO C=C[C@H](C)[N@@H+]1CCC[C@@H]1C(=O)OCC 52144763 166217845 /nfs/dbraw/zinc/21/78/45/166217845.db2.gz WQVYHMUOZYTWNU-VHSXEESVSA-N 1 1 197.278 1.588 10 30 ADEEMO C=C[C@H](C)[N@H+](C)CCC(=O)OC 52144787 166217896 /nfs/dbraw/zinc/21/78/96/166217896.db2.gz RNQXNPINYMQRPB-QMMMGPOBSA-N 1 1 171.240 1.056 10 30 ADEEMO C=C[C@H](C)[N@H+](CCCO)C(C)C 52144814 166217936 /nfs/dbraw/zinc/21/79/36/166217936.db2.gz WZYQMJMIBFDUCZ-JTQLQIEISA-N 1 1 171.284 1.654 10 30 ADEEMO C=C[C@H](C)[N@@H+](CC)C1CCNCC1 52143807 166217984 /nfs/dbraw/zinc/21/79/84/166217984.db2.gz DDBXDWNKXFWFIA-JTQLQIEISA-N 1 1 182.311 1.635 10 30 ADEEMO C=C[C@H](C)[N@H+](CC)C1CCNCC1 52143807 166217985 /nfs/dbraw/zinc/21/79/85/166217985.db2.gz DDBXDWNKXFWFIA-JTQLQIEISA-N 1 1 182.311 1.635 10 30 ADEEMO C=C[C@H](C)[N@H+](C)C[C@@H](C)C(=O)OC 49613012 166217989 /nfs/dbraw/zinc/21/79/89/166217989.db2.gz BBGQSVDZYNFFSO-BDAKNGLRSA-N 1 1 185.267 1.302 10 30 ADEEMO C=C[C@H](C)[N@H+](C)CCCC(=O)OC 52144765 166218018 /nfs/dbraw/zinc/21/80/18/166218018.db2.gz NIVMJDVBMUOYMK-VIFPVBQESA-N 1 1 185.267 1.446 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCCC[C@@H]1CCO 52144810 166218031 /nfs/dbraw/zinc/21/80/31/166218031.db2.gz RZPXBTPCKOLOEK-WDEREUQCSA-N 1 1 183.295 1.798 10 30 ADEEMO C=C[C@H](C)[N@@H+]1CCCC[C@@H]1CN 52143872 166218045 /nfs/dbraw/zinc/21/80/45/166218045.db2.gz YHZYATBQZYGUPX-VHSXEESVSA-N 1 1 168.284 1.374 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCCC[C@@H]1CN 52143872 166218046 /nfs/dbraw/zinc/21/80/46/166218046.db2.gz YHZYATBQZYGUPX-VHSXEESVSA-N 1 1 168.284 1.374 10 30 ADEEMO C=C[C@H](C)[N@H+](CC)CC(=O)OC 52144775 166218062 /nfs/dbraw/zinc/21/80/62/166218062.db2.gz SNQQUSNBSGXVCU-QMMMGPOBSA-N 1 1 171.240 1.056 10 30 ADEEMO C=C[C@H](C)[N@@H+](CC)CC(=O)OC 52144775 166218063 /nfs/dbraw/zinc/21/80/63/166218063.db2.gz SNQQUSNBSGXVCU-QMMMGPOBSA-N 1 1 171.240 1.056 10 30 ADEEMO C=C[C@H](C)[N@H+](CC(=O)OC)C(C)C 49573028 166218069 /nfs/dbraw/zinc/21/80/69/166218069.db2.gz DFZLRBDZHOPZDI-VIFPVBQESA-N 1 1 185.267 1.444 10 30 ADEEMO C=C[C@H](C)[N@@H+](CC(=O)OC)C(C)C 49573028 166218070 /nfs/dbraw/zinc/21/80/70/166218070.db2.gz DFZLRBDZHOPZDI-VIFPVBQESA-N 1 1 185.267 1.444 10 30 ADEEMO C=C[C@H](C)[N@@H+](CC)CC(=O)OCC 52144742 166218111 /nfs/dbraw/zinc/21/81/11/166218111.db2.gz YBXROMLSYBZBDZ-VIFPVBQESA-N 1 1 185.267 1.446 10 30 ADEEMO C=C[C@H](C)[N@H+](CC)CC(=O)OCC 52144742 166218112 /nfs/dbraw/zinc/21/81/12/166218112.db2.gz YBXROMLSYBZBDZ-VIFPVBQESA-N 1 1 185.267 1.446 10 30 ADEEMO C=C[C@H](C)[N@H+](C)CCC(=O)OCC 52144781 166218118 /nfs/dbraw/zinc/21/81/18/166218118.db2.gz IMLKCDGUPOEVPW-VIFPVBQESA-N 1 1 185.267 1.446 10 30 ADEEMO C=C[C@H]1CCC[N@H+]1CCN(CC)CC 22862110 166220386 /nfs/dbraw/zinc/22/03/86/166220386.db2.gz VGHVSOSMSWCUIC-LBPRGKRZSA-N 1 1 196.338 1.979 10 30 ADEEMO C=C[C@H]1CCC[N@@H+]1CCN(CC)CC 22862110 166220388 /nfs/dbraw/zinc/22/03/88/166220388.db2.gz VGHVSOSMSWCUIC-LBPRGKRZSA-N 1 1 196.338 1.979 10 30 ADEEMO C=C[C@H]1[NH2+]CCc2ccc(O)c(F)c21 75644911 166220402 /nfs/dbraw/zinc/22/04/02/166220402.db2.gz DBKIZFMBPANSMW-MRVPVSSYSA-N 1 1 193.221 1.904 10 30 ADEEMO C=C[C@H]1CC[N@H+]2CCC[C@@H]12 24260241 166220825 /nfs/dbraw/zinc/22/08/25/166220825.db2.gz OTNJYVLZQPFVJM-IUCAKERBSA-N 1 1 137.226 1.657 10 30 ADEEMO C=C[C@H]1[NH2+]CCc2c(O)ccc(F)c21 75707804 166220842 /nfs/dbraw/zinc/22/08/42/166220842.db2.gz UWTKDGBYMYFKLM-SECBINFHSA-N 1 1 193.221 1.904 10 30 ADEEMO C=C[C@H]1CCC[N@@H+]1C 34617255 166220865 /nfs/dbraw/zinc/22/08/65/166220865.db2.gz HNECHEBEGNWYCN-ZETCQYMHSA-N 1 1 111.188 1.267 10 30 ADEEMO C=C[C@]1(O)CC[N@H+](C)[C@@H]2CCCC[C@@H]21 255985255 166221516 /nfs/dbraw/zinc/22/15/16/166221516.db2.gz LHMVFLUAASVWDO-TUAOUCFPSA-N 1 1 195.306 1.798 10 30 ADEEMO C=C[C@]1(O)CC[N@H+](C)[C@H]2CCCC[C@H]21 255985257 166221973 /nfs/dbraw/zinc/22/19/73/166221973.db2.gz LHMVFLUAASVWDO-WOPDTQHZSA-N 1 1 195.306 1.798 10 30 ADEEMO C=C[C@]1(O)CC[N@H+](C)[C@@H]2CCCC[C@H]21 255985256 166222102 /nfs/dbraw/zinc/22/21/02/166222102.db2.gz LHMVFLUAASVWDO-UTUOFQBUSA-N 1 1 195.306 1.798 10 30 ADEEMO C=[NH+]Cc1ccncc1 39050566 166226017 /nfs/dbraw/zinc/22/60/17/166226017.db2.gz MMLGSWQDCWKSNB-UHFFFAOYSA-N 1 1 120.155 1.282 10 30 ADEEMO C=[NH+]Cc1cccnc1 39050569 166226240 /nfs/dbraw/zinc/22/62/40/166226240.db2.gz IEXKSDINAJBINE-UHFFFAOYSA-N 1 1 120.155 1.282 10 30 ADEEMO CC#CCC[N@H+]1C[C@@H]2CC[C@H](C1)O2 336171917 166226780 /nfs/dbraw/zinc/22/67/80/166226780.db2.gz YAOZRCVBNMOZJG-PHIMTYICSA-N 1 1 179.263 1.263 10 30 ADEEMO CC#CC[NH2+]C1CCN(CCC)CC1 51663589 166227563 /nfs/dbraw/zinc/22/75/63/166227563.db2.gz SBMYHHUAZLJELO-UHFFFAOYSA-N 1 1 194.322 1.474 10 30 ADEEMO CC#CC[C@H]([NH2+]CC)c1ncccn1 51665533 166229019 /nfs/dbraw/zinc/22/90/19/166229019.db2.gz RGIRRXVONXIFEE-JTQLQIEISA-N 1 1 189.262 1.541 10 30 ADEEMO CC#CC[C@H]([NH2+]C)c1ncccn1 51665529 166229031 /nfs/dbraw/zinc/22/90/31/166229031.db2.gz CJESTHYVFJZCMW-VIFPVBQESA-N 1 1 175.235 1.151 10 30 ADEEMO CC(=O)C1=C(C)CC[N@H+](C)C1 39069968 166235286 /nfs/dbraw/zinc/23/52/86/166235286.db2.gz QRAZDTHQJSTFON-UHFFFAOYSA-N 1 1 153.225 1.227 10 30 ADEEMO CC(=O)C1=C[C@H]2CC[C@@H](C1)[N@@H+]2C 39071711 166236771 /nfs/dbraw/zinc/23/67/71/166236771.db2.gz ACDNBQIGAKRKBQ-ZJUUUORDSA-N 1 1 165.236 1.368 10 30 ADEEMO CC(=O)C1=CCCC[N@H+]2CCC[C@H]12 34545845 166236814 /nfs/dbraw/zinc/23/68/14/166236814.db2.gz RKLGFGFPAIYMNU-LLVKDONJSA-N 1 1 179.263 1.760 10 30 ADEEMO CC(=O)C1=C[C@H]2CC[C@@H]1[N@@H+](C)C2 39071828 166236817 /nfs/dbraw/zinc/23/68/17/166236817.db2.gz DFSHLFSXLBOUOS-SCZZXKLOSA-N 1 1 165.236 1.226 10 30 ADEEMO CC(=O)C1=CC[C@@H]2CC[C@H]1[N@H+]2C 13519449 166236855 /nfs/dbraw/zinc/23/68/55/166236855.db2.gz KQIRSQYBYQBMIG-PSASIEDQSA-N 1 1 165.236 1.368 10 30 ADEEMO CC(=O)C1=CCCC[N@H+]2CCC[C@@H]12 34545846 166236868 /nfs/dbraw/zinc/23/68/68/166236868.db2.gz RKLGFGFPAIYMNU-NSHDSACASA-N 1 1 179.263 1.760 10 30 ADEEMO CC(=O)C1=CC[C@H]2CC[C@@H]1[N@H+]2C 34075711 166237187 /nfs/dbraw/zinc/23/71/87/166237187.db2.gz KQIRSQYBYQBMIG-WPRPVWTQSA-N 1 1 165.236 1.368 10 30 ADEEMO CC(=O)CC[N@@H+](CCC#N)CC(C)C 48323226 166241683 /nfs/dbraw/zinc/24/16/83/166241683.db2.gz NPKGPUNNYZVQDN-UHFFFAOYSA-N 1 1 196.294 1.837 10 30 ADEEMO CC(=O)CC[N@H+](CCC#N)CC(C)C 48323226 166241685 /nfs/dbraw/zinc/24/16/85/166241685.db2.gz NPKGPUNNYZVQDN-UHFFFAOYSA-N 1 1 196.294 1.837 10 30 ADEEMO CC(=O)NCC/[NH+]=C/c1ccccc1 18067067 166271149 /nfs/dbraw/zinc/27/11/49/166271149.db2.gz ADEHXNGPNMIYHE-FMIVXFBMSA-N 1 1 190.246 1.242 10 30 ADEEMO O=CC[N@H+]1CC[C@H]2CCCC[C@@H]21 133553378 343922176 /nfs/dbraw/zinc/92/21/76/343922176.db2.gz ZIBYGKXVCBRCOU-ZJUUUORDSA-N 1 1 167.252 1.450 10 30 ADEEMO O=CC[N@H+]1CC[C@H]2CCCC[C@H]21 133553169 343922353 /nfs/dbraw/zinc/92/23/53/343922353.db2.gz ZIBYGKXVCBRCOU-NXEZZACHSA-N 1 1 167.252 1.450 10 30 ADEEMO SCC[N@@H+]1C[C@H]2CCC[C@H]2C1 133575297 343922804 /nfs/dbraw/zinc/92/28/04/343922804.db2.gz UUNQGMWZKDHHNH-DTORHVGOSA-N 1 1 171.309 1.648 10 30 ADEEMO C[C@H]1OCC[C@@H]1[N@@H+](C)CCS 133578524 343922852 /nfs/dbraw/zinc/92/28/52/343922852.db2.gz CIJSKOKESAVBMU-SFYZADRCSA-N 1 1 175.297 1.025 10 30 ADEEMO CC(C)(C)[N@H+]1CCC[C@]1(C)C=O 34596544 166358525 /nfs/dbraw/zinc/35/85/25/166358525.db2.gz WMRCVKBINATNNU-SNVBAGLBSA-N 1 1 169.268 1.838 10 30 ADEEMO CC(C)(C)[N@H+]1CCC[C@@H]1C=O 100210629 166358991 /nfs/dbraw/zinc/35/89/91/166358991.db2.gz CMZIQQBQONHECT-MRVPVSSYSA-N 1 1 155.241 1.448 10 30 ADEEMO CC(C)(C)NC(=[NH+]N)c1ccsc1 42037080 166359378 /nfs/dbraw/zinc/35/93/78/166359378.db2.gz ROZMJQHJPDMMRA-UHFFFAOYSA-N 1 1 197.307 1.757 10 30 ADEEMO CC(C)(C)[N@H+]1CCC[C@@]1(C)C=O 34596545 166360112 /nfs/dbraw/zinc/36/01/12/166360112.db2.gz WMRCVKBINATNNU-JTQLQIEISA-N 1 1 169.268 1.838 10 30 ADEEMO CC(C)(C)NC(=[NH+]N)c1ccncc1 42036947 166360570 /nfs/dbraw/zinc/36/05/70/166360570.db2.gz RBMKBIWMHXEDQX-UHFFFAOYSA-N 1 1 192.266 1.090 10 30 ADEEMO CC(C)(C)[N@H+]1CCC[C@H]1C=O 100210632 166360781 /nfs/dbraw/zinc/36/07/81/166360781.db2.gz CMZIQQBQONHECT-QMMMGPOBSA-N 1 1 155.241 1.448 10 30 ADEEMO CC(C)(C)[N@H+]1CC[C@@H]1C=O 100208675 166360857 /nfs/dbraw/zinc/36/08/57/166360857.db2.gz KNKQHIHDPLCIQW-SSDOTTSWSA-N 1 1 141.214 1.058 10 30 ADEEMO CC(C)(C)[N@H+]1CC[C@H]1C=O 100208676 166361052 /nfs/dbraw/zinc/36/10/52/166361052.db2.gz KNKQHIHDPLCIQW-ZETCQYMHSA-N 1 1 141.214 1.058 10 30 ADEEMO CC(C)(C)OCC[C@](C)([NH3+])C#N 45207684 166373072 /nfs/dbraw/zinc/37/30/72/166373072.db2.gz KJJGFWHSCLVLKP-VIFPVBQESA-N 1 1 170.256 1.433 10 30 ADEEMO CC(C)(C)OCC[C@@](C)([NH3+])C#N 45207685 166373655 /nfs/dbraw/zinc/37/36/55/166373655.db2.gz KJJGFWHSCLVLKP-SECBINFHSA-N 1 1 170.256 1.433 10 30 ADEEMO CC(C)(C)[C@@H]([NH3+])c1nnc(CC#N)o1 83342127 166376378 /nfs/dbraw/zinc/37/63/78/166376378.db2.gz RUWPDMDPOJGANB-ZETCQYMHSA-N 1 1 194.238 1.182 10 30 ADEEMO CC(C)(C=O)C[N@H+]1CCCC[C@H]1CO 51179291 166391184 /nfs/dbraw/zinc/39/11/84/166391184.db2.gz RGLWEHKTOVCVSE-JTQLQIEISA-N 1 1 199.294 1.058 10 30 ADEEMO CC(C)(C=O)C[N@H+]1CCOCC1(C)C 51179120 166392664 /nfs/dbraw/zinc/39/26/64/166392664.db2.gz GREYRINWKNYQPW-UHFFFAOYSA-N 1 1 199.294 1.322 10 30 ADEEMO CC(C)(C=O)C[N@H+]1CCCC[C@@H]1CO 51179289 166392701 /nfs/dbraw/zinc/39/27/01/166392701.db2.gz RGLWEHKTOVCVSE-SNVBAGLBSA-N 1 1 199.294 1.058 10 30 ADEEMO CC(C)(C=O)C[N@H+]1C[C@H]2CC[C@@H]1C2 51178574 166392765 /nfs/dbraw/zinc/39/27/65/166392765.db2.gz TWUKUYNQWWPNOX-VHSXEESVSA-N 1 1 181.279 1.696 10 30 ADEEMO CC(C)(C=O)C[N@H+]1CCOC(C)(C)C1 51177214 166392891 /nfs/dbraw/zinc/39/28/91/166392891.db2.gz YVHJEPIHOMOLEA-UHFFFAOYSA-N 1 1 199.294 1.322 10 30 ADEEMO CC(C)([NH3+])/C(=N\O)c1ccccc1 5292465 166399964 /nfs/dbraw/zinc/39/99/64/166399964.db2.gz BCZGDCLTYCLXNB-XFXZXTDPSA-N 1 1 178.235 1.602 10 30 ADEEMO CC(C)CC[N@@H+](C)CC/C(N)=N/O 19834062 166441773 /nfs/dbraw/zinc/44/17/73/166441773.db2.gz HAPGJYWIVQGUAB-UHFFFAOYSA-N 1 1 187.287 1.101 10 30 ADEEMO CC(C)C[N@@H+](C)C[C@@]1(C=O)CCOC1 51176556 166455879 /nfs/dbraw/zinc/45/58/79/166455879.db2.gz STTSDLBRFIKPQH-LLVKDONJSA-N 1 1 199.294 1.180 10 30 ADEEMO CC(C)C[N@@H+](C)C[C@]1(C=O)CCOC1 51176555 166459826 /nfs/dbraw/zinc/45/98/26/166459826.db2.gz STTSDLBRFIKPQH-NSHDSACASA-N 1 1 199.294 1.180 10 30 ADEEMO CC(C)[N@@H+](C)CCCC[C@](C)(N)C#N 45307410 166510715 /nfs/dbraw/zinc/51/07/15/166510715.db2.gz IJNZFSNFDCAZMJ-NSHDSACASA-N 1 1 197.326 1.738 10 30 ADEEMO CC(C)[N@H+]1CC[C@@H](CC#N)C1 84426720 166523960 /nfs/dbraw/zinc/52/39/60/166523960.db2.gz IIMPKMGMNFVVHY-SECBINFHSA-N 1 1 152.241 1.630 10 30 ADEEMO CC(C)[N@H+]1CC[C@@H](NC[C@@H](C)C#N)C1 54181912 166524500 /nfs/dbraw/zinc/52/45/00/166524500.db2.gz JFBWUDWTYOMHAW-WDEREUQCSA-N 1 1 195.310 1.218 10 30 ADEEMO CCC(CC)[N@H+](C)C[C@](C)(C#N)NC 45176243 166791518 /nfs/dbraw/zinc/79/15/18/166791518.db2.gz HDWANPDCVNMGMZ-NSHDSACASA-N 1 1 197.326 1.608 10 30 ADEEMO CCC(CC)[N@@H+](C)C[C@](C)(C#N)NC 45176243 166791520 /nfs/dbraw/zinc/79/15/20/166791520.db2.gz HDWANPDCVNMGMZ-NSHDSACASA-N 1 1 197.326 1.608 10 30 ADEEMO CCC(CC)[N@@H+](CCO)C[C@H](C)C#N 42505346 166794558 /nfs/dbraw/zinc/79/45/58/166794558.db2.gz KBOIXPOLBSFQPT-SNVBAGLBSA-N 1 1 198.310 1.629 10 30 ADEEMO C#CCC[N@H+](C)[C@H]1CCO[C@@H]1C 133811399 343927590 /nfs/dbraw/zinc/92/75/90/343927590.db2.gz JMVMFXJSMLACLH-ZJUUUORDSA-N 1 1 167.252 1.119 10 30 ADEEMO CCCCCOCC[C@@](C)([NH3+])C#N 45213590 166869380 /nfs/dbraw/zinc/86/93/80/166869380.db2.gz AOTUAVIWYAURGY-SNVBAGLBSA-N 1 1 184.283 1.824 10 30 ADEEMO CCC[N@@H+](C[C@@](C)(N)C#N)C(C)C 45175983 166958552 /nfs/dbraw/zinc/95/85/52/166958552.db2.gz OFYOYSQEMFBPOR-JTQLQIEISA-N 1 1 183.299 1.348 10 30 ADEEMO CCCN[C@](C)(C#N)CC[N@@H+](C)CC 45180065 167004056 /nfs/dbraw/zinc/00/40/56/167004056.db2.gz MPUAQSMUGYIPNQ-NSHDSACASA-N 1 1 197.326 1.610 10 30 ADEEMO CCCOCCCC[C@@](C)([NH3+])C#N 45330167 167013321 /nfs/dbraw/zinc/01/33/21/167013321.db2.gz OSPRKVJQZSIKTB-SNVBAGLBSA-N 1 1 184.283 1.824 10 30 ADEEMO CCCOCCC[C@@](C)([NH3+])C#N 45330233 167013450 /nfs/dbraw/zinc/01/34/50/167013450.db2.gz HMVHYSCPQHMHAI-SECBINFHSA-N 1 1 170.256 1.434 10 30 ADEEMO CCCOCC[C@](C)([NH3+])C#N 45213379 167013844 /nfs/dbraw/zinc/01/38/44/167013844.db2.gz PSXLZYIYKIITOO-QMMMGPOBSA-N 1 1 156.229 1.044 10 30 ADEEMO CCCOCCCC[C@](C)([NH3+])C#N 45330165 167014299 /nfs/dbraw/zinc/01/42/99/167014299.db2.gz OSPRKVJQZSIKTB-JTQLQIEISA-N 1 1 184.283 1.824 10 30 ADEEMO CCCOCCC[C@](C)([NH3+])C#N 45330230 167015351 /nfs/dbraw/zinc/01/53/51/167015351.db2.gz HMVHYSCPQHMHAI-VIFPVBQESA-N 1 1 170.256 1.434 10 30 ADEEMO CCCOCC[C@@](C)([NH3+])C#N 45213382 167015375 /nfs/dbraw/zinc/01/53/75/167015375.db2.gz PSXLZYIYKIITOO-MRVPVSSYSA-N 1 1 156.229 1.044 10 30 ADEEMO CCCO[C@H]1CCC[N@H+](CC=O)C1 43803504 167016463 /nfs/dbraw/zinc/01/64/63/167016463.db2.gz LSRJKVPSOHTAJR-JTQLQIEISA-N 1 1 185.267 1.076 10 30 ADEEMO CCCO[C@H]1CCC[N@@H+](CC=O)C1 43803504 167016467 /nfs/dbraw/zinc/01/64/67/167016467.db2.gz LSRJKVPSOHTAJR-JTQLQIEISA-N 1 1 185.267 1.076 10 30 ADEEMO CCCO[C@@H]1CCC[N@@H+](C[C@@H]2CO2)C1 42422060 167017585 /nfs/dbraw/zinc/01/75/85/167017585.db2.gz OOOPPCZPKBTSBV-GHMZBOCLSA-N 1 1 199.294 1.276 10 30 ADEEMO CCCO[C@@H]1CCC[N@H+](CC=O)C1 43803501 167017709 /nfs/dbraw/zinc/01/77/09/167017709.db2.gz LSRJKVPSOHTAJR-SNVBAGLBSA-N 1 1 185.267 1.076 10 30 ADEEMO CCCO[C@@H]1CCC[N@@H+](CC=O)C1 43803501 167017711 /nfs/dbraw/zinc/01/77/11/167017711.db2.gz LSRJKVPSOHTAJR-SNVBAGLBSA-N 1 1 185.267 1.076 10 30 ADEEMO CCCSCC[C@](C)([NH3+])C#N 45217161 167023075 /nfs/dbraw/zinc/02/30/75/167023075.db2.gz KMSIDOIVFYRJQQ-QMMMGPOBSA-N 1 1 172.297 1.761 10 30 ADEEMO CCCSCC[C@@](C)([NH3+])C#N 45217164 167024141 /nfs/dbraw/zinc/02/41/41/167024141.db2.gz KMSIDOIVFYRJQQ-MRVPVSSYSA-N 1 1 172.297 1.761 10 30 ADEEMO CCC[C@@H](C)[N@@H+](C)CC=O 43803322 167031449 /nfs/dbraw/zinc/03/14/49/167031449.db2.gz PMTKBSSDDZRWET-MRVPVSSYSA-N 1 1 143.230 1.306 10 30 ADEEMO CCC[C@@](C)(C=O)C[N@@H+](C)CC 51176411 167055049 /nfs/dbraw/zinc/05/50/49/167055049.db2.gz KPNLZIILGMPDMG-SNVBAGLBSA-N 1 1 171.284 1.943 10 30 ADEEMO CCC[C@@](C)(C=O)C[NH+]1CCOCC1 51175270 167056555 /nfs/dbraw/zinc/05/65/55/167056555.db2.gz FTWXJVBTTMBGIN-LLVKDONJSA-N 1 1 199.294 1.324 10 30 ADEEMO CCC[C@H](C)[N@@H+](C)CC=O 43803324 167067198 /nfs/dbraw/zinc/06/71/98/167067198.db2.gz PMTKBSSDDZRWET-QMMMGPOBSA-N 1 1 143.230 1.306 10 30 ADEEMO CCC[C@](C)(C=O)C[N@@H+](C)CC 51176409 167093741 /nfs/dbraw/zinc/09/37/41/167093741.db2.gz KPNLZIILGMPDMG-JTQLQIEISA-N 1 1 171.284 1.943 10 30 ADEEMO CCC[C@](C)(C=O)C[NH+]1CCOCC1 51175269 167093771 /nfs/dbraw/zinc/09/37/71/167093771.db2.gz FTWXJVBTTMBGIN-NSHDSACASA-N 1 1 199.294 1.324 10 30 ADEEMO CC[N@@H+](C)CCCCC#N 49579365 167138761 /nfs/dbraw/zinc/13/87/61/167138761.db2.gz OVYKDVCYSOEMAV-UHFFFAOYSA-N 1 1 140.230 1.632 10 30 ADEEMO CC[N@@H+](C)CC1(C=O)CCCC1 51176418 167139278 /nfs/dbraw/zinc/13/92/78/167139278.db2.gz AYNORHCBXNGTKM-UHFFFAOYSA-N 1 1 169.268 1.697 10 30 ADEEMO CC[N@@H+](C)CCCC#N 37078816 167140225 /nfs/dbraw/zinc/14/02/25/167140225.db2.gz NPRNMFFHFYFUDI-UHFFFAOYSA-N 1 1 126.203 1.242 10 30 ADEEMO CC[N@@H+](C)CC(C=O)(CC)CC 51176426 167140778 /nfs/dbraw/zinc/14/07/78/167140778.db2.gz RGFFXXVPQPBFCG-UHFFFAOYSA-N 1 1 171.284 1.943 10 30 ADEEMO CC[N@@H+](C)CC[C@@](C)(C#N)NC(C)C 45180071 167140902 /nfs/dbraw/zinc/14/09/02/167140902.db2.gz XGRYCKQPKFTELK-NSHDSACASA-N 1 1 197.326 1.608 10 30 ADEEMO CC[N@@H+](C)CC(C)(C)C=O 51176420 167141103 /nfs/dbraw/zinc/14/11/03/167141103.db2.gz OBZULKWVRYAXMM-UHFFFAOYSA-N 1 1 143.230 1.163 10 30 ADEEMO CC[N@@H+](C)CC[C@](C)(C#N)NC(C)C 45180073 167141270 /nfs/dbraw/zinc/14/12/70/167141270.db2.gz XGRYCKQPKFTELK-LLVKDONJSA-N 1 1 197.326 1.608 10 30 ADEEMO CC[N@@H+](C)Cc1ccc(C#N)o1 306232928 167143456 /nfs/dbraw/zinc/14/34/56/167143456.db2.gz ARBOVERHSYYRAQ-UHFFFAOYSA-N 1 1 164.208 1.603 10 30 ADEEMO CC[N@@H+](C)[C@@H]1CCC[C@@H]1C#N 37146956 167144833 /nfs/dbraw/zinc/14/48/33/167144833.db2.gz NTFIDEULZBWYNN-RKDXNWHRSA-N 1 1 152.241 1.630 10 30 ADEEMO CC[N@@H+](C)C[C@@](C)(C=O)CC 51176422 167146740 /nfs/dbraw/zinc/14/67/40/167146740.db2.gz YQZGXHGSKLSWEJ-VIFPVBQESA-N 1 1 157.257 1.553 10 30 ADEEMO CC[N@@H+](C)C[C@](C)(C=O)CC 51176424 167147816 /nfs/dbraw/zinc/14/78/16/167147816.db2.gz YQZGXHGSKLSWEJ-SECBINFHSA-N 1 1 157.257 1.553 10 30 ADEEMO CC[N@@H+](C)[C@H]1CCC[C@@H]1C#N 37146957 167148656 /nfs/dbraw/zinc/14/86/56/167148656.db2.gz NTFIDEULZBWYNN-BDAKNGLRSA-N 1 1 152.241 1.630 10 30 ADEEMO CC[N@@H+](C/C(N)=N/O)C1CCCCC1 19474206 167149681 /nfs/dbraw/zinc/14/96/81/167149681.db2.gz WGJMBJUULXAWHL-UHFFFAOYSA-N 1 1 199.298 1.387 10 30 ADEEMO CC[N@H+](C1CC1)[C@@H](C)CC#N 48246675 167150545 /nfs/dbraw/zinc/15/05/45/167150545.db2.gz CSXTYUQAARAGRV-QMMMGPOBSA-N 1 1 152.241 1.773 10 30 ADEEMO CCN(CC#N)CCn1cc[nH+]c1C 45062033 167154289 /nfs/dbraw/zinc/15/42/89/167154289.db2.gz GTRRSSBZMYWQCL-UHFFFAOYSA-N 1 1 192.266 1.037 10 30 ADEEMO CC[N@H+](C1CC1)[C@H](C)CC#N 48246678 167154610 /nfs/dbraw/zinc/15/46/10/167154610.db2.gz CSXTYUQAARAGRV-MRVPVSSYSA-N 1 1 152.241 1.773 10 30 ADEEMO CC[N@@H+](CC(C)(C)C=O)C1CC1 51176441 167155940 /nfs/dbraw/zinc/15/59/40/167155940.db2.gz YSTFQEGUCJXHKW-UHFFFAOYSA-N 1 1 169.268 1.696 10 30 ADEEMO CC[N@@H+](CC(C)C)C[C@](C)(N)C#N 45175793 167156323 /nfs/dbraw/zinc/15/63/23/167156323.db2.gz GZUBZOWTHYINCF-SNVBAGLBSA-N 1 1 183.299 1.205 10 30 ADEEMO CC[N@@H+](CC(C)(C)C=O)C(C)C 51176509 167156986 /nfs/dbraw/zinc/15/69/86/167156986.db2.gz SZFRAPGAZNJTDO-UHFFFAOYSA-N 1 1 171.284 1.942 10 30 ADEEMO CC[N@@H+](CC(C)C)C[C@@](C)(N)C#N 45175795 167159012 /nfs/dbraw/zinc/15/90/12/167159012.db2.gz GZUBZOWTHYINCF-JTQLQIEISA-N 1 1 183.299 1.205 10 30 ADEEMO CC[N@H+](CC(C)C)C[C@](C)(C#N)NC 45175799 167159091 /nfs/dbraw/zinc/15/90/91/167159091.db2.gz OSAAMCSEJXNUEO-NSHDSACASA-N 1 1 197.326 1.466 10 30 ADEEMO CC[N@@H+](CC(C)C)C[C@](C)(C#N)NC 45175799 167159093 /nfs/dbraw/zinc/15/90/93/167159093.db2.gz OSAAMCSEJXNUEO-NSHDSACASA-N 1 1 197.326 1.466 10 30 ADEEMO CC[N@H+](CC(C)C)C[C@@](C)(C#N)NC 45175797 167159098 /nfs/dbraw/zinc/15/90/98/167159098.db2.gz OSAAMCSEJXNUEO-LLVKDONJSA-N 1 1 197.326 1.466 10 30 ADEEMO CC[N@@H+](CC(C)C)C[C@@](C)(C#N)NC 45175797 167159099 /nfs/dbraw/zinc/15/90/99/167159099.db2.gz OSAAMCSEJXNUEO-LLVKDONJSA-N 1 1 197.326 1.466 10 30 ADEEMO CC[NH+](CC)C[C@@H](C)NCCCC#N 45706298 167166728 /nfs/dbraw/zinc/16/67/28/167166728.db2.gz KEGBKMCOHOURQK-LLVKDONJSA-N 1 1 197.326 1.610 10 30 ADEEMO CC[NH+](CC)CCCNCCCC#N 20052142 167167128 /nfs/dbraw/zinc/16/71/28/167167128.db2.gz GPOWSJULNVHHLX-UHFFFAOYSA-N 1 1 197.326 1.612 10 30 ADEEMO CC[NH+](CC)CCNCCCC#N 20050494 167167534 /nfs/dbraw/zinc/16/75/34/167167534.db2.gz TUWBRHGYHAXMQY-UHFFFAOYSA-N 1 1 183.299 1.222 10 30 ADEEMO CC[NH+](CC)C[C@H](C)NCCCC#N 45706301 167170217 /nfs/dbraw/zinc/17/02/17/167170217.db2.gz KEGBKMCOHOURQK-NSHDSACASA-N 1 1 197.326 1.610 10 30 ADEEMO CC[N@H+](CCC#N)C[C@H](C)C(=O)OC 42450911 167175738 /nfs/dbraw/zinc/17/57/38/167175738.db2.gz ZFQNHAKNASXFCN-VIFPVBQESA-N 1 1 198.266 1.031 10 30 ADEEMO CC[N@@H+](CCC#N)C[C@H](C)C(=O)OC 42450911 167175739 /nfs/dbraw/zinc/17/57/39/167175739.db2.gz ZFQNHAKNASXFCN-VIFPVBQESA-N 1 1 198.266 1.031 10 30 ADEEMO CC[N@H+](CCC#N)C1CC1 37022971 167175991 /nfs/dbraw/zinc/17/59/91/167175991.db2.gz OCJISTURQNYUSI-UHFFFAOYSA-N 1 1 138.214 1.384 10 30 ADEEMO CC[N@@H+](CCC#N)C1CC1 37022971 167175995 /nfs/dbraw/zinc/17/59/95/167175995.db2.gz OCJISTURQNYUSI-UHFFFAOYSA-N 1 1 138.214 1.384 10 30 ADEEMO CC[N@H+](CC1CCOCC1)C[C@H]1CO1 85343254 167176042 /nfs/dbraw/zinc/17/60/42/167176042.db2.gz XXRLPAPOFUQELM-NSHDSACASA-N 1 1 199.294 1.134 10 30 ADEEMO CC[N@H+](CCC#N)C[C@@H](C)C(=O)OC 42450909 167176774 /nfs/dbraw/zinc/17/67/74/167176774.db2.gz ZFQNHAKNASXFCN-SECBINFHSA-N 1 1 198.266 1.031 10 30 ADEEMO CC[N@@H+](CCC#N)C[C@@H](C)C(=O)OC 42450909 167176775 /nfs/dbraw/zinc/17/67/75/167176775.db2.gz ZFQNHAKNASXFCN-SECBINFHSA-N 1 1 198.266 1.031 10 30 ADEEMO CC[N@@H+](CC=O)C1CCCCC1 43803142 167176932 /nfs/dbraw/zinc/17/69/32/167176932.db2.gz ZQCQZXBRMFJZJD-UHFFFAOYSA-N 1 1 169.268 1.840 10 30 ADEEMO CC[N@H+](CC1CCOCC1)C[C@@H]1CO1 85343250 167177455 /nfs/dbraw/zinc/17/74/55/167177455.db2.gz XXRLPAPOFUQELM-LLVKDONJSA-N 1 1 199.294 1.134 10 30 ADEEMO CC[N@@H+](CC=O)C1CCCC1 43803298 167177586 /nfs/dbraw/zinc/17/75/86/167177586.db2.gz ZGZDBYMWYNZDEQ-UHFFFAOYSA-N 1 1 155.241 1.450 10 30 ADEEMO CC[N@@H+](CC=O)CC(C)C 43803281 167177594 /nfs/dbraw/zinc/17/75/94/167177594.db2.gz HJLUCBINQHJSCZ-UHFFFAOYSA-N 1 1 143.230 1.163 10 30 ADEEMO CCN(CCC#N)c1cc[nH+]cc1N 42450589 167178510 /nfs/dbraw/zinc/17/85/10/167178510.db2.gz VENWJNPDTQDFPK-UHFFFAOYSA-N 1 1 190.250 1.404 10 30 ADEEMO CC[N@H+](CCCC#N)C[C@@H](C)C#N 42287682 167178542 /nfs/dbraw/zinc/17/85/42/167178542.db2.gz CRKSGTPBWZYMSS-JTQLQIEISA-N 1 1 179.267 1.772 10 30 ADEEMO CC[N@@H+](CCCC#N)C[C@@H](C)C#N 42287682 167178545 /nfs/dbraw/zinc/17/85/45/167178545.db2.gz CRKSGTPBWZYMSS-JTQLQIEISA-N 1 1 179.267 1.772 10 30 ADEEMO CC[N@@H+](CCCC/C(N)=N\O)C1CC1 49580159 167178950 /nfs/dbraw/zinc/17/89/50/167178950.db2.gz TYXIDBARFGJJKF-UHFFFAOYSA-N 1 1 199.298 1.387 10 30 ADEEMO CC[N@H+](CCCC#N)C[C@H](C)C#N 42287684 167179229 /nfs/dbraw/zinc/17/92/29/167179229.db2.gz CRKSGTPBWZYMSS-SNVBAGLBSA-N 1 1 179.267 1.772 10 30 ADEEMO CC[N@@H+](CCCC#N)C[C@H](C)C#N 42287684 167179235 /nfs/dbraw/zinc/17/92/35/167179235.db2.gz CRKSGTPBWZYMSS-SNVBAGLBSA-N 1 1 179.267 1.772 10 30 ADEEMO CC[N@H+](CCC(=O)OC)[C@H](C)CC#N 50053483 167179482 /nfs/dbraw/zinc/17/94/82/167179482.db2.gz PJWVLJKGALTGHO-SECBINFHSA-N 1 1 198.266 1.174 10 30 ADEEMO CC[N@@H+](CCC(=O)OC)[C@H](C)CC#N 50053483 167179485 /nfs/dbraw/zinc/17/94/85/167179485.db2.gz PJWVLJKGALTGHO-SECBINFHSA-N 1 1 198.266 1.174 10 30 ADEEMO CC[N@@H+](CCCCC#N)CC(=O)OC 50066407 167179841 /nfs/dbraw/zinc/17/98/41/167179841.db2.gz QQPJUIKZEBWXEB-UHFFFAOYSA-N 1 1 198.266 1.175 10 30 ADEEMO CC[N@@H+](CCCC#N)CCOC 42493023 167180631 /nfs/dbraw/zinc/18/06/31/167180631.db2.gz FAGHRAWAJPYSCM-UHFFFAOYSA-N 1 1 170.256 1.258 10 30 ADEEMO CC[N@H+](CCC#N)[C@@H](C)CC(=O)OC 42450901 167180694 /nfs/dbraw/zinc/18/06/94/167180694.db2.gz CYJITKJBXPTIJH-VIFPVBQESA-N 1 1 198.266 1.174 10 30 ADEEMO CC[N@@H+](CCC#N)[C@@H](C)CC(=O)OC 42450901 167180695 /nfs/dbraw/zinc/18/06/95/167180695.db2.gz CYJITKJBXPTIJH-VIFPVBQESA-N 1 1 198.266 1.174 10 30 ADEEMO CCN(CCC#N)c1cc[nH+]cc1 42454649 167180800 /nfs/dbraw/zinc/18/08/00/167180800.db2.gz BFVKQLQIVURNQC-UHFFFAOYSA-N 1 1 175.235 1.822 10 30 ADEEMO CC[N@H+](CCC#N)[C@H](C)CC(=O)OC 42450903 167181121 /nfs/dbraw/zinc/18/11/21/167181121.db2.gz CYJITKJBXPTIJH-SECBINFHSA-N 1 1 198.266 1.174 10 30 ADEEMO CC[N@@H+](CCC#N)[C@H](C)CC(=O)OC 42450903 167181123 /nfs/dbraw/zinc/18/11/23/167181123.db2.gz CYJITKJBXPTIJH-SECBINFHSA-N 1 1 198.266 1.174 10 30 ADEEMO CC[N@H+](CCC(=O)OC)[C@@H](C)CC#N 50053481 167182019 /nfs/dbraw/zinc/18/20/19/167182019.db2.gz PJWVLJKGALTGHO-VIFPVBQESA-N 1 1 198.266 1.174 10 30 ADEEMO CC[N@@H+](CCC(=O)OC)[C@@H](C)CC#N 50053481 167182021 /nfs/dbraw/zinc/18/20/21/167182021.db2.gz PJWVLJKGALTGHO-VIFPVBQESA-N 1 1 198.266 1.174 10 30 ADEEMO CC[N@@H+](CCO)CC1(C=O)CCCC1 51177518 167186639 /nfs/dbraw/zinc/18/66/39/167186639.db2.gz KEHJHCOFEPOENP-UHFFFAOYSA-N 1 1 199.294 1.060 10 30 ADEEMO CC[N@@H+](CCOC)[C@@H]1CCC[C@@H]1C#N 42493056 167186834 /nfs/dbraw/zinc/18/68/34/167186834.db2.gz GFKNAKPFXXVMCJ-GHMZBOCLSA-N 1 1 196.294 1.647 10 30 ADEEMO CC[N@@H+](CCOC)[C@H]1CCC[C@@H]1C#N 42493057 167187079 /nfs/dbraw/zinc/18/70/79/167187079.db2.gz GFKNAKPFXXVMCJ-MNOVXSKESA-N 1 1 196.294 1.647 10 30 ADEEMO CC[N@@H+](CC[C@@](C)(N)C#N)CC(C)C 45179920 167187396 /nfs/dbraw/zinc/18/73/96/167187396.db2.gz FIUHXCYOCKFEJF-LLVKDONJSA-N 1 1 197.326 1.595 10 30 ADEEMO CC[N@H+](CCOC)[C@@H](C)CC#N 42493070 167188509 /nfs/dbraw/zinc/18/85/09/167188509.db2.gz CRODUBRRFGSYPE-VIFPVBQESA-N 1 1 170.256 1.257 10 30 ADEEMO CC[N@@H+](CCOC)[C@@H](C)CC#N 42493070 167188513 /nfs/dbraw/zinc/18/85/13/167188513.db2.gz CRODUBRRFGSYPE-VIFPVBQESA-N 1 1 170.256 1.257 10 30 ADEEMO CC[N@@H+](C[C@@H](C)C#N)C1CC1 37022975 167189021 /nfs/dbraw/zinc/18/90/21/167189021.db2.gz VILXOSRIHQQQQO-QMMMGPOBSA-N 1 1 152.241 1.630 10 30 ADEEMO CC[N@H+](CCOC)[C@H](C)CC#N 42493071 167189791 /nfs/dbraw/zinc/18/97/91/167189791.db2.gz CRODUBRRFGSYPE-SECBINFHSA-N 1 1 170.256 1.257 10 30 ADEEMO CC[N@@H+](CCOC)[C@H](C)CC#N 42493071 167189793 /nfs/dbraw/zinc/18/97/93/167189793.db2.gz CRODUBRRFGSYPE-SECBINFHSA-N 1 1 170.256 1.257 10 30 ADEEMO CC[N@@H+](CC[C@](C)(N)C#N)CC(C)C 45179917 167190425 /nfs/dbraw/zinc/19/04/25/167190425.db2.gz FIUHXCYOCKFEJF-NSHDSACASA-N 1 1 197.326 1.595 10 30 ADEEMO CC[N@@H+](CCOC)CC(C)(C)C=O 51178933 167190776 /nfs/dbraw/zinc/19/07/76/167190776.db2.gz ADEOJNTWGZWENM-UHFFFAOYSA-N 1 1 187.283 1.180 10 30 ADEEMO CC[N@@H+](C[C@](C)(N)C#N)C1CCCC1 45176191 167191105 /nfs/dbraw/zinc/19/11/05/167191105.db2.gz NSJBNUZTYCHNII-LLVKDONJSA-N 1 1 195.310 1.492 10 30 ADEEMO CC[N@@H+](C[C@H](N)C#N)C1CCCCC1 45306089 167191264 /nfs/dbraw/zinc/19/12/64/167191264.db2.gz GWYVAHJEFPUBFP-SNVBAGLBSA-N 1 1 195.310 1.492 10 30 ADEEMO CC[N@H+](Cc1ccco1)C[C@H]1CO1 42445667 167191413 /nfs/dbraw/zinc/19/14/13/167191413.db2.gz BQPLEQHIGCMXAL-JTQLQIEISA-N 1 1 181.235 1.500 10 30 ADEEMO CC[N@@H+](C[C@H]1CO1)C(C)C 37082223 167191550 /nfs/dbraw/zinc/19/15/50/167191550.db2.gz XLWHIYBXIHLNNL-QMMMGPOBSA-N 1 1 143.230 1.116 10 30 ADEEMO CC[N@@H+](C[C@@](C)(N)C#N)C1CCCC1 45176193 167191702 /nfs/dbraw/zinc/19/17/02/167191702.db2.gz NSJBNUZTYCHNII-NSHDSACASA-N 1 1 195.310 1.492 10 30 ADEEMO CC[N@@H+](C[C@@]1(C=O)CCOC1)C(C)C 51176497 167191921 /nfs/dbraw/zinc/19/19/21/167191921.db2.gz DERGTZVLOFFXDR-LLVKDONJSA-N 1 1 199.294 1.322 10 30 ADEEMO CC[N@@H+](C[C@]1(C=O)CCOC1)C1CC1 51176428 167192129 /nfs/dbraw/zinc/19/21/29/167192129.db2.gz GIBMQUJWMIDCMX-NSHDSACASA-N 1 1 197.278 1.076 10 30 ADEEMO CC[N@H+](Cc1ccncc1)C[C@@H]1CO1 42515758 167192314 /nfs/dbraw/zinc/19/23/14/167192314.db2.gz NPYNRFCFNYNULR-LLVKDONJSA-N 1 1 192.262 1.302 10 30 ADEEMO CC[N@@H+](C[C@]1(C=O)CCOC1)C(C)C 51176495 167192646 /nfs/dbraw/zinc/19/26/46/167192646.db2.gz DERGTZVLOFFXDR-NSHDSACASA-N 1 1 199.294 1.322 10 30 ADEEMO CC[N@H+](C[C@@H]1CCCO1)[C@@H](C)CC#N 42468330 167192719 /nfs/dbraw/zinc/19/27/19/167192719.db2.gz FRNGLYKZOJBKLT-QWRGUYRKSA-N 1 1 196.294 1.789 10 30 ADEEMO CC[N@@H+](C[C@@H]1CCCO1)[C@@H](C)CC#N 42468330 167192722 /nfs/dbraw/zinc/19/27/22/167192722.db2.gz FRNGLYKZOJBKLT-QWRGUYRKSA-N 1 1 196.294 1.789 10 30 ADEEMO CC[N@H+](Cc1cccs1)C[C@@H]1CO1 42487696 167192813 /nfs/dbraw/zinc/19/28/13/167192813.db2.gz HTVSGJHYUFXBKP-SECBINFHSA-N 1 1 197.303 1.969 10 30 ADEEMO CC[N@H+](Cc1cccs1)C[C@H]1CO1 42487697 167192970 /nfs/dbraw/zinc/19/29/70/167192970.db2.gz HTVSGJHYUFXBKP-VIFPVBQESA-N 1 1 197.303 1.969 10 30 ADEEMO CC[N@H+](Cc1ccncc1)C[C@H]1CO1 42515760 167193159 /nfs/dbraw/zinc/19/31/59/167193159.db2.gz NPYNRFCFNYNULR-NSHDSACASA-N 1 1 192.262 1.302 10 30 ADEEMO CC[N@@H+](C[C@H](C)C#N)C1CC1 37022977 167193195 /nfs/dbraw/zinc/19/31/95/167193195.db2.gz VILXOSRIHQQQQO-MRVPVSSYSA-N 1 1 152.241 1.630 10 30 ADEEMO CC[N@H+](C[C@H]1CCCO1)[C@@H](C)CC#N 42468333 167193712 /nfs/dbraw/zinc/19/37/12/167193712.db2.gz FRNGLYKZOJBKLT-WDEREUQCSA-N 1 1 196.294 1.789 10 30 ADEEMO CC[N@@H+](C[C@H]1CCCO1)[C@@H](C)CC#N 42468333 167193714 /nfs/dbraw/zinc/19/37/14/167193714.db2.gz FRNGLYKZOJBKLT-WDEREUQCSA-N 1 1 196.294 1.789 10 30 ADEEMO CC[N@@H+](C[C@@H]1CO1)C(C)C 37082222 167193769 /nfs/dbraw/zinc/19/37/69/167193769.db2.gz XLWHIYBXIHLNNL-MRVPVSSYSA-N 1 1 143.230 1.116 10 30 ADEEMO CC[N@@H+](C[C@@]1(C=O)CCOC1)C1CC1 51176429 167194710 /nfs/dbraw/zinc/19/47/10/167194710.db2.gz GIBMQUJWMIDCMX-LLVKDONJSA-N 1 1 197.278 1.076 10 30 ADEEMO CC[N@H+](Cc1ccco1)C[C@@H]1CO1 42445665 167194772 /nfs/dbraw/zinc/19/47/72/167194772.db2.gz BQPLEQHIGCMXAL-SNVBAGLBSA-N 1 1 181.235 1.500 10 30 ADEEMO CCNC(=[NH+]N)c1cc(F)cc(F)c1 42035572 167195051 /nfs/dbraw/zinc/19/50/51/167195051.db2.gz OUBUAIHXCICYGQ-UHFFFAOYSA-N 1 1 199.204 1.195 10 30 ADEEMO CCNC(=[NH+]N)c1sccc1C 42035631 167195380 /nfs/dbraw/zinc/19/53/80/167195380.db2.gz OUQCZXJLUZJTIQ-UHFFFAOYSA-N 1 1 183.280 1.286 10 30 ADEEMO CCNC(=[NH+]N)c1cc(C)oc1C 42035520 167195905 /nfs/dbraw/zinc/19/59/05/167195905.db2.gz FKDUDGRQDMDNOI-UHFFFAOYSA-N 1 1 181.239 1.126 10 30 ADEEMO CC[N@H+]([C@@H](C)CC#N)[C@@H](C)COC 42764551 167196176 /nfs/dbraw/zinc/19/61/76/167196176.db2.gz DRKKIEFRXBIBLG-UWVGGRQHSA-N 1 1 184.283 1.645 10 30 ADEEMO CC[N@@H+]([C@@H](C)COC)[C@H](C)CC#N 42764556 167196555 /nfs/dbraw/zinc/19/65/55/167196555.db2.gz DRKKIEFRXBIBLG-ZJUUUORDSA-N 1 1 184.283 1.645 10 30 ADEEMO CC[N@@H+]1CC=C(C(C)=O)CC1 26835270 167200375 /nfs/dbraw/zinc/20/03/75/167200375.db2.gz OSMHAKPKSRJGTE-UHFFFAOYSA-N 1 1 153.225 1.227 10 30 ADEEMO CC[N@H+]1CCC[C@@H](C#N)CC1 57354179 167204344 /nfs/dbraw/zinc/20/43/44/167204344.db2.gz KRZJGRIZKBAUDB-SECBINFHSA-N 1 1 152.241 1.632 10 30 ADEEMO CC[N@H+]1CCC(O)=C(C(C)=O)C1 49475323 167204606 /nfs/dbraw/zinc/20/46/06/167204606.db2.gz ITWUXVXSFUWFMJ-UHFFFAOYSA-N 1 1 169.224 1.113 10 30 ADEEMO CC[N@H+]1CCC[C@@H]1CNC[C@@H](C)C#N 36667644 167207508 /nfs/dbraw/zinc/20/75/08/167207508.db2.gz AVLFSCRQFZRFSJ-WDEREUQCSA-N 1 1 195.310 1.220 10 30 ADEEMO CCN1CCC[C@@H]1C[NH2+]C[C@@H](C)C#N 36667644 167207512 /nfs/dbraw/zinc/20/75/12/167207512.db2.gz AVLFSCRQFZRFSJ-WDEREUQCSA-N 1 1 195.310 1.220 10 30 ADEEMO CC[N@H+]1CCC[C@H](C#N)CC1 57354178 167209971 /nfs/dbraw/zinc/20/99/71/167209971.db2.gz KRZJGRIZKBAUDB-VIFPVBQESA-N 1 1 152.241 1.632 10 30 ADEEMO CC[N@H+]1CCC[C@@H](S)C1 73652170 167210799 /nfs/dbraw/zinc/21/07/99/167210799.db2.gz BNISDUXYQZTIEV-SSDOTTSWSA-N 1 1 145.271 1.401 10 30 ADEEMO CC[N@H+]1CC[C@@H](S)C[C@@H]1C 73655858 167217782 /nfs/dbraw/zinc/21/77/82/167217782.db2.gz IIVMMSASJCKEDT-JGVFFNPUSA-N 1 1 159.298 1.789 10 30 ADEEMO CC[N@H+]1CC[C@@H](S)[C@H](C)C1 73653952 167219699 /nfs/dbraw/zinc/21/96/99/167219699.db2.gz UYBIHZNHMXUNAJ-HTQZYQBOSA-N 1 1 159.298 1.647 10 30 ADEEMO CC[N@H+]1CC[C@@H](CC#N)C1 84426123 167219736 /nfs/dbraw/zinc/21/97/36/167219736.db2.gz QKMYEKUXLYPHBG-MRVPVSSYSA-N 1 1 138.214 1.242 10 30 ADEEMO CC[N@H+]1CC[C@@H](S)[C@@H](C)C1 226857986 167220745 /nfs/dbraw/zinc/22/07/45/167220745.db2.gz UYBIHZNHMXUNAJ-JGVFFNPUSA-N 1 1 159.298 1.647 10 30 ADEEMO CC[N@H+]1CC[C@H](S)C[C@@H]1C 73655853 167221434 /nfs/dbraw/zinc/22/14/34/167221434.db2.gz IIVMMSASJCKEDT-YUMQZZPRSA-N 1 1 159.298 1.789 10 30 ADEEMO CC[N@H+]1CC[C@H](S)[C@@H](C)C1 226857992 167222773 /nfs/dbraw/zinc/22/27/73/167222773.db2.gz UYBIHZNHMXUNAJ-YUMQZZPRSA-N 1 1 159.298 1.647 10 30 ADEEMO CC[N@H+]1CC[C@H](CC#N)C1 84426122 167223894 /nfs/dbraw/zinc/22/38/94/167223894.db2.gz QKMYEKUXLYPHBG-QMMMGPOBSA-N 1 1 138.214 1.242 10 30 ADEEMO CC[N@H+]1CC[C@H](S)[C@H](C)C1 73653951 167224047 /nfs/dbraw/zinc/22/40/47/167224047.db2.gz UYBIHZNHMXUNAJ-SFYZADRCSA-N 1 1 159.298 1.647 10 30 ADEEMO CC[N@@H+]1Cc2ccc(C#N)cc2C1 58011884 167228595 /nfs/dbraw/zinc/22/85/95/167228595.db2.gz VESXNEWUJKKZRE-UHFFFAOYSA-N 1 1 172.231 1.894 10 30 ADEEMO CC[N@H+]1Cc2ccc(C#N)cc2C1 58011884 167228599 /nfs/dbraw/zinc/22/85/99/167228599.db2.gz VESXNEWUJKKZRE-UHFFFAOYSA-N 1 1 172.231 1.894 10 30 ADEEMO CC[C@@H]1CCCCC[N@H+]1C[C@H](N)C#N 134374305 343942071 /nfs/dbraw/zinc/94/20/71/343942071.db2.gz MDEBZPNMZMTUPM-GHMZBOCLSA-N 1 1 195.310 1.492 10 30 ADEEMO CCNC1(C#N)C[C@@H]2CC[C@H](C1)[N@H+]2C 20524116 167254778 /nfs/dbraw/zinc/25/47/78/167254778.db2.gz IJTUPVZQDZYJSQ-ZACCUICWSA-N 1 1 193.294 1.115 10 30 ADEEMO CCN[C@@H](C#N)Cn1c[nH+]c(C)c1C 51928048 167279805 /nfs/dbraw/zinc/27/98/05/167279805.db2.gz REIKNJIZXBMZJF-JTQLQIEISA-N 1 1 192.266 1.002 10 30 ADEEMO CCN[C@@](C)(C#N)CC[N@@H+](C)C(C)C 45179355 167293209 /nfs/dbraw/zinc/29/32/09/167293209.db2.gz MKCOSYMUZDHKOA-LLVKDONJSA-N 1 1 197.326 1.608 10 30 ADEEMO CCN[C@@](C)(C#N)CC[N@@H+](C)CC 45180062 167293355 /nfs/dbraw/zinc/29/33/55/167293355.db2.gz NZYOBRGGINQCIU-SNVBAGLBSA-N 1 1 183.299 1.220 10 30 ADEEMO CCN[C@@](C)(C#N)C[N@@H+]1CCC[C@@H]1C 45174597 167294324 /nfs/dbraw/zinc/29/43/24/167294324.db2.gz DQTYOMOUAHYBPF-QWRGUYRKSA-N 1 1 195.310 1.362 10 30 ADEEMO CCN[C@@](C)(C#N)C[N@H+]1CCC[C@@H]1C 45174597 167294326 /nfs/dbraw/zinc/29/43/26/167294326.db2.gz DQTYOMOUAHYBPF-QWRGUYRKSA-N 1 1 195.310 1.362 10 30 ADEEMO CCN[C@H](C#N)C[N@@H+]1CCC[C@@H]1CC 45282718 167294436 /nfs/dbraw/zinc/29/44/36/167294436.db2.gz RMADMDKGLPMKHV-MNOVXSKESA-N 1 1 195.310 1.362 10 30 ADEEMO CCN[C@H](C#N)C[N@H+]1CCC[C@@H]1CC 45282718 167294438 /nfs/dbraw/zinc/29/44/38/167294438.db2.gz RMADMDKGLPMKHV-MNOVXSKESA-N 1 1 195.310 1.362 10 30 ADEEMO CCN[C@H](C#N)Cn1c[nH+]c(C)c1C 51928047 167295104 /nfs/dbraw/zinc/29/51/04/167295104.db2.gz REIKNJIZXBMZJF-SNVBAGLBSA-N 1 1 192.266 1.002 10 30 ADEEMO CCN[C@](C)(C#N)C[N@@H+]1CCC[C@@H]1C 45174595 167305235 /nfs/dbraw/zinc/30/52/35/167305235.db2.gz DQTYOMOUAHYBPF-WDEREUQCSA-N 1 1 195.310 1.362 10 30 ADEEMO CCN[C@](C)(C#N)C[N@H+]1CCC[C@@H]1C 45174595 167305238 /nfs/dbraw/zinc/30/52/38/167305238.db2.gz DQTYOMOUAHYBPF-WDEREUQCSA-N 1 1 195.310 1.362 10 30 ADEEMO CCN[C@](C)(C#N)CC[N@@H+](C)C(C)C 45179353 167305399 /nfs/dbraw/zinc/30/53/99/167305399.db2.gz MKCOSYMUZDHKOA-NSHDSACASA-N 1 1 197.326 1.608 10 30 ADEEMO CCN[C@](C)(C#N)CC[N@@H+](C)CC 45180058 167305423 /nfs/dbraw/zinc/30/54/23/167305423.db2.gz NZYOBRGGINQCIU-JTQLQIEISA-N 1 1 183.299 1.220 10 30 ADEEMO CC[N@H+]1CCC[C@H](S)C1 73652169 167209178 /nfs/dbraw/zinc/20/91/78/167209178.db2.gz BNISDUXYQZTIEV-ZETCQYMHSA-N 1 1 145.271 1.401 10 30 ADEEMO CCOC(=O)N=CNc1c[nH]c[nH+]1 36459103 167322223 /nfs/dbraw/zinc/32/22/23/167322223.db2.gz LXHJNNVTAZALHT-UHFFFAOYSA-N 1 1 182.183 1.006 10 30 ADEEMO CCOC(=O)CC[N@H+](C)C[C@@H](C)C#N 42455944 167330224 /nfs/dbraw/zinc/33/02/24/167330224.db2.gz HOSQLGPABRJKLB-VIFPVBQESA-N 1 1 198.266 1.031 10 30 ADEEMO CCOC(=O)CC[N@@H+](C)C[C@@H](C)C#N 42455944 167330227 /nfs/dbraw/zinc/33/02/27/167330227.db2.gz HOSQLGPABRJKLB-VIFPVBQESA-N 1 1 198.266 1.031 10 30 ADEEMO CCOC(=O)CC[N@@H+](C)CCCC#N 50067159 167330712 /nfs/dbraw/zinc/33/07/12/167330712.db2.gz HAKIIQBSBFZTAS-UHFFFAOYSA-N 1 1 198.266 1.175 10 30 ADEEMO CCOC(=O)CC[N@H+](C)C[C@H](C)C#N 42455945 167331047 /nfs/dbraw/zinc/33/10/47/167331047.db2.gz HOSQLGPABRJKLB-SECBINFHSA-N 1 1 198.266 1.031 10 30 ADEEMO CCOC(=O)CC[N@@H+](C)C[C@H](C)C#N 42455945 167331049 /nfs/dbraw/zinc/33/10/49/167331049.db2.gz HOSQLGPABRJKLB-SECBINFHSA-N 1 1 198.266 1.031 10 30 ADEEMO CCOC(=O)C[C@H](C)[N@H+](C)CCC#N 43622490 167337065 /nfs/dbraw/zinc/33/70/65/167337065.db2.gz LWZYBZHABHFAKT-VIFPVBQESA-N 1 1 198.266 1.174 10 30 ADEEMO CCOC(=O)C[C@H](C)[N@@H+](C)CCC#N 43622490 167337066 /nfs/dbraw/zinc/33/70/66/167337066.db2.gz LWZYBZHABHFAKT-VIFPVBQESA-N 1 1 198.266 1.174 10 30 ADEEMO CCOC(=O)[C@@H](C)C[N@H+](C)CCC#N 43615114 167346061 /nfs/dbraw/zinc/34/60/61/167346061.db2.gz RLBJOWCDJARTKP-VIFPVBQESA-N 1 1 198.266 1.031 10 30 ADEEMO CCOC(=O)[C@@H](C)C[N@@H+](C)CCC#N 43615114 167346063 /nfs/dbraw/zinc/34/60/63/167346063.db2.gz RLBJOWCDJARTKP-VIFPVBQESA-N 1 1 198.266 1.031 10 30 ADEEMO CCOC(=O)[C@@H](C)[NH2+]CCCCC#N 49578556 167348891 /nfs/dbraw/zinc/34/88/91/167348891.db2.gz KUQJWPHXGCOGKZ-SECBINFHSA-N 1 1 198.266 1.221 10 30 ADEEMO CCOC(=O)[C@H](C)C[N@H+](C)CCC#N 43615115 167357590 /nfs/dbraw/zinc/35/75/90/167357590.db2.gz RLBJOWCDJARTKP-SECBINFHSA-N 1 1 198.266 1.031 10 30 ADEEMO CCOC(=O)[C@H](C)C[N@@H+](C)CCC#N 43615115 167357592 /nfs/dbraw/zinc/35/75/92/167357592.db2.gz RLBJOWCDJARTKP-SECBINFHSA-N 1 1 198.266 1.031 10 30 ADEEMO CCOC(=O)[C@H](C)[NH2+]CCCCC#N 49578557 167360030 /nfs/dbraw/zinc/36/00/30/167360030.db2.gz KUQJWPHXGCOGKZ-VIFPVBQESA-N 1 1 198.266 1.221 10 30 ADEEMO CCOC1CC[NH+](C[C@@H](C)C#N)CC1 40689417 167382220 /nfs/dbraw/zinc/38/22/20/167382220.db2.gz ZNOLKSGHNQFCAT-JTQLQIEISA-N 1 1 196.294 1.647 10 30 ADEEMO CCOC1CC[NH+]([C@H](C)CC#N)CC1 40689460 167382605 /nfs/dbraw/zinc/38/26/05/167382605.db2.gz YRWMNEGMIQNDRA-SNVBAGLBSA-N 1 1 196.294 1.789 10 30 ADEEMO CCOC1CC[NH+](C[C@H](C)C#N)CC1 40689418 167382621 /nfs/dbraw/zinc/38/26/21/167382621.db2.gz ZNOLKSGHNQFCAT-SNVBAGLBSA-N 1 1 196.294 1.647 10 30 ADEEMO CCOC1CC[NH+]([C@@H](C)CC#N)CC1 40689459 167383774 /nfs/dbraw/zinc/38/37/74/167383774.db2.gz YRWMNEGMIQNDRA-JTQLQIEISA-N 1 1 196.294 1.789 10 30 ADEEMO CCOCCC[N@@H+](C)C[C@H](C)C#N 49805922 167384570 /nfs/dbraw/zinc/38/45/70/167384570.db2.gz GOUBRRKIHIKMSH-SNVBAGLBSA-N 1 1 184.283 1.504 10 30 ADEEMO CCOCCC[C@@](C)([NH3+])C#N 45326741 167385212 /nfs/dbraw/zinc/38/52/12/167385212.db2.gz YRTIWIZGDXDOHD-MRVPVSSYSA-N 1 1 156.229 1.044 10 30 ADEEMO CCOCCC[N@@H+](C)C[C@@H](C)C#N 49805921 167385603 /nfs/dbraw/zinc/38/56/03/167385603.db2.gz GOUBRRKIHIKMSH-JTQLQIEISA-N 1 1 184.283 1.504 10 30 ADEEMO CCOCCCC[C@](C)([NH3+])C#N 45326691 167385981 /nfs/dbraw/zinc/38/59/81/167385981.db2.gz FMJYIMDXVLFHFT-VIFPVBQESA-N 1 1 170.256 1.434 10 30 ADEEMO CCOCCC[N@@H+](C)[C@@H](C)CC#N 49805923 167386902 /nfs/dbraw/zinc/38/69/02/167386902.db2.gz IEISRFQEOVLBDN-JTQLQIEISA-N 1 1 184.283 1.647 10 30 ADEEMO CCOCCC[N@@H+](C)[C@H](C)CC#N 49805924 167386943 /nfs/dbraw/zinc/38/69/43/167386943.db2.gz IEISRFQEOVLBDN-SNVBAGLBSA-N 1 1 184.283 1.647 10 30 ADEEMO CCOCCCC[C@@](C)([NH3+])C#N 45326693 167387032 /nfs/dbraw/zinc/38/70/32/167387032.db2.gz FMJYIMDXVLFHFT-SECBINFHSA-N 1 1 170.256 1.434 10 30 ADEEMO CCOCC[N@@H+]1CCCC[C@@H]1C=O 54237806 167387445 /nfs/dbraw/zinc/38/74/45/167387445.db2.gz JERXPZMUHKEFOR-SNVBAGLBSA-N 1 1 185.267 1.076 10 30 ADEEMO CCOCC[N@H+]1CCCC[C@@H]1C=O 54237806 167387446 /nfs/dbraw/zinc/38/74/46/167387446.db2.gz JERXPZMUHKEFOR-SNVBAGLBSA-N 1 1 185.267 1.076 10 30 ADEEMO CCOCC[N@@H+]1CCCC[C@H]1C=O 54237807 167388384 /nfs/dbraw/zinc/38/83/84/167388384.db2.gz JERXPZMUHKEFOR-JTQLQIEISA-N 1 1 185.267 1.076 10 30 ADEEMO CCOCC[N@H+]1CCCC[C@H]1C=O 54237807 167388387 /nfs/dbraw/zinc/38/83/87/167388387.db2.gz JERXPZMUHKEFOR-JTQLQIEISA-N 1 1 185.267 1.076 10 30 ADEEMO CCOCC[N@H+](CCC#N)C(C)C 42530692 167389190 /nfs/dbraw/zinc/38/91/90/167389190.db2.gz QQQFDFSRSDOJRZ-UHFFFAOYSA-N 1 1 184.283 1.647 10 30 ADEEMO CCOCC[N@@H+](CCC#N)C(C)C 42530692 167389193 /nfs/dbraw/zinc/38/91/93/167389193.db2.gz QQQFDFSRSDOJRZ-UHFFFAOYSA-N 1 1 184.283 1.647 10 30 ADEEMO CCOCCC[C@](C)([NH3+])C#N 45326739 167390445 /nfs/dbraw/zinc/39/04/45/167390445.db2.gz YRTIWIZGDXDOHD-QMMMGPOBSA-N 1 1 156.229 1.044 10 30 ADEEMO CCSCC[C@](C)([NH3+])C#N 45216816 167436675 /nfs/dbraw/zinc/43/66/75/167436675.db2.gz JZLFXMUSJCHPIM-ZETCQYMHSA-N 1 1 158.270 1.371 10 30 ADEEMO CC[C@@H](C)OCC[C@](C)([NH3+])C#N 45214025 167482300 /nfs/dbraw/zinc/48/23/00/167482300.db2.gz HQECARXDBCFJQW-BDAKNGLRSA-N 1 1 170.256 1.433 10 30 ADEEMO CC[C@H](CC#N)[N@H+](C)CCC(=O)OC 50068740 167637714 /nfs/dbraw/zinc/63/77/14/167637714.db2.gz MCKXDFDWKIVPTR-SECBINFHSA-N 1 1 198.266 1.174 10 30 ADEEMO CC[C@H](CC#N)[N@@H+](C)CCC(=O)OC 50068740 167637720 /nfs/dbraw/zinc/63/77/20/167637720.db2.gz MCKXDFDWKIVPTR-SECBINFHSA-N 1 1 198.266 1.174 10 30 ADEEMO CC[C@H](CC#N)N1CCC(C[NH3+])CC1 44514492 167638139 /nfs/dbraw/zinc/63/81/39/167638139.db2.gz NHNQVQQXLRNXEQ-LLVKDONJSA-N 1 1 195.310 1.349 10 30 ADEEMO CC[C@H](CC#N)[NH2+]C[C@@H](C)N(C)C 45107520 167639333 /nfs/dbraw/zinc/63/93/33/167639333.db2.gz RUJSHXJZYBXJNO-NXEZZACHSA-N 1 1 183.299 1.218 10 30 ADEEMO C[N@@H+](CC1(C=O)CCCC1)C1CC1 51176460 167868005 /nfs/dbraw/zinc/86/80/05/167868005.db2.gz ADWKEEVOKNXCAK-UHFFFAOYSA-N 1 1 181.279 1.840 10 30 ADEEMO CN(CCC#N)c1cc[nH+]cc1 19834362 167872377 /nfs/dbraw/zinc/87/23/77/167872377.db2.gz FDEYAOQQTSFXKX-UHFFFAOYSA-N 1 1 161.208 1.431 10 30 ADEEMO C[N@@H+](C[C@@](C)(N)C#N)C1CCCCC1 45175549 167885835 /nfs/dbraw/zinc/88/58/35/167885835.db2.gz HEGBMYLYUINRHP-NSHDSACASA-N 1 1 195.310 1.492 10 30 ADEEMO C[N@@H+](Cc1ccco1)CC(C)(C)C=O 51176779 167889232 /nfs/dbraw/zinc/88/92/32/167889232.db2.gz KPMAPCOYYBIOCZ-UHFFFAOYSA-N 1 1 195.262 1.937 10 30 ADEEMO C[N@H+]1CCC[C@@H]1CCC#N 39599696 167906309 /nfs/dbraw/zinc/90/63/09/167906309.db2.gz MGOLIPUHUVMVNO-QMMMGPOBSA-N 1 1 138.214 1.384 10 30 ADEEMO C[N@H+]1CC[C@@H]2CCC(=O)C=C2C1 83269771 167927364 /nfs/dbraw/zinc/92/73/64/167927364.db2.gz ANCJHELTGXYVMA-QMMMGPOBSA-N 1 1 165.236 1.227 10 30 ADEEMO CN[C@@H](C#N)C[NH+]1CCCCCCC1 45305902 168027595 /nfs/dbraw/zinc/02/75/95/168027595.db2.gz HLYYMLPGXUUXGO-NSHDSACASA-N 1 1 195.310 1.364 10 30 ADEEMO CN[C@@H](C#N)CCn1c[nH+]c(C)c1C 62440984 168028091 /nfs/dbraw/zinc/02/80/91/168028091.db2.gz OMDSKYOEIDOGGV-SNVBAGLBSA-N 1 1 192.266 1.002 10 30 ADEEMO CN[C@@H](C#N)C[N@H+](CC1CC1)C(C)C 45319601 168028398 /nfs/dbraw/zinc/02/83/98/168028398.db2.gz FWGDZMVINDZRNY-NSHDSACASA-N 1 1 195.310 1.218 10 30 ADEEMO CN[C@@H](C#N)C[N@@H+](CC1CC1)C(C)C 45319601 168028399 /nfs/dbraw/zinc/02/83/99/168028399.db2.gz FWGDZMVINDZRNY-NSHDSACASA-N 1 1 195.310 1.218 10 30 ADEEMO CN[C@@H](C#N)Cn1cc[nH+]c1C(C)C 45321119 168028891 /nfs/dbraw/zinc/02/88/91/168028891.db2.gz UDAMHGYVJYJVDS-VIFPVBQESA-N 1 1 192.266 1.118 10 30 ADEEMO CN[C@@H](C#N)C[N@H+](CC(C)C)C(C)C 45319339 168029065 /nfs/dbraw/zinc/02/90/65/168029065.db2.gz QOAGMVUBBMBUGW-NSHDSACASA-N 1 1 197.326 1.464 10 30 ADEEMO CN[C@@H](C#N)C[N@@H+](CC(C)C)C(C)C 45319339 168029068 /nfs/dbraw/zinc/02/90/68/168029068.db2.gz QOAGMVUBBMBUGW-NSHDSACASA-N 1 1 197.326 1.464 10 30 ADEEMO C[NH2+][C@@H](CC#N)c1ccccc1 55014746 168037287 /nfs/dbraw/zinc/03/72/87/168037287.db2.gz NDWVJABPAIKYCI-JTQLQIEISA-N 1 1 160.220 1.861 10 30 ADEEMO CC[C@@H](CC#N)[N@H+](CCO)C1CC1 42479239 167502219 /nfs/dbraw/zinc/50/22/19/167502219.db2.gz ZNEJBWPOWDUSCT-VIFPVBQESA-N 1 1 182.267 1.135 10 30 ADEEMO CC[C@@H](CC#N)[N@@H+](CCO)C1CC1 42479239 167502225 /nfs/dbraw/zinc/50/22/25/167502225.db2.gz ZNEJBWPOWDUSCT-VIFPVBQESA-N 1 1 182.267 1.135 10 30 ADEEMO CN[C@@](C)(C#N)Cn1c[nH+]c(C)c1C 51928010 168044490 /nfs/dbraw/zinc/04/44/90/168044490.db2.gz SDLDAHBNDWUIJE-JTQLQIEISA-N 1 1 192.266 1.002 10 30 ADEEMO CN[C@@](C)(C#N)C[NH+]1CCCCCC1 45175386 168045206 /nfs/dbraw/zinc/04/52/06/168045206.db2.gz YYDKHHCEOZHZNG-NSHDSACASA-N 1 1 195.310 1.364 10 30 ADEEMO C1CC[C@@H]2[C@@H](C1)CC[N@@H+]2C[C@@H]1CO1 134818241 343949664 /nfs/dbraw/zinc/94/96/64/343949664.db2.gz MJNFJSGETBCRKQ-HBNTYKKESA-N 1 1 181.279 1.650 10 30 ADEEMO CN[C@@](C)(C#N)C[N@H+](C)C1CCCC1 45175938 168045970 /nfs/dbraw/zinc/04/59/70/168045970.db2.gz YGKLRZPDRZLPKO-NSHDSACASA-N 1 1 195.310 1.362 10 30 ADEEMO CN[C@@](C)(C#N)C[N@@H+](C)C1CCCC1 45175938 168045971 /nfs/dbraw/zinc/04/59/71/168045971.db2.gz YGKLRZPDRZLPKO-NSHDSACASA-N 1 1 195.310 1.362 10 30 ADEEMO CN[C@@](C)(C#N)CC[N@@H+](C)C(C)C 45179351 168046299 /nfs/dbraw/zinc/04/62/99/168046299.db2.gz HONDXXOEUZVJIK-SNVBAGLBSA-N 1 1 183.299 1.218 10 30 ADEEMO CN[C@@](C)(C#N)CC[N@@H+](C)CC(C)C 45179825 168046345 /nfs/dbraw/zinc/04/63/45/168046345.db2.gz FFRPDTWDPUSAIY-LLVKDONJSA-N 1 1 197.326 1.466 10 30 ADEEMO CN[C@H](C#N)Cn1cc[nH+]c1C(C)C 45321116 168046608 /nfs/dbraw/zinc/04/66/08/168046608.db2.gz UDAMHGYVJYJVDS-SECBINFHSA-N 1 1 192.266 1.118 10 30 ADEEMO CN[C@H](C#N)CC[N@H+]1CCCC[C@@H]1C 62368759 168046640 /nfs/dbraw/zinc/04/66/40/168046640.db2.gz LBHKTTDJKCXZGR-QWRGUYRKSA-N 1 1 195.310 1.362 10 30 ADEEMO CN[C@H](C#N)C[N@H+](CC1CC1)C(C)C 45319597 168047253 /nfs/dbraw/zinc/04/72/53/168047253.db2.gz FWGDZMVINDZRNY-LLVKDONJSA-N 1 1 195.310 1.218 10 30 ADEEMO CN[C@H](C#N)C[N@@H+](CC1CC1)C(C)C 45319597 168047255 /nfs/dbraw/zinc/04/72/55/168047255.db2.gz FWGDZMVINDZRNY-LLVKDONJSA-N 1 1 195.310 1.218 10 30 ADEEMO CN[C@H](C#N)C[N@H+](CC(C)C)C(C)C 45319335 168047398 /nfs/dbraw/zinc/04/73/98/168047398.db2.gz QOAGMVUBBMBUGW-LLVKDONJSA-N 1 1 197.326 1.464 10 30 ADEEMO CN[C@H](C#N)C[N@@H+](CC(C)C)C(C)C 45319335 168047400 /nfs/dbraw/zinc/04/74/00/168047400.db2.gz QOAGMVUBBMBUGW-LLVKDONJSA-N 1 1 197.326 1.464 10 30 ADEEMO CN[C@H](C#N)CC[N@H+]1CCC[C@H](C)C1 62368957 168047462 /nfs/dbraw/zinc/04/74/62/168047462.db2.gz MDZPNCHVIVVSLK-QWRGUYRKSA-N 1 1 195.310 1.220 10 30 ADEEMO CN[C@H](C#N)C[NH+]1CCCCCCC1 45305901 168047481 /nfs/dbraw/zinc/04/74/81/168047481.db2.gz HLYYMLPGXUUXGO-LLVKDONJSA-N 1 1 195.310 1.364 10 30 ADEEMO CN[C@H](C#N)CC[N@H+]1CCCC[C@H]1C 62368757 168047494 /nfs/dbraw/zinc/04/74/94/168047494.db2.gz LBHKTTDJKCXZGR-MNOVXSKESA-N 1 1 195.310 1.362 10 30 ADEEMO CN[C@H](C#N)CCn1c[nH+]c(C)c1C 62440982 168047570 /nfs/dbraw/zinc/04/75/70/168047570.db2.gz OMDSKYOEIDOGGV-JTQLQIEISA-N 1 1 192.266 1.002 10 30 ADEEMO CN[C@H](C#N)CC[N@H+]1CCC[C@@H](C)C1 62368953 168047777 /nfs/dbraw/zinc/04/77/77/168047777.db2.gz MDZPNCHVIVVSLK-MNOVXSKESA-N 1 1 195.310 1.220 10 30 ADEEMO C[NH2+][C@H](CC#N)c1ccccc1 55014749 168051520 /nfs/dbraw/zinc/05/15/20/168051520.db2.gz NDWVJABPAIKYCI-SNVBAGLBSA-N 1 1 160.220 1.861 10 30 ADEEMO CN[C@](C)(C#N)CC[N@H+]1CCC[C@@H]1C 45178180 168060738 /nfs/dbraw/zinc/06/07/38/168060738.db2.gz MUXHYQSNKSKAPO-QWRGUYRKSA-N 1 1 195.310 1.362 10 30 ADEEMO CN[C@](C)(C#N)C[N@H+](C)C1CCCC1 45175940 168061044 /nfs/dbraw/zinc/06/10/44/168061044.db2.gz YGKLRZPDRZLPKO-LLVKDONJSA-N 1 1 195.310 1.362 10 30 ADEEMO CN[C@](C)(C#N)C[N@@H+](C)C1CCCC1 45175940 168061046 /nfs/dbraw/zinc/06/10/46/168061046.db2.gz YGKLRZPDRZLPKO-LLVKDONJSA-N 1 1 195.310 1.362 10 30 ADEEMO CN[C@](C)(C#N)CC[N@@H+](C)C(C)C 45179350 168061153 /nfs/dbraw/zinc/06/11/53/168061153.db2.gz HONDXXOEUZVJIK-JTQLQIEISA-N 1 1 183.299 1.218 10 30 ADEEMO CN[C@](C)(C#N)C[N@H+](C)[C@@H](C)C(C)C 45176267 168061343 /nfs/dbraw/zinc/06/13/43/168061343.db2.gz ZFEUGUVJUAUSSR-WDEREUQCSA-N 1 1 197.326 1.464 10 30 ADEEMO CN[C@](C)(C#N)C[N@@H+](C)[C@@H](C)C(C)C 45176267 168061345 /nfs/dbraw/zinc/06/13/45/168061345.db2.gz ZFEUGUVJUAUSSR-WDEREUQCSA-N 1 1 197.326 1.464 10 30 ADEEMO CN[C@](C)(C#N)Cn1c[nH+]c(C)c1C 51928009 168061583 /nfs/dbraw/zinc/06/15/83/168061583.db2.gz SDLDAHBNDWUIJE-SNVBAGLBSA-N 1 1 192.266 1.002 10 30 ADEEMO CN[C@](C)(C#N)C[NH+]1CCCCCC1 45175388 168061593 /nfs/dbraw/zinc/06/15/93/168061593.db2.gz YYDKHHCEOZHZNG-LLVKDONJSA-N 1 1 195.310 1.364 10 30 ADEEMO CN[C@](C)(C#N)CC[N@@H+](C)CC(C)C 45179823 168061791 /nfs/dbraw/zinc/06/17/91/168061791.db2.gz FFRPDTWDPUSAIY-NSHDSACASA-N 1 1 197.326 1.466 10 30 ADEEMO CN[C@](C)(C#N)C[N@H+](C)[C@@H](C)C1CC1 45176307 168062084 /nfs/dbraw/zinc/06/20/84/168062084.db2.gz NWNPFSLHTKVSPV-GXSJLCMTSA-N 1 1 195.310 1.218 10 30 ADEEMO CN[C@](C)(C#N)C[N@@H+](C)[C@@H](C)C1CC1 45176307 168062085 /nfs/dbraw/zinc/06/20/85/168062085.db2.gz NWNPFSLHTKVSPV-GXSJLCMTSA-N 1 1 195.310 1.218 10 30 ADEEMO CO[NH+]=C(N)c1ccc(C)cc1 82522640 168074885 /nfs/dbraw/zinc/07/48/85/168074885.db2.gz HFWRTPBRSUNMAV-UHFFFAOYSA-N 1 1 164.208 1.262 10 30 ADEEMO CO/N=C/C1=CCC[N@H+](C2CC2)C1 38817575 168075575 /nfs/dbraw/zinc/07/55/75/168075575.db2.gz KQUONAGZKXQKST-YRNVUSSQSA-N 1 1 180.251 1.413 10 30 ADEEMO COC(=O)CCC[N@@H+](C)CCCC#N 50064983 168085072 /nfs/dbraw/zinc/08/50/72/168085072.db2.gz NGOIKTFPKCEDOG-UHFFFAOYSA-N 1 1 198.266 1.175 10 30 ADEEMO COC(=O)CC[N@H+](CCC#N)C(C)C 42529441 168087964 /nfs/dbraw/zinc/08/79/64/168087964.db2.gz HLGQEKVSOBEHFQ-UHFFFAOYSA-N 1 1 198.266 1.174 10 30 ADEEMO COC(=O)CC[N@@H+](CCC#N)C(C)C 42529441 168087966 /nfs/dbraw/zinc/08/79/66/168087966.db2.gz HLGQEKVSOBEHFQ-UHFFFAOYSA-N 1 1 198.266 1.174 10 30 ADEEMO COC(=O)CC[N@@H+](C)CCCCC#N 50068714 168088056 /nfs/dbraw/zinc/08/80/56/168088056.db2.gz RVTZLCCHHHWFAK-UHFFFAOYSA-N 1 1 198.266 1.175 10 30 ADEEMO COC(=O)C[C@@H](C)[N@H+](C)C[C@@H](C)C#N 42455979 168095436 /nfs/dbraw/zinc/09/54/36/168095436.db2.gz GLIWEVXDRVQHOI-DTWKUNHWSA-N 1 1 198.266 1.029 10 30 ADEEMO COC(=O)C[C@@H](C)[N@@H+](C)C[C@@H](C)C#N 42455979 168095438 /nfs/dbraw/zinc/09/54/38/168095438.db2.gz GLIWEVXDRVQHOI-DTWKUNHWSA-N 1 1 198.266 1.029 10 30 ADEEMO COC(=O)C[C@H](C)[N@H+](C)C[C@@H](C)C#N 42455978 168095673 /nfs/dbraw/zinc/09/56/73/168095673.db2.gz GLIWEVXDRVQHOI-IUCAKERBSA-N 1 1 198.266 1.029 10 30 ADEEMO COC(=O)C[C@H](C)[N@@H+](C)C[C@@H](C)C#N 42455978 168095676 /nfs/dbraw/zinc/09/56/76/168095676.db2.gz GLIWEVXDRVQHOI-IUCAKERBSA-N 1 1 198.266 1.029 10 30 ADEEMO COC(=O)[C@H](C)C[N@H+](C)[C@@H](C)CC#N 50068814 168118148 /nfs/dbraw/zinc/11/81/48/168118148.db2.gz DNNBNKRSEBYMPX-BDAKNGLRSA-N 1 1 198.266 1.029 10 30 ADEEMO COC(=O)[C@H](C)C[N@@H+](C)[C@@H](C)CC#N 50068814 168118150 /nfs/dbraw/zinc/11/81/50/168118150.db2.gz DNNBNKRSEBYMPX-BDAKNGLRSA-N 1 1 198.266 1.029 10 30 ADEEMO COC(C)(C)C[C@](C)([NH3+])C#N 20524838 168140865 /nfs/dbraw/zinc/14/08/65/168140865.db2.gz WWHLGOBUCOWPEM-QMMMGPOBSA-N 1 1 156.229 1.042 10 30 ADEEMO COC(C)(C)C[C@@](C)([NH3+])C#N 20524837 168140966 /nfs/dbraw/zinc/14/09/66/168140966.db2.gz WWHLGOBUCOWPEM-MRVPVSSYSA-N 1 1 156.229 1.042 10 30 ADEEMO COC1CC[NH+](C[C@@H](C)C#N)CC1 37250439 168145533 /nfs/dbraw/zinc/14/55/33/168145533.db2.gz UDYPDKWKAFMVBO-VIFPVBQESA-N 1 1 182.267 1.257 10 30 ADEEMO COC1CC[NH+]([C@H](C)CC#N)CC1 48246761 168146003 /nfs/dbraw/zinc/14/60/03/168146003.db2.gz ANKBUXZJZLRFMK-SECBINFHSA-N 1 1 182.267 1.399 10 30 ADEEMO COC1CC[NH+](CCC#N)CC1 37250371 168146028 /nfs/dbraw/zinc/14/60/28/168146028.db2.gz DPRGVSJOVUZBMB-UHFFFAOYSA-N 1 1 168.240 1.011 10 30 ADEEMO COC1CC[NH+](C[C@H](C)C#N)CC1 37250437 168146056 /nfs/dbraw/zinc/14/60/56/168146056.db2.gz UDYPDKWKAFMVBO-SECBINFHSA-N 1 1 182.267 1.257 10 30 ADEEMO COC1CC[NH+]([C@@H](C)CC#N)CC1 48246758 168146170 /nfs/dbraw/zinc/14/61/70/168146170.db2.gz ANKBUXZJZLRFMK-VIFPVBQESA-N 1 1 182.267 1.399 10 30 ADEEMO COCCCC[C@](C)([NH3+])C#N 45326623 168153377 /nfs/dbraw/zinc/15/33/77/168153377.db2.gz DSJAMHSYKNPEOW-QMMMGPOBSA-N 1 1 156.229 1.044 10 30 ADEEMO COCCC[N@H+](CCC#N)C1CC1 42549272 168153403 /nfs/dbraw/zinc/15/34/03/168153403.db2.gz VBXJIRCOTQKFEU-UHFFFAOYSA-N 1 1 182.267 1.401 10 30 ADEEMO COCCC[N@@H+](CCC#N)C1CC1 42549272 168153407 /nfs/dbraw/zinc/15/34/07/168153407.db2.gz VBXJIRCOTQKFEU-UHFFFAOYSA-N 1 1 182.267 1.401 10 30 ADEEMO COCCC[N@@H+](CCC#N)C(C)C 42530752 168154622 /nfs/dbraw/zinc/15/46/22/168154622.db2.gz NEFUAHHJCHVFRS-UHFFFAOYSA-N 1 1 184.283 1.647 10 30 ADEEMO COCCCC[C@@](C)([NH3+])C#N 45326621 168155001 /nfs/dbraw/zinc/15/50/01/168155001.db2.gz DSJAMHSYKNPEOW-MRVPVSSYSA-N 1 1 156.229 1.044 10 30 ADEEMO COCC[N@@H+](C)CC1(C=O)CCCC1 51179584 168158868 /nfs/dbraw/zinc/15/88/68/168158868.db2.gz AUNLNQYKBZWHNT-UHFFFAOYSA-N 1 1 199.294 1.324 10 30 ADEEMO COCC[N@H+](C)[C@H]1CCC[C@@H]1C#N 42459240 168159949 /nfs/dbraw/zinc/15/99/49/168159949.db2.gz OSBZSXJNMQAHHF-ZJUUUORDSA-N 1 1 182.267 1.257 10 30 ADEEMO COCC[N@@H+](C)[C@H]1CCC[C@@H]1C#N 42459240 168159951 /nfs/dbraw/zinc/15/99/51/168159951.db2.gz OSBZSXJNMQAHHF-ZJUUUORDSA-N 1 1 182.267 1.257 10 30 ADEEMO COCC[N@@H+](CCCCC#N)C1CC1 49579462 168160481 /nfs/dbraw/zinc/16/04/81/168160481.db2.gz OBHNKVYYFSOLHO-UHFFFAOYSA-N 1 1 196.294 1.791 10 30 ADEEMO COCC[N@@H+](CC(C)C)C[C@@H](C)C#N 42369016 168160637 /nfs/dbraw/zinc/16/06/37/168160637.db2.gz PSJOUXIWBOJAGB-NSHDSACASA-N 1 1 198.310 1.750 10 30 ADEEMO COCC[N@@H+](CC(C)C)C[C@H](C)C#N 42369019 168160761 /nfs/dbraw/zinc/16/07/61/168160761.db2.gz PSJOUXIWBOJAGB-LLVKDONJSA-N 1 1 198.310 1.750 10 30 ADEEMO COCC[N@H+](CCC#N)C(C)C 42530684 168160835 /nfs/dbraw/zinc/16/08/35/168160835.db2.gz MPBRBMLMOPIWGD-UHFFFAOYSA-N 1 1 170.256 1.257 10 30 ADEEMO COCC[N@@H+](CCC#N)C(C)C 42530684 168160836 /nfs/dbraw/zinc/16/08/36/168160836.db2.gz MPBRBMLMOPIWGD-UHFFFAOYSA-N 1 1 170.256 1.257 10 30 ADEEMO COCC[N@@H+](C)[C@H]1CCCC[C@@H]1C#N 42459236 168161481 /nfs/dbraw/zinc/16/14/81/168161481.db2.gz AOPOCSATLVSMBN-MNOVXSKESA-N 1 1 196.294 1.647 10 30 ADEEMO COCC[N@@H+](CC(C)C)[C@@H](C)CC#N 42369102 168161853 /nfs/dbraw/zinc/16/18/53/168161853.db2.gz KBIKVALJCXGXGQ-NSHDSACASA-N 1 1 198.310 1.893 10 30 ADEEMO COCC[N@H+](C)[C@@H]1CCC[C@@H]1C#N 42459238 168161926 /nfs/dbraw/zinc/16/19/26/168161926.db2.gz OSBZSXJNMQAHHF-NXEZZACHSA-N 1 1 182.267 1.257 10 30 ADEEMO COCC[N@@H+](C)[C@@H]1CCC[C@@H]1C#N 42459238 168161928 /nfs/dbraw/zinc/16/19/28/168161928.db2.gz OSBZSXJNMQAHHF-NXEZZACHSA-N 1 1 182.267 1.257 10 30 ADEEMO COCC[N@@H+](CC(C)(C)C=O)C1CC1 51178646 168162104 /nfs/dbraw/zinc/16/21/04/168162104.db2.gz WEGUKLFBHQHYDL-UHFFFAOYSA-N 1 1 199.294 1.322 10 30 ADEEMO COCC[N@@H+](CC(C)C)[C@H](C)CC#N 42369105 168162121 /nfs/dbraw/zinc/16/21/21/168162121.db2.gz KBIKVALJCXGXGQ-LLVKDONJSA-N 1 1 198.310 1.893 10 30 ADEEMO COCC[N@@H+](C)[C@@H]1CCCC[C@@H]1C#N 42459234 168162177 /nfs/dbraw/zinc/16/21/77/168162177.db2.gz AOPOCSATLVSMBN-GHMZBOCLSA-N 1 1 196.294 1.647 10 30 ADEEMO C=CC(=O)[C@H]1Cc2ccccc2C[NH2+]1 135403272 343961697 /nfs/dbraw/zinc/96/16/97/343961697.db2.gz BSCRYIVHFBCBGU-LLVKDONJSA-N 1 1 187.242 1.456 10 30 ADEEMO C=C(C)C(=O)[C@@H]([NH3+])c1ccccc1 135403909 343961715 /nfs/dbraw/zinc/96/17/15/343961715.db2.gz CMDUUIWXSDCGJU-JTQLQIEISA-N 1 1 175.231 1.832 10 30 ADEEMO COC[C@@H](C)[N@@H+](C)CCCCC#N 49579461 168180396 /nfs/dbraw/zinc/18/03/96/168180396.db2.gz XJPPKQADAAVFOP-SNVBAGLBSA-N 1 1 184.283 1.647 10 30 ADEEMO COC[C@@H](C)[N@@H+](C)CC(C)(C)C=O 51178021 168181992 /nfs/dbraw/zinc/18/19/92/168181992.db2.gz IMUHEGOKRSYHJK-SECBINFHSA-N 1 1 187.283 1.178 10 30 ADEEMO COC[C@H](C)[N@@H+](C)CCCCC#N 49579460 168187311 /nfs/dbraw/zinc/18/73/11/168187311.db2.gz XJPPKQADAAVFOP-JTQLQIEISA-N 1 1 184.283 1.647 10 30 ADEEMO COC[C@H](C)[N@@H+](C)CC(C)(C)C=O 51178019 168188193 /nfs/dbraw/zinc/18/81/93/168188193.db2.gz IMUHEGOKRSYHJK-VIFPVBQESA-N 1 1 187.283 1.178 10 30 ADEEMO COc1ccc(/C(=N/O)[C@@H](C)[NH3+])cc1 27201915 168243038 /nfs/dbraw/zinc/24/30/38/168243038.db2.gz GFGPLYRCOSBGDL-SHHDITTOSA-N 1 1 194.234 1.221 10 30 ADEEMO COc1ccc(/C(=N/O)[C@H](C)[NH3+])cc1 27201921 168243500 /nfs/dbraw/zinc/24/35/00/168243500.db2.gz GFGPLYRCOSBGDL-RMOXJXDMSA-N 1 1 194.234 1.221 10 30 ADEEMO COc1ccc([C@@H]([NH3+])CC#N)cc1 71497033 168258149 /nfs/dbraw/zinc/25/81/49/168258149.db2.gz XUXIWRVFCJZXKR-JTQLQIEISA-N 1 1 176.219 1.609 10 30 ADEEMO COc1ccc([C@H]([NH3+])CC#N)cc1 71497032 168259901 /nfs/dbraw/zinc/25/99/01/168259901.db2.gz XUXIWRVFCJZXKR-SNVBAGLBSA-N 1 1 176.219 1.609 10 30 ADEEMO COc1ccc2c(c1)CC[NH2+][C@H]2C=O 83665920 168261687 /nfs/dbraw/zinc/26/16/87/168261687.db2.gz RVEMJQZOCJXTNK-NSHDSACASA-N 1 1 191.230 1.081 10 30 ADEEMO COc1ccc2c(c1)CC[NH2+][C@@H]2C=O 83665919 168262475 /nfs/dbraw/zinc/26/24/75/168262475.db2.gz RVEMJQZOCJXTNK-LLVKDONJSA-N 1 1 191.230 1.081 10 30 ADEEMO COc1ccc2c(c1)[C@H](C=O)[NH2+]CC2 83695766 168263714 /nfs/dbraw/zinc/26/37/14/168263714.db2.gz YMLANNHCZSEZOR-NSHDSACASA-N 1 1 191.230 1.081 10 30 ADEEMO COc1ccc2c(c1)[C@@H](C=O)[NH2+]CC2 83695769 168263941 /nfs/dbraw/zinc/26/39/41/168263941.db2.gz YMLANNHCZSEZOR-LLVKDONJSA-N 1 1 191.230 1.081 10 30 ADEEMO COc1cccc2c1CC[NH2+][C@@H]2C=O 83665527 168274274 /nfs/dbraw/zinc/27/42/74/168274274.db2.gz UYASKSMQYBNTHA-SNVBAGLBSA-N 1 1 191.230 1.081 10 30 ADEEMO COc1cccc2c1CC[NH2+][C@H]2C=O 83665528 168274727 /nfs/dbraw/zinc/27/47/27/168274727.db2.gz UYASKSMQYBNTHA-JTQLQIEISA-N 1 1 191.230 1.081 10 30 ADEEMO CSCCCC[C@](C)([NH3+])C#N 45366414 168299865 /nfs/dbraw/zinc/29/98/65/168299865.db2.gz XGHUOIPKDLTFKU-QMMMGPOBSA-N 1 1 172.297 1.761 10 30 ADEEMO CSCCCC[C@@](C)([NH3+])C#N 45366412 168299879 /nfs/dbraw/zinc/29/98/79/168299879.db2.gz XGHUOIPKDLTFKU-MRVPVSSYSA-N 1 1 172.297 1.761 10 30 ADEEMO CSCCC[C@](C)([NH3+])C#N 45366484 168299925 /nfs/dbraw/zinc/29/99/25/168299925.db2.gz COSQDUFPJJRYCA-ZETCQYMHSA-N 1 1 158.270 1.371 10 30 ADEEMO CSCCC[C@@](C)([NH3+])C#N 45366480 168300506 /nfs/dbraw/zinc/30/05/06/168300506.db2.gz COSQDUFPJJRYCA-SSDOTTSWSA-N 1 1 158.270 1.371 10 30 ADEEMO C[C@@H](/C(N)=N/O)[N@@H+](C)C1CCCCC1 43515852 168318668 /nfs/dbraw/zinc/31/86/68/168318668.db2.gz DQGKKMOQBJHCBE-QMMMGPOBSA-N 1 1 199.298 1.386 10 30 ADEEMO C[C@@H](C#N)C[N@@H+](C)C1CCOCC1 36321136 168319065 /nfs/dbraw/zinc/31/90/65/168319065.db2.gz BFSZVJGWLBODIM-VIFPVBQESA-N 1 1 182.267 1.257 10 30 ADEEMO C[C@@H](C#N)CN(C)c1cc[nH+]cc1N 42455101 168319588 /nfs/dbraw/zinc/31/95/88/168319588.db2.gz QYLIEDWVACEOAY-QMMMGPOBSA-N 1 1 190.250 1.260 10 30 ADEEMO C[C@@H](C#N)C[N@@H+](C)[C@@H]1CCSC1 37174846 168319774 /nfs/dbraw/zinc/31/97/74/168319774.db2.gz CFWYMZRKDBZMGW-DTWKUNHWSA-N 1 1 184.308 1.583 10 30 ADEEMO C[C@@H](C#N)C[N@@H+](C)C(C)(C)C 49804604 168319933 /nfs/dbraw/zinc/31/99/33/168319933.db2.gz OWXVYHVYVLVZNE-QMMMGPOBSA-N 1 1 154.257 1.876 10 30 ADEEMO C[C@@H](C#N)C[N@H+](C)C1CC1 37081100 168320628 /nfs/dbraw/zinc/32/06/28/168320628.db2.gz UCUJWRGOKZONDR-ZETCQYMHSA-N 1 1 138.214 1.240 10 30 ADEEMO C[C@@H](C#N)C[N@@H+](C)C1CC1 37081100 168320630 /nfs/dbraw/zinc/32/06/30/168320630.db2.gz UCUJWRGOKZONDR-ZETCQYMHSA-N 1 1 138.214 1.240 10 30 ADEEMO C[C@@H](C#N)CN(C)c1cc[nH+]cc1 42461313 168320670 /nfs/dbraw/zinc/32/06/70/168320670.db2.gz BCCPLRDMTCHBCN-VIFPVBQESA-N 1 1 175.235 1.677 10 30 ADEEMO C[C@@H](C#N)C[N@H+]1CCCC[C@@H]1CCO 31945850 168320683 /nfs/dbraw/zinc/32/06/83/168320683.db2.gz PYOCVNIGBASJPQ-WDEREUQCSA-N 1 1 196.294 1.383 10 30 ADEEMO C[C@@H](C#N)C[N@H+]1CC=CCC1 75423203 168320732 /nfs/dbraw/zinc/32/07/32/168320732.db2.gz KDDPBLUVPWNRNC-VIFPVBQESA-N 1 1 150.225 1.408 10 30 ADEEMO C[C@@H](C#N)C[N@@H+]1CC=CCC1 75423203 168320734 /nfs/dbraw/zinc/32/07/34/168320734.db2.gz KDDPBLUVPWNRNC-VIFPVBQESA-N 1 1 150.225 1.408 10 30 ADEEMO C[C@@H](C#N)C[N@H+]1CCC[C@@H](C)C1 31945853 168320792 /nfs/dbraw/zinc/32/07/92/168320792.db2.gz HIBQDDVJOOBRHA-ZJUUUORDSA-N 1 1 166.268 1.878 10 30 ADEEMO C[C@@H](C#N)C[NH2+]CCN1CCCCC1 49575129 168320916 /nfs/dbraw/zinc/32/09/16/168320916.db2.gz MYJVLIKBVQWWRA-NSHDSACASA-N 1 1 195.310 1.222 10 30 ADEEMO C[C@@H](C#N)C[N@@H+](CCO)C1CCCC1 42505838 168320925 /nfs/dbraw/zinc/32/09/25/168320925.db2.gz XSYAUKMVTQBSHI-JTQLQIEISA-N 1 1 196.294 1.383 10 30 ADEEMO C[C@@H](C#N)C[NH2+][C@H](C)c1ccncc1 35122393 168321877 /nfs/dbraw/zinc/32/18/77/168321877.db2.gz SURBWCDDXCLEDU-VHSXEESVSA-N 1 1 189.262 1.892 10 30 ADEEMO C[C@@H](C#N)C[NH2+]Cc1ccc[nH]1 54181553 168321914 /nfs/dbraw/zinc/32/19/14/168321914.db2.gz FSHKBYBRACYIID-QMMMGPOBSA-N 1 1 163.224 1.264 10 30 ADEEMO C[C@@H](C#N)CNC[C@@H]1CCC[N@@H+](C)C1 44536533 168322110 /nfs/dbraw/zinc/32/21/10/168322110.db2.gz ZSCXPIMXZAKWET-QWRGUYRKSA-N 1 1 195.310 1.077 10 30 ADEEMO C[C@@H](C#N)N1CC[N@H+]2CCCC[C@H]2C1 251026870 168322144 /nfs/dbraw/zinc/32/21/44/168322144.db2.gz HVQFWGIUVZTGFR-QWRGUYRKSA-N 1 1 193.294 1.069 10 30 ADEEMO C[C@@H](C#N)CNC[C@@H]1CCCC[N@H+]1C 44562357 168322153 /nfs/dbraw/zinc/32/21/53/168322153.db2.gz VCAMROWCFDJPRK-QWRGUYRKSA-N 1 1 195.310 1.220 10 30 ADEEMO C[C@@H](C#N)C[NH2+]C[C@@H]1CCCCN1C 44562357 168322154 /nfs/dbraw/zinc/32/21/54/168322154.db2.gz VCAMROWCFDJPRK-QWRGUYRKSA-N 1 1 195.310 1.220 10 30 ADEEMO C[C@@H](C#N)C[NH2+][C@H](C)c1cccnc1 35692086 168322289 /nfs/dbraw/zinc/32/22/89/168322289.db2.gz BNHOXTPHISPJTB-VHSXEESVSA-N 1 1 189.262 1.892 10 30 ADEEMO C[C@@H](C#N)CNC[C@H]1CCC[N@@H+](C)C1 44536537 168322760 /nfs/dbraw/zinc/32/27/60/168322760.db2.gz ZSCXPIMXZAKWET-WDEREUQCSA-N 1 1 195.310 1.077 10 30 ADEEMO C[C@@H](C/C(N)=N/O)[N@H+]1CCC[C@@H](C)C1 48257622 168330299 /nfs/dbraw/zinc/33/02/99/168330299.db2.gz CRXXJDDDFUOLGM-BDAKNGLRSA-N 1 1 199.298 1.243 10 30 ADEEMO C[C@@H](CC#N)[N@H+](C)C1CC1 21404955 168330770 /nfs/dbraw/zinc/33/07/70/168330770.db2.gz IAGQGJSNOXHMPC-ZETCQYMHSA-N 1 1 138.214 1.383 10 30 ADEEMO C[C@@H](CC#N)[N@@H+](C)C1CC1 21404955 168330772 /nfs/dbraw/zinc/33/07/72/168330772.db2.gz IAGQGJSNOXHMPC-ZETCQYMHSA-N 1 1 138.214 1.383 10 30 ADEEMO C[C@@H](CC#N)[N@@H+](C)C1CCOCC1 48246898 168331083 /nfs/dbraw/zinc/33/10/83/168331083.db2.gz RPOQEMOJIBGPAD-VIFPVBQESA-N 1 1 182.267 1.399 10 30 ADEEMO C[C@@H](C1CC1)[N@@H+](C)CC(C)(C)C=O 51177038 168331199 /nfs/dbraw/zinc/33/11/99/168331199.db2.gz ZLYQUQSFQKEGHP-VIFPVBQESA-N 1 1 183.295 1.942 10 30 ADEEMO C[C@@H](CC#N)[N@@H+](C)CCCCC#N 63086270 168331239 /nfs/dbraw/zinc/33/12/39/168331239.db2.gz COFCKPCTDYEEKL-JTQLQIEISA-N 1 1 179.267 1.914 10 30 ADEEMO C[C@@H](C1CC1)[N@@H+](C)C[C@@H]1CO1 36785266 168331642 /nfs/dbraw/zinc/33/16/42/168331642.db2.gz XLIWTRVEIVHFJW-IONNQARKSA-N 1 1 155.241 1.116 10 30 ADEEMO C[C@@H](C1CC1)[N@H+](C)C[C@@H](C)C#N 35207522 168332389 /nfs/dbraw/zinc/33/23/89/168332389.db2.gz FOPLFXLYMPWUNB-IUCAKERBSA-N 1 1 166.268 1.876 10 30 ADEEMO C[C@@H](CC#N)[N@@H+](C)[C@@H]1CCSC1 48246753 168332627 /nfs/dbraw/zinc/33/26/27/168332627.db2.gz IHUJFVBXMAVUMI-DTWKUNHWSA-N 1 1 184.308 1.726 10 30 ADEEMO C[C@@H](CC#N)[N@H+]1CCC[C@@H]1C 37910816 168333139 /nfs/dbraw/zinc/33/31/39/168333139.db2.gz PVXNIWHNRWZEDQ-IUCAKERBSA-N 1 1 152.241 1.773 10 30 ADEEMO C[C@@H](CC#N)NC[C@@H]1CCC[N@@H+](C)C1 44536676 168333730 /nfs/dbraw/zinc/33/37/30/168333730.db2.gz HZLDUWAGYJPVLP-QWRGUYRKSA-N 1 1 195.310 1.220 10 30 ADEEMO C[C@@H](CC#N)[NH2+]Cc1ccc(C#N)cc1 37749128 168333802 /nfs/dbraw/zinc/33/38/02/168333802.db2.gz MDRXVZPGPYJCLA-JTQLQIEISA-N 1 1 199.257 1.950 10 30 ADEEMO C[C@@H](CC#N)[N@@H+](CCO)C1CCCC1 42505941 168334638 /nfs/dbraw/zinc/33/46/38/168334638.db2.gz QIIVRUPANIOBGK-JTQLQIEISA-N 1 1 196.294 1.525 10 30 ADEEMO C[C@@H](CC#N)NC[C@H]1CCC[N@@H+](C)C1 44536680 168334683 /nfs/dbraw/zinc/33/46/83/168334683.db2.gz HZLDUWAGYJPVLP-WDEREUQCSA-N 1 1 195.310 1.220 10 30 ADEEMO C[C@@H](CCN(C)C)[NH2+]CCCCC#N 49578580 168337814 /nfs/dbraw/zinc/33/78/14/168337814.db2.gz PBRCCKBHGABKBF-NSHDSACASA-N 1 1 197.326 1.610 10 30 ADEEMO C[C@@H](CCN(C)C)[NH2+]CCCC#N 49557699 168337974 /nfs/dbraw/zinc/33/79/74/168337974.db2.gz DBQFVJCNIKXBCH-JTQLQIEISA-N 1 1 183.299 1.220 10 30 ADEEMO C[C@@H]([N@@H+](C)CC=O)C(C)(C)C 43803579 168355524 /nfs/dbraw/zinc/35/55/24/168355524.db2.gz NNCLVBDNAKSASC-MRVPVSSYSA-N 1 1 157.257 1.552 10 30 ADEEMO C[C@@H]([N@@H+](C)C[C@@H]1CO1)C(C)(C)C 42763591 168355990 /nfs/dbraw/zinc/35/59/90/168355990.db2.gz SDXULFJXGYLCCQ-RKDXNWHRSA-N 1 1 171.284 1.752 10 30 ADEEMO C[C@@H]([NH2+]CCC#N)c1ccc(O)cc1 20199533 168381137 /nfs/dbraw/zinc/38/11/37/168381137.db2.gz XZQAQYNKTAWUMN-SECBINFHSA-N 1 1 190.246 1.956 10 30 ADEEMO C[C@@H](NCCC#N)[C@H]1CCC[N@@H+](C)C1 37221668 168381269 /nfs/dbraw/zinc/38/12/69/168381269.db2.gz HMJRAHRYJCRNFK-MNOVXSKESA-N 1 1 195.310 1.220 10 30 ADEEMO C[C@@H]([NH2+]CCC#N)c1ccncc1 20199583 168381687 /nfs/dbraw/zinc/38/16/87/168381687.db2.gz OWPDPXWPOSAEJV-SECBINFHSA-N 1 1 175.235 1.646 10 30 ADEEMO C[C@@H](NCCC#N)[C@@H]1CCC[N@@H+](C)C1 37221666 168382324 /nfs/dbraw/zinc/38/23/24/168382324.db2.gz HMJRAHRYJCRNFK-GHMZBOCLSA-N 1 1 195.310 1.220 10 30 ADEEMO C[C@@H](O)C[N@@H+](C)CC1(C=O)CCCC1 51840325 168391954 /nfs/dbraw/zinc/39/19/54/168391954.db2.gz QNQCKGOORDQMHZ-SNVBAGLBSA-N 1 1 199.294 1.058 10 30 ADEEMO C[C@@H]1CCCC[C@]1([NH3+])C#N 22171587 168416854 /nfs/dbraw/zinc/41/68/54/168416854.db2.gz XLANTDJWMAKCLI-SFYZADRCSA-N 1 1 138.214 1.418 10 30 ADEEMO C[C@@H]1CCC[N@H+]1CC(C)(C)C=O 51174973 168421372 /nfs/dbraw/zinc/42/13/72/168421372.db2.gz JNPXHZXRLGXADG-SECBINFHSA-N 1 1 169.268 1.696 10 30 ADEEMO C[C@@]([NH3+])(C#N)CCCOC1CCCC1 45326522 168494051 /nfs/dbraw/zinc/49/40/51/168494051.db2.gz YPSIQEDWIZTEQI-NSHDSACASA-N 1 1 196.294 1.967 10 30 ADEEMO C[C@H](C#N)C[NH2+][C@H](C)c1ccncc1 35122392 168509109 /nfs/dbraw/zinc/50/91/09/168509109.db2.gz SURBWCDDXCLEDU-NXEZZACHSA-N 1 1 189.262 1.892 10 30 ADEEMO C[C@H](C#N)C[N@H+]1CCCC[C@@H]1CCO 31945849 168510097 /nfs/dbraw/zinc/51/00/97/168510097.db2.gz PYOCVNIGBASJPQ-GHMZBOCLSA-N 1 1 196.294 1.383 10 30 ADEEMO C[C@H](C#N)C[NH2+][C@@H](C)c1ccncc1 35122390 168510164 /nfs/dbraw/zinc/51/01/64/168510164.db2.gz SURBWCDDXCLEDU-ZJUUUORDSA-N 1 1 189.262 1.892 10 30 ADEEMO C[C@H]1CCCC[N@H+]1CCCNCC#N 20047876 168599416 /nfs/dbraw/zinc/59/94/16/168599416.db2.gz SXNGYBYVXFGLRF-NSHDSACASA-N 1 1 195.310 1.364 10 30 ADEEMO C[C@H]1CCC[N@@H+](CC=O)[C@@H]1C 50565764 168603695 /nfs/dbraw/zinc/60/36/95/168603695.db2.gz ARWNAXXCMSOTKV-DTWKUNHWSA-N 1 1 155.241 1.306 10 30 ADEEMO C[C@H]1CCC[C@@H]([N@@H+](C)C[C@@H]2CO2)C1 42492931 168609005 /nfs/dbraw/zinc/60/90/05/168609005.db2.gz UCINZEOSQLMRJS-HBNTYKKESA-N 1 1 183.295 1.896 10 30 ADEEMO C[C@H]1CC[N@@H+](CC(C)(C)C=O)C1 51177636 168616369 /nfs/dbraw/zinc/61/63/69/168616369.db2.gz CCHVMNBAAGECPT-VIFPVBQESA-N 1 1 169.268 1.553 10 30 ADEEMO Cc1[nH+]ccn1C[C@@H](C)C#N 36986605 168973479 /nfs/dbraw/zinc/97/34/79/168973479.db2.gz OCQCUXCTQBAABS-ZETCQYMHSA-N 1 1 149.197 1.351 10 30 ADEEMO Cc1[nH+]cn(CC[C@@](C)(N)C#N)c1C 51928032 168975912 /nfs/dbraw/zinc/97/59/12/168975912.db2.gz XRPXZDWUUBMAIV-SNVBAGLBSA-N 1 1 192.266 1.131 10 30 ADEEMO Cc1occc1C[N@@H+](C)C[C@@H]1CO1 42449500 169011376 /nfs/dbraw/zinc/01/13/76/169011376.db2.gz WIKIPLUZSVETRX-SNVBAGLBSA-N 1 1 181.235 1.419 10 30 ADEEMO Cc1occc1C[N@@H+](C)C[C@H]1CO1 42449502 169012040 /nfs/dbraw/zinc/01/20/40/169012040.db2.gz WIKIPLUZSVETRX-JTQLQIEISA-N 1 1 181.235 1.419 10 30 ADEEMO CC(=O)/C=C1\CC[N@H+](C)C[C@@H]1C 136264169 343978578 /nfs/dbraw/zinc/97/85/78/343978578.db2.gz CCDMGECNNJCXRK-QMEHYBMDSA-N 1 1 167.252 1.473 10 30 ADEEMO Cn1c[nH+]c(-c2cccc(C#N)c2)c1N 104846745 169054621 /nfs/dbraw/zinc/05/46/21/169054621.db2.gz AZNPOIGSLUEKBV-UHFFFAOYSA-N 1 1 198.229 1.541 10 30 ADEEMO Cn1c[nH+]c(-c2ccc(C#N)cc2)c1N 104846787 169054625 /nfs/dbraw/zinc/05/46/25/169054625.db2.gz LZTFHDNWXMQEQH-UHFFFAOYSA-N 1 1 198.229 1.541 10 30 ADEEMO N#CC[C@@H]1[NH2+]CCc2cccc(O)c21 83660414 169099928 /nfs/dbraw/zinc/09/99/28/169099928.db2.gz GPIUBSDTUCXCCJ-VIFPVBQESA-N 1 1 188.230 1.493 10 30 ADEEMO N#CC[C@@H](N)c1[nH+]ccc2[nH]ccc12 89220584 169100055 /nfs/dbraw/zinc/10/00/55/169100055.db2.gz MVHBTTLSFTWXJH-MRVPVSSYSA-N 1 1 186.218 1.476 10 30 ADEEMO N#CC[C@@H]([NH3+])c1cccc(F)c1 71495741 169100380 /nfs/dbraw/zinc/10/03/80/169100380.db2.gz UUTOOQJADCJEDB-SECBINFHSA-N 1 1 164.183 1.739 10 30 ADEEMO N#CC[C@H]([NH3+])c1ccc2c(c1)OCO2 71500586 169100648 /nfs/dbraw/zinc/10/06/48/169100648.db2.gz WOBCYYNIKLHMID-QMMMGPOBSA-N 1 1 190.202 1.329 10 30 ADEEMO N#CC[C@H]([NH3+])c1cccc(F)c1 71495742 169101032 /nfs/dbraw/zinc/10/10/32/169101032.db2.gz UUTOOQJADCJEDB-VIFPVBQESA-N 1 1 164.183 1.739 10 30 ADEEMO N#CC[C@@H]([NH3+])c1ccc2c(c1)OCO2 71500585 169101176 /nfs/dbraw/zinc/10/11/76/169101176.db2.gz WOBCYYNIKLHMID-MRVPVSSYSA-N 1 1 190.202 1.329 10 30 ADEEMO N#CC[C@@H]1[NH2+]CCc2ccc(N)cc21 75751731 169101207 /nfs/dbraw/zinc/10/12/07/169101207.db2.gz DJHPIQHYNKXFNR-NSHDSACASA-N 1 1 187.246 1.369 10 30 ADEEMO N#CC[C@@H]([NH3+])c1ccc(F)cc1 71495739 169101242 /nfs/dbraw/zinc/10/12/42/169101242.db2.gz KDQBNQCKIYYHCT-SECBINFHSA-N 1 1 164.183 1.739 10 30 ADEEMO N#CC[C@H]([NH3+])c1ccc(F)cc1 71495740 169101270 /nfs/dbraw/zinc/10/12/70/169101270.db2.gz KDQBNQCKIYYHCT-VIFPVBQESA-N 1 1 164.183 1.739 10 30 ADEEMO N#CC[C@H](N)c1[nH+]ccc2[nH]ccc12 89220586 169101297 /nfs/dbraw/zinc/10/12/97/169101297.db2.gz MVHBTTLSFTWXJH-QMMMGPOBSA-N 1 1 186.218 1.476 10 30 ADEEMO N#CC[C@H]1[NH2+]CCc2cccc(O)c21 83660415 169102810 /nfs/dbraw/zinc/10/28/10/169102810.db2.gz GPIUBSDTUCXCCJ-SECBINFHSA-N 1 1 188.230 1.493 10 30 ADEEMO N#CC[C@H]1[NH2+]CCc2ccc(N)cc21 75751732 169103011 /nfs/dbraw/zinc/10/30/11/169103011.db2.gz DJHPIQHYNKXFNR-LLVKDONJSA-N 1 1 187.246 1.369 10 30 ADEEMO N#CCc1nc(C[NH2+]C2CC2)cs1 40999733 169103940 /nfs/dbraw/zinc/10/39/40/169103940.db2.gz JNSFHKIFJNOIPG-UHFFFAOYSA-N 1 1 193.275 1.461 10 30 ADEEMO N#CCn1c[nH+]c2cc(N)ccc21 75935093 169105954 /nfs/dbraw/zinc/10/59/54/169105954.db2.gz YYRYSTTUPSTLIU-UHFFFAOYSA-N 1 1 172.191 1.142 10 30 ADEEMO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc[nH]1 61892588 169107473 /nfs/dbraw/zinc/10/74/73/169107473.db2.gz FSGFXNQHXQSREU-GXSJLCMTSA-N 1 1 189.262 1.797 10 30 ADEEMO N#C[C@@H]1CC[N@H+]2CCCC[C@@H]12 24058319 169107892 /nfs/dbraw/zinc/10/78/92/169107892.db2.gz HBXQOCBIURKXKK-IUCAKERBSA-N 1 1 150.225 1.384 10 30 ADEEMO N#C[C@@H]1CCC[C@@H]2CCC[N@@H+]12 196056946 169107933 /nfs/dbraw/zinc/10/79/33/169107933.db2.gz PTUDGSXGCPOVJY-BDAKNGLRSA-N 1 1 150.225 1.527 10 30 ADEEMO N#C[C@@H]1CCC[C@@H]1[N@@H+](CCO)C1CC1 42479277 169108000 /nfs/dbraw/zinc/10/80/00/169108000.db2.gz JIMNCXUXYUWCNC-ONGXEEELSA-N 1 1 194.278 1.135 10 30 ADEEMO N#C[C@@H]1CCC[C@H]1[NH+]1CCSCC1 37146693 169108071 /nfs/dbraw/zinc/10/80/71/169108071.db2.gz ULZBDBIRKWDQLH-VHSXEESVSA-N 1 1 196.319 1.727 10 30 ADEEMO N#C[C@@H]1CC[N@H+]2CCCC[C@H]12 39080097 169108257 /nfs/dbraw/zinc/10/82/57/169108257.db2.gz HBXQOCBIURKXKK-DTWKUNHWSA-N 1 1 150.225 1.384 10 30 ADEEMO N#C[C@@H]1CCC[C@@H]1[NH+]1CCSCC1 37146695 169108413 /nfs/dbraw/zinc/10/84/13/169108413.db2.gz ULZBDBIRKWDQLH-UWVGGRQHSA-N 1 1 196.319 1.727 10 30 ADEEMO N#C[C@@H]1CCC[C@@H]1[N@@H+]1CCC[C@@H]1CO 42432832 169108506 /nfs/dbraw/zinc/10/85/06/169108506.db2.gz NURXUHDQCCWODW-AXFHLTTASA-N 1 1 194.278 1.135 10 30 ADEEMO N#C[C@@H]1CCC[C@H]2CCC[N@@H+]12 39080114 169108691 /nfs/dbraw/zinc/10/86/91/169108691.db2.gz PTUDGSXGCPOVJY-IUCAKERBSA-N 1 1 150.225 1.527 10 30 ADEEMO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc[nH]1 61892589 169108731 /nfs/dbraw/zinc/10/87/31/169108731.db2.gz FSGFXNQHXQSREU-ONGXEEELSA-N 1 1 189.262 1.797 10 30 ADEEMO N#C[C@@H]1CC[C@@H]2CCC[N@H+]12 24260292 169108761 /nfs/dbraw/zinc/10/87/61/169108761.db2.gz OQQXGTYNRYVUKQ-YUMQZZPRSA-N 1 1 136.198 1.137 10 30 ADEEMO N#C[C@@H]1CC[C@@H]2CCC[N@@H+]12 24260292 169108763 /nfs/dbraw/zinc/10/87/63/169108763.db2.gz OQQXGTYNRYVUKQ-YUMQZZPRSA-N 1 1 136.198 1.137 10 30 ADEEMO N#C[C@@H]1CCC[C@H]1[N@@H+](CCO)C1CC1 42479273 169109030 /nfs/dbraw/zinc/10/90/30/169109030.db2.gz JIMNCXUXYUWCNC-GXSJLCMTSA-N 1 1 194.278 1.135 10 30 ADEEMO N#C[C@@H]1[NH2+]C[C@@H]2CCCC[C@@H]21 24056845 169109637 /nfs/dbraw/zinc/10/96/37/169109637.db2.gz ZMEKGKIURYUKGF-CIUDSAMLSA-N 1 1 150.225 1.288 10 30 ADEEMO N#C[C@@H]1[NH2+]C[C@@H]2CC=CC[C@@H]21 24064982 169109694 /nfs/dbraw/zinc/10/96/94/169109694.db2.gz GXMNVAOLMMLIIM-CIUDSAMLSA-N 1 1 148.209 1.064 10 30 ADEEMO N#C[C@@]1([NH3+])C[C@@H]2CC[C@H]1C2 34513253 169109985 /nfs/dbraw/zinc/10/99/85/169109985.db2.gz FZMWVZHBJDWSKU-CSMHCCOUSA-N 1 1 136.198 1.027 10 30 ADEEMO N#C[C@@H]1[NH2+]C[C@@H]2CCCC[C@H]21 146191349 169110179 /nfs/dbraw/zinc/11/01/79/169110179.db2.gz ZMEKGKIURYUKGF-YIZRAAEISA-N 1 1 150.225 1.288 10 30 ADEEMO N#C[C@@]1([NH3+])CCOC2(CCCC2)C1 82396375 169110184 /nfs/dbraw/zinc/11/01/84/169110184.db2.gz AQFSBDIGYILWQH-SECBINFHSA-N 1 1 180.251 1.331 10 30 ADEEMO N#C[C@@]1([NH3+])CCOC2(CCCCC2)C1 82387104 169110334 /nfs/dbraw/zinc/11/03/34/169110334.db2.gz XBQLRGPXBUMKLW-SNVBAGLBSA-N 1 1 194.278 1.721 10 30 ADEEMO N#C[C@@H]1[NH2+]C[C@H]2CCCC[C@H]21 39095079 169110396 /nfs/dbraw/zinc/11/03/96/169110396.db2.gz ZMEKGKIURYUKGF-HLTSFMKQSA-N 1 1 150.225 1.288 10 30 ADEEMO N#C[C@@]1([NH3+])CCSC2(CCC2)C1 82394991 169110434 /nfs/dbraw/zinc/11/04/34/169110434.db2.gz IJHKDJBZVCKKEC-MRVPVSSYSA-N 1 1 182.292 1.657 10 30 ADEEMO N#C[C@@]12CCCC[N@@H+]1CCC2 34156156 169110469 /nfs/dbraw/zinc/11/04/69/169110469.db2.gz OVKXGAQYZZSRLH-VIFPVBQESA-N 1 1 150.225 1.528 10 30 ADEEMO N#C[C@@]1([NH3+])CCSC2(CC2)C1 82401821 169110567 /nfs/dbraw/zinc/11/05/67/169110567.db2.gz GWDPSUNLHSXUOR-SSDOTTSWSA-N 1 1 168.265 1.267 10 30 ADEEMO N#C[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 39094999 169110798 /nfs/dbraw/zinc/11/07/98/169110798.db2.gz KBEPDSPHSYTPPZ-VGMNWLOBSA-N 1 1 150.225 1.431 10 30 ADEEMO N#C[C@H]1CCC[C@@H]1[N@@H+](CCO)C1CC1 42479275 169111343 /nfs/dbraw/zinc/11/13/43/169111343.db2.gz JIMNCXUXYUWCNC-KOLCDFICSA-N 1 1 194.278 1.135 10 30 ADEEMO N#C[C@H]1CCC[C@H]1[NH2+]Cc1ccc[nH]1 61892586 169111402 /nfs/dbraw/zinc/11/14/02/169111402.db2.gz FSGFXNQHXQSREU-MWLCHTKSSA-N 1 1 189.262 1.797 10 30 ADEEMO N#C[C@H]1CCC[C@@H]2CCC[N@@H+]12 39095057 169111525 /nfs/dbraw/zinc/11/15/25/169111525.db2.gz PTUDGSXGCPOVJY-RKDXNWHRSA-N 1 1 150.225 1.527 10 30 ADEEMO N#C[C@H]1CC[N@H+]2CCCC[C@@H]12 24058321 169111605 /nfs/dbraw/zinc/11/16/05/169111605.db2.gz HBXQOCBIURKXKK-BDAKNGLRSA-N 1 1 150.225 1.384 10 30 ADEEMO N#C[C@H]1CCC[C@H]1[N@@H+](CCO)C1CC1 42479271 169111680 /nfs/dbraw/zinc/11/16/80/169111680.db2.gz JIMNCXUXYUWCNC-MWLCHTKSSA-N 1 1 194.278 1.135 10 30 ADEEMO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc[nH]1 61892587 169111982 /nfs/dbraw/zinc/11/19/82/169111982.db2.gz FSGFXNQHXQSREU-KOLCDFICSA-N 1 1 189.262 1.797 10 30 ADEEMO N#C[C@H]1CCC[C@H]1[NH+]1CCSCC1 37146692 169112154 /nfs/dbraw/zinc/11/21/54/169112154.db2.gz ULZBDBIRKWDQLH-NXEZZACHSA-N 1 1 196.319 1.727 10 30 ADEEMO N#C[C@H]1CC[C@@H]2CCC[N@@H+]21 24260296 169112381 /nfs/dbraw/zinc/11/23/81/169112381.db2.gz OQQXGTYNRYVUKQ-JGVFFNPUSA-N 1 1 136.198 1.137 10 30 ADEEMO N#C[C@H]1CC[C@@H]2CCC[N@H+]21 24260296 169112383 /nfs/dbraw/zinc/11/23/83/169112383.db2.gz OQQXGTYNRYVUKQ-JGVFFNPUSA-N 1 1 136.198 1.137 10 30 ADEEMO N#C[C@H]1CCC[C@@H]1[NH+]1CCSCC1 37146694 169112641 /nfs/dbraw/zinc/11/26/41/169112641.db2.gz ULZBDBIRKWDQLH-ZJUUUORDSA-N 1 1 196.319 1.727 10 30 ADEEMO N#C[C@]1([NH3+])CCSC2(CC2)C1 82401820 169112860 /nfs/dbraw/zinc/11/28/60/169112860.db2.gz GWDPSUNLHSXUOR-ZETCQYMHSA-N 1 1 168.265 1.267 10 30 ADEEMO N#C[C@H]1[NH2+]C[C@@H]2CCCC[C@H]12 24056847 169113087 /nfs/dbraw/zinc/11/30/87/169113087.db2.gz ZMEKGKIURYUKGF-XHNCKOQMSA-N 1 1 150.225 1.288 10 30 ADEEMO N#C[C@]1([NH3+])CCSC2(CCC2)C1 82394989 169113172 /nfs/dbraw/zinc/11/31/72/169113172.db2.gz IJHKDJBZVCKKEC-QMMMGPOBSA-N 1 1 182.292 1.657 10 30 ADEEMO N#C[C@H]1[NH2+]C[C@@H]2CC=CC[C@H]12 24064984 169113304 /nfs/dbraw/zinc/11/33/04/169113304.db2.gz GXMNVAOLMMLIIM-XHNCKOQMSA-N 1 1 148.209 1.064 10 30 ADEEMO N#C[C@H]1C[C@@H]1c1cnc[nH]1 3017 169113446 /nfs/dbraw/zinc/11/34/46/169113446.db2.gz ZRPSVOSIIGRPIS-RITPCOANSA-N 1 1 133.154 1.037 10 30 ADEEMO N#C[C@]12CCCC[N@@H+]1CCC2 34156157 169113646 /nfs/dbraw/zinc/11/36/46/169113646.db2.gz OVKXGAQYZZSRLH-SECBINFHSA-N 1 1 150.225 1.528 10 30 ADEEMO N#C[C@]1([NH3+])CCOC2(CCCC2)C1 82396374 169113676 /nfs/dbraw/zinc/11/36/76/169113676.db2.gz AQFSBDIGYILWQH-VIFPVBQESA-N 1 1 180.251 1.331 10 30 ADEEMO N#C[C@]1([NH3+])CCOC2(CCCCC2)C1 82387103 169113730 /nfs/dbraw/zinc/11/37/30/169113730.db2.gz XBQLRGPXBUMKLW-JTQLQIEISA-N 1 1 194.278 1.721 10 30 ADEEMO N#Cc1c([C@@H]2CCC[NH2+]2)cc[nH]c1=O 82390950 169115557 /nfs/dbraw/zinc/11/55/57/169115557.db2.gz UKIDMRVDEOMPRL-VIFPVBQESA-N 1 1 189.218 1.083 10 30 ADEEMO N#Cc1c([C@H]2CCC[NH2+]2)cc[nH]c1=O 82390951 169115638 /nfs/dbraw/zinc/11/56/38/169115638.db2.gz UKIDMRVDEOMPRL-SECBINFHSA-N 1 1 189.218 1.083 10 30 ADEEMO N#Cc1cc2ccccc2nc1C[NH3+] 75844843 169118003 /nfs/dbraw/zinc/11/80/03/169118003.db2.gz GFQCKQVQDRWCGB-UHFFFAOYSA-N 1 1 183.214 1.565 10 30 ADEEMO N#Cc1cc2c[nH+]cn2c(Cl)n1 238515204 169118339 /nfs/dbraw/zinc/11/83/39/169118339.db2.gz HLPQYKOPKQOGDS-UHFFFAOYSA-N 1 1 178.582 1.254 10 30 ADEEMO N#Cc1ccc(-c2cc(N)cc[nH+]2)nc1 72204357 169119661 /nfs/dbraw/zinc/11/96/61/169119661.db2.gz JKGNCGZWSHTHFL-UHFFFAOYSA-N 1 1 196.213 1.597 10 30 ADEEMO N#Cc1ccc2c(c1)C[NH2+][C@H](CF)C2 13517608 169123472 /nfs/dbraw/zinc/12/34/72/169123472.db2.gz UYOIEPOOLGXPIW-NSHDSACASA-N 1 1 190.221 1.542 10 30 ADEEMO N#Cc1ccc2c(c1)C[NH2+][C@@H](CF)C2 13517612 169123529 /nfs/dbraw/zinc/12/35/29/169123529.db2.gz UYOIEPOOLGXPIW-LLVKDONJSA-N 1 1 190.221 1.542 10 30 ADEEMO N#Cc1cccc2nc(C[NH3+])oc12 95756867 169125417 /nfs/dbraw/zinc/12/54/17/169125417.db2.gz WKFHQJAIHQINDM-UHFFFAOYSA-N 1 1 173.175 1.158 10 30 ADEEMO [NH2+]=C(NO)Nc1cccc(Cl)c1 28096681 169132669 /nfs/dbraw/zinc/13/26/69/169132669.db2.gz USNNYOPPPRMMTJ-UHFFFAOYSA-N 1 1 185.614 1.265 10 30 ADEEMO [NH2+]=C(NO)Nc1ccc(Cl)cc1 13558691 169132753 /nfs/dbraw/zinc/13/27/53/169132753.db2.gz JYBXKTLYOMPMQY-UHFFFAOYSA-N 1 1 185.614 1.265 10 30 in-vivo ADEEMO N[NH+]=C(NC1CC1)c1ccsc1 42036743 169134458 /nfs/dbraw/zinc/13/44/58/169134458.db2.gz AIZKMGFMTBMCHF-UHFFFAOYSA-N 1 1 181.264 1.120 10 30 ADEEMO N[NH+]=C(N)c1csc2ccccc12 49776979 169134495 /nfs/dbraw/zinc/13/44/95/169134495.db2.gz IZRWGFZHRGULEV-UHFFFAOYSA-N 1 1 191.259 1.480 10 30 ADEEMO N[NH+]=C(N)c1cc2c(s1)CCCC2 42038632 169134628 /nfs/dbraw/zinc/13/46/28/169134628.db2.gz OYYJIIQPHBUUEK-UHFFFAOYSA-N 1 1 195.291 1.206 10 30 ADEEMO [NH3+][C@@H](CS)c1nnc(C2CCC2)o1 83343227 169245541 /nfs/dbraw/zinc/24/55/41/169245541.db2.gz BUSRBSCPNVSTAF-LURJTMIESA-N 1 1 199.279 1.267 10 30 ADEEMO O/N=C1/CCC[N@H+]2CCC[C@H]12 39080552 169313926 /nfs/dbraw/zinc/31/39/26/169313926.db2.gz LNPHFVFNPNYHNQ-XZZQCUQZSA-N 1 1 154.213 1.075 10 30 ADEEMO O/N=C1/CCC[N@H+]2CCC[C@@H]12 39080554 169314113 /nfs/dbraw/zinc/31/41/13/169314113.db2.gz LNPHFVFNPNYHNQ-FZGDARCMSA-N 1 1 154.213 1.075 10 30 ADEEMO O=CC[N@H+]1CCC[C@@H]2CCCC[C@H]21 43803353 169396409 /nfs/dbraw/zinc/39/64/09/169396409.db2.gz OVHWCZDXEKVFKM-WDEREUQCSA-N 1 1 181.279 1.840 10 30 ADEEMO O=CC[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 43803350 169396528 /nfs/dbraw/zinc/39/65/28/169396528.db2.gz FOYSOVJDMRKSFX-WDEREUQCSA-N 1 1 181.279 1.697 10 30 ADEEMO O=CC[N@H+]1CCC[C@H]1C1CCCC1 45085135 169396690 /nfs/dbraw/zinc/39/66/90/169396690.db2.gz CLIUNFMKIGPCSV-NSHDSACASA-N 1 1 181.279 1.840 10 30 ADEEMO O=CC[N@H+]1CCC[C@@H]2CCCC[C@@H]21 43803355 169396772 /nfs/dbraw/zinc/39/67/72/169396772.db2.gz OVHWCZDXEKVFKM-QWRGUYRKSA-N 1 1 181.279 1.840 10 30 ADEEMO O=CC[N@H+]1CC[C@H](c2ccccc2)C1 50599920 169396822 /nfs/dbraw/zinc/39/68/22/169396822.db2.gz YTYXGCBQXNPVEA-LBPRGKRZSA-N 1 1 189.258 1.675 10 30 ADEEMO O=CC[N@H+]1CCC[C@@H]1C1CCCC1 45085138 169396899 /nfs/dbraw/zinc/39/68/99/169396899.db2.gz CLIUNFMKIGPCSV-LLVKDONJSA-N 1 1 181.279 1.840 10 30 ADEEMO O=CC[N@H+]1CC[C@@H](c2ccccc2)C1 50599918 169396967 /nfs/dbraw/zinc/39/69/67/169396967.db2.gz YTYXGCBQXNPVEA-GFCCVEGCSA-N 1 1 189.258 1.675 10 30 ADEEMO O=CC[N@H+]1CCC[C@H]2CCCC[C@@H]21 43803359 169397004 /nfs/dbraw/zinc/39/70/04/169397004.db2.gz OVHWCZDXEKVFKM-MNOVXSKESA-N 1 1 181.279 1.840 10 30 ADEEMO O=CC[N@H+]1CCC[C@H]2CCCC[C@H]21 43803357 169397146 /nfs/dbraw/zinc/39/71/46/169397146.db2.gz OVHWCZDXEKVFKM-GHMZBOCLSA-N 1 1 181.279 1.840 10 30 ADEEMO O=CC[C@@H]1CCC[N@H+]2CCCC[C@@H]12 75575776 169397367 /nfs/dbraw/zinc/39/73/67/169397367.db2.gz LYURJKZENJASHP-QWRGUYRKSA-N 1 1 181.279 1.840 10 30 ADEEMO O=CC[C@H]1CCC[N@H+]2CCCC[C@@H]12 75575775 169397608 /nfs/dbraw/zinc/39/76/08/169397608.db2.gz LYURJKZENJASHP-MNOVXSKESA-N 1 1 181.279 1.840 10 30 ADEEMO N#Cc1cccc(C(F)(F)C[NH3+])c1 137043666 343983346 /nfs/dbraw/zinc/98/33/46/343983346.db2.gz KUEYONWMHMARKH-UHFFFAOYSA-N 1 1 182.173 1.609 10 30 ADEEMO N#Cc1ccc(C(F)(F)C[NH3+])cc1 137040011 343983354 /nfs/dbraw/zinc/98/33/54/343983354.db2.gz GSRZWUNAKLBWHJ-UHFFFAOYSA-N 1 1 182.173 1.609 10 30 ADEEMO C[C@H]1C[C@@H]2C/C(=N\O)C[C@H]1[N@H+](C)C2 138733604 343989854 /nfs/dbraw/zinc/98/98/54/343989854.db2.gz YABVPMUHBWEQOY-KBASVCCKSA-N 1 1 182.267 1.567 10 30 ADEEMO N#CCCCN1CC[N@H+]2CCC[C@H]2C1 75581492 171023569 /nfs/dbraw/zinc/02/35/69/171023569.db2.gz BEMPZAJHGMUQBG-NSHDSACASA-N 1 1 193.294 1.070 10 30 ADEEMO N#CCCCN1CC[N@H+]2CCC[C@@H]2C1 75581491 171024022 /nfs/dbraw/zinc/02/40/22/171024022.db2.gz BEMPZAJHGMUQBG-LLVKDONJSA-N 1 1 193.294 1.070 10 30 ADEEMO C#CCC[N@@H+](CC)C1CCNCC1 37469524 171032297 /nfs/dbraw/zinc/03/22/97/171032297.db2.gz PVNNZKOPGCVCKU-UHFFFAOYSA-N 1 1 180.295 1.084 10 30 ADEEMO C#CCC[N@H+](CC)C1CCNCC1 37469524 171032299 /nfs/dbraw/zinc/03/22/99/171032299.db2.gz PVNNZKOPGCVCKU-UHFFFAOYSA-N 1 1 180.295 1.084 10 30 ADEEMO N#CC1([NH+]2CCCC2)CCCC1 19935156 171036536 /nfs/dbraw/zinc/03/65/36/171036536.db2.gz IMHJQDPMRXKEFF-UHFFFAOYSA-N 1 1 164.252 1.919 10 30 ADEEMO N#CCC[NH2+]CCc1ccco1 37979064 171041350 /nfs/dbraw/zinc/04/13/50/171041350.db2.gz HNNIADKIDXYAQT-UHFFFAOYSA-N 1 1 164.208 1.325 10 30 ADEEMO CC#C[C@H]1Cc2ccsc2C(=[NH2+])N1 25982591 171044173 /nfs/dbraw/zinc/04/41/73/171044173.db2.gz FPIJYFMUGDPADO-QMMMGPOBSA-N 1 1 190.271 1.401 10 30 ADEEMO CC#C[C@@H]1Cc2ccsc2C(=[NH2+])N1 25982582 171044538 /nfs/dbraw/zinc/04/45/38/171044538.db2.gz FPIJYFMUGDPADO-MRVPVSSYSA-N 1 1 190.271 1.401 10 30 ADEEMO [NH2+]=C(NO)NCc1ccc(Cl)cc1 29317276 171047606 /nfs/dbraw/zinc/04/76/06/171047606.db2.gz UEHVKAQYKLEPST-UHFFFAOYSA-N 1 1 199.641 1.134 10 30 ADEEMO C[N@H+]1CCC=C(CC#N)C1 38809885 171049431 /nfs/dbraw/zinc/04/94/31/171049431.db2.gz FHACSRPFOOZXHH-UHFFFAOYSA-N 1 1 136.198 1.162 10 30 ADEEMO C[N@H+]1CCCC[C@@H]1CC#N 36466144 171061332 /nfs/dbraw/zinc/06/13/32/171061332.db2.gz JIHBUFRAYUUZBS-MRVPVSSYSA-N 1 1 138.214 1.384 10 30 ADEEMO C[N@H+]1CCCC[C@H]1CC#N 36466145 171061489 /nfs/dbraw/zinc/06/14/89/171061489.db2.gz JIHBUFRAYUUZBS-QMMMGPOBSA-N 1 1 138.214 1.384 10 30 ADEEMO CCC#C[C@H]1CCCC[N@H+]1C 39048807 171065070 /nfs/dbraw/zinc/06/50/70/171065070.db2.gz FBYUDOCYIUAEDM-JTQLQIEISA-N 1 1 151.253 1.884 10 30 ADEEMO CCC#C[C@@H]1CCCC[N@H+]1C 39048805 171065082 /nfs/dbraw/zinc/06/50/82/171065082.db2.gz FBYUDOCYIUAEDM-SNVBAGLBSA-N 1 1 151.253 1.884 10 30 ADEEMO C[N@H+]1CCCC[C@H](C#N)C1 38665160 171069901 /nfs/dbraw/zinc/06/99/01/171069901.db2.gz WUYRRWGJEOVJIW-MRVPVSSYSA-N 1 1 138.214 1.242 10 30 ADEEMO C[N@H+]1CCCC[C@@H](C#N)C1 38665161 171070167 /nfs/dbraw/zinc/07/01/67/171070167.db2.gz WUYRRWGJEOVJIW-QMMMGPOBSA-N 1 1 138.214 1.242 10 30 ADEEMO CCC/[NH+]=C(/C)[C@H](C)O 39068413 171072787 /nfs/dbraw/zinc/07/27/87/171072787.db2.gz LDNWMEHYZZPNBO-VQKCLUMFSA-N 1 1 129.203 1.238 10 30 ADEEMO CCC/[NH+]=C(/C)[C@@H](C)O 39068411 171073059 /nfs/dbraw/zinc/07/30/59/171073059.db2.gz LDNWMEHYZZPNBO-QHRPWQPMSA-N 1 1 129.203 1.238 10 30 ADEEMO N#Cc1scc2c1C[NH2+]C2 39095029 171075140 /nfs/dbraw/zinc/07/51/40/171075140.db2.gz BCDSSFGHKUVORJ-UHFFFAOYSA-N 1 1 150.206 1.223 10 30 ADEEMO O[N+](O)=Cc1ccnc2ccccc12 39140242 171076976 /nfs/dbraw/zinc/07/69/76/171076976.db2.gz LNHPWAUGYBCXHO-UHFFFAOYSA-N 1 1 188.186 1.553 10 30 ADEEMO C=CC(=C)C[NH+]1CCOCC1 39136751 171085254 /nfs/dbraw/zinc/08/52/54/171085254.db2.gz MBCLWZKIYHLTSM-UHFFFAOYSA-N 1 1 153.225 1.061 10 30 ADEEMO N#CCCC[N@H+]1C[C@H]2CC[C@@H]1C2 42350685 171085437 /nfs/dbraw/zinc/08/54/37/171085437.db2.gz WBRCXEFXSIYLDN-VHSXEESVSA-N 1 1 164.252 1.774 10 30 ADEEMO SCCNc1[nH]c2ccccc2[nH+]1 44787282 171091252 /nfs/dbraw/zinc/09/12/52/171091252.db2.gz IHSHQBIEQUYRDV-UHFFFAOYSA-N 1 1 193.275 1.905 10 30 ADEEMO N#C[C@H](N)C[NH+]1CCCCCCC1 45305899 171092140 /nfs/dbraw/zinc/09/21/40/171092140.db2.gz QEIPYGFIQUSCPI-JTQLQIEISA-N 1 1 181.283 1.103 10 30 ADEEMO N#C[C@@H](N)C[NH+]1CCCCCCC1 45305897 171092525 /nfs/dbraw/zinc/09/25/25/171092525.db2.gz QEIPYGFIQUSCPI-SNVBAGLBSA-N 1 1 181.283 1.103 10 30 ADEEMO N#CCC[NH2+]Cc1ccc[nH]1 48436901 171094268 /nfs/dbraw/zinc/09/42/68/171094268.db2.gz DJTHNXWQAYBBLG-UHFFFAOYSA-N 1 1 149.197 1.018 10 30 ADEEMO Cc1ccccc1[C@H]([NH3+])CC#N 71495632 171107810 /nfs/dbraw/zinc/10/78/10/171107810.db2.gz JBROKDCFTDZWMI-SNVBAGLBSA-N 1 1 160.220 1.909 10 30 ADEEMO Cc1ccccc1[C@@H]([NH3+])CC#N 71495633 171107943 /nfs/dbraw/zinc/10/79/43/171107943.db2.gz JBROKDCFTDZWMI-JTQLQIEISA-N 1 1 160.220 1.909 10 30 ADEEMO N#Cc1ccc([C@@H]([NH3+])CN)cc1Cl 72200462 171109006 /nfs/dbraw/zinc/10/90/06/171109006.db2.gz ZXCPOZDFEQNOPI-VIFPVBQESA-N 1 1 195.653 1.170 10 30 ADEEMO N#Cc1ccc([C@H]([NH3+])CN)cc1Cl 72200461 171109214 /nfs/dbraw/zinc/10/92/14/171109214.db2.gz ZXCPOZDFEQNOPI-SECBINFHSA-N 1 1 195.653 1.170 10 30 ADEEMO S[C@H]1CCC[N@H+](C2CC2)C1 73653336 171111507 /nfs/dbraw/zinc/11/15/07/171111507.db2.gz PDJRQRKQUHNTDL-QMMMGPOBSA-N 1 1 157.282 1.543 10 30 ADEEMO C[N@H+]1CCCC[C@H]1CCC#N 75539806 171112332 /nfs/dbraw/zinc/11/23/32/171112332.db2.gz SLFNYTVZMGEIBZ-VIFPVBQESA-N 1 1 152.241 1.774 10 30 ADEEMO C[N@H+]1CCCC[C@@H]1CCC#N 75539804 171112557 /nfs/dbraw/zinc/11/25/57/171112557.db2.gz SLFNYTVZMGEIBZ-SECBINFHSA-N 1 1 152.241 1.774 10 30 ADEEMO C[N@H+]1CCC2(CC(CS)C2)C1 95075631 171135484 /nfs/dbraw/zinc/13/54/84/171135484.db2.gz WVBYAKMEDQXIOH-UHFFFAOYSA-N 1 1 171.309 1.648 10 30 ADEEMO N#Cc1ccc2nc(C[NH3+])oc2c1 95756868 171138748 /nfs/dbraw/zinc/13/87/48/171138748.db2.gz ZCGANZFLWLMJDO-UHFFFAOYSA-N 1 1 173.175 1.158 10 30 ADEEMO C[N@@H+]1CCc2cc(C#N)oc2C1 95775479 171139797 /nfs/dbraw/zinc/13/97/97/171139797.db2.gz FLXOAHOYOQKANZ-UHFFFAOYSA-N 1 1 162.192 1.139 10 30 ADEEMO C[N@H+]1CCc2cc(C#N)oc2C1 95775479 171139799 /nfs/dbraw/zinc/13/97/99/171139799.db2.gz FLXOAHOYOQKANZ-UHFFFAOYSA-N 1 1 162.192 1.139 10 30 ADEEMO N#CCC[NH2+]Cc1cccc(O)c1O 41049404 171145519 /nfs/dbraw/zinc/14/55/19/171145519.db2.gz UFZJCZQCPRXLTF-UHFFFAOYSA-N 1 1 192.218 1.101 10 30 ADEEMO N#CCCCC[NH+]1CCC(=O)CC1 42223179 171147392 /nfs/dbraw/zinc/14/73/92/171147392.db2.gz OJTAIIHRQQGGCT-UHFFFAOYSA-N 1 1 180.251 1.345 10 30 ADEEMO Cc1ccc(C#N)c(-n2cc[nH+]c2C)n1 43399955 171150670 /nfs/dbraw/zinc/15/06/70/171150670.db2.gz PDWHXBFPXDWESQ-UHFFFAOYSA-N 1 1 198.229 1.756 10 30 ADEEMO CCOC(=O)C[C@@H](C)[N@H+](C)CCC#N 43622488 171151415 /nfs/dbraw/zinc/15/14/15/171151415.db2.gz LWZYBZHABHFAKT-SECBINFHSA-N 1 1 198.266 1.174 10 30 ADEEMO CCOC(=O)C[C@@H](C)[N@@H+](C)CCC#N 43622488 171151417 /nfs/dbraw/zinc/15/14/17/171151417.db2.gz LWZYBZHABHFAKT-SECBINFHSA-N 1 1 198.266 1.174 10 30 ADEEMO N#CCCCC[N@H+]1CCCC[C@H]1CN 44559118 171152792 /nfs/dbraw/zinc/15/27/92/171152792.db2.gz QKTCFHBVIBWJAS-NSHDSACASA-N 1 1 195.310 1.493 10 30 ADEEMO N#CCCCC[N@@H+]1CCCC[C@H]1CN 44559118 171152794 /nfs/dbraw/zinc/15/27/94/171152794.db2.gz QKTCFHBVIBWJAS-NSHDSACASA-N 1 1 195.310 1.493 10 30 ADEEMO N#CCCCC[N@H+]1CCCC[C@@H]1CN 44559119 171152948 /nfs/dbraw/zinc/15/29/48/171152948.db2.gz QKTCFHBVIBWJAS-LLVKDONJSA-N 1 1 195.310 1.493 10 30 ADEEMO N#CCCCC[N@@H+]1CCCC[C@@H]1CN 44559119 171152950 /nfs/dbraw/zinc/15/29/50/171152950.db2.gz QKTCFHBVIBWJAS-LLVKDONJSA-N 1 1 195.310 1.493 10 30 ADEEMO N#CCCCN[C@H]1CC[N@@H+]2CCC[C@@H]12 49568255 171153547 /nfs/dbraw/zinc/15/35/47/171153547.db2.gz OTHBPHYQARJAAQ-QWRGUYRKSA-N 1 1 193.294 1.116 10 30 ADEEMO N#CCCCN[C@H]1CC[N@H+]2CCC[C@@H]12 49568255 171153549 /nfs/dbraw/zinc/15/35/49/171153549.db2.gz OTHBPHYQARJAAQ-QWRGUYRKSA-N 1 1 193.294 1.116 10 30 ADEEMO CCCN[C@@H](C#N)Cn1cc[nH+]c1C 45321605 171153707 /nfs/dbraw/zinc/15/37/07/171153707.db2.gz OMXRTZNKRYICNW-JTQLQIEISA-N 1 1 192.266 1.083 10 30 ADEEMO C#CCC[N@H+](CCO)CCCC 49832408 171155000 /nfs/dbraw/zinc/15/50/00/171155000.db2.gz CIOBCKRIZZRZMZ-UHFFFAOYSA-N 1 1 169.268 1.104 10 30 ADEEMO CC(=O)CCCC[N@@H+](C)C[C@H](C)C#N 50144428 171155700 /nfs/dbraw/zinc/15/57/00/171155700.db2.gz ZRNIZWDOZLKPBF-SNVBAGLBSA-N 1 1 196.294 1.837 10 30 ADEEMO CC(=O)CCCC[N@H+](C)C[C@H](C)C#N 50144428 171155701 /nfs/dbraw/zinc/15/57/01/171155701.db2.gz ZRNIZWDOZLKPBF-SNVBAGLBSA-N 1 1 196.294 1.837 10 30 ADEEMO CC(=O)CCC[N@@H+](C)C[C@@H](C)C#N 50144435 171155785 /nfs/dbraw/zinc/15/57/85/171155785.db2.gz IWGLRYBJPVFRFP-VIFPVBQESA-N 1 1 182.267 1.447 10 30 ADEEMO CC(=O)CCC[N@H+](C)C[C@@H](C)C#N 50144435 171155786 /nfs/dbraw/zinc/15/57/86/171155786.db2.gz IWGLRYBJPVFRFP-VIFPVBQESA-N 1 1 182.267 1.447 10 30 ADEEMO CC(=O)CCCC[N@@H+](C)C[C@@H](C)C#N 50144431 171155818 /nfs/dbraw/zinc/15/58/18/171155818.db2.gz ZRNIZWDOZLKPBF-JTQLQIEISA-N 1 1 196.294 1.837 10 30 ADEEMO CC(=O)CCCC[N@H+](C)C[C@@H](C)C#N 50144431 171155819 /nfs/dbraw/zinc/15/58/19/171155819.db2.gz ZRNIZWDOZLKPBF-JTQLQIEISA-N 1 1 196.294 1.837 10 30 ADEEMO CC(=O)CCC[N@@H+](C)C[C@H](C)C#N 50144434 171155858 /nfs/dbraw/zinc/15/58/58/171155858.db2.gz IWGLRYBJPVFRFP-SECBINFHSA-N 1 1 182.267 1.447 10 30 ADEEMO CC(=O)CCC[N@H+](C)C[C@H](C)C#N 50144434 171155859 /nfs/dbraw/zinc/15/58/59/171155859.db2.gz IWGLRYBJPVFRFP-SECBINFHSA-N 1 1 182.267 1.447 10 30 ADEEMO C#CCC[N@H+]1CCC[C@H]1C(=O)OCC 50064372 171155911 /nfs/dbraw/zinc/15/59/11/171155911.db2.gz HOZWLBLKYPINRO-JTQLQIEISA-N 1 1 195.262 1.037 10 30 ADEEMO C#CCC[N@@H+]1CCC[C@H]1C(=O)OCC 50064372 171155913 /nfs/dbraw/zinc/15/59/13/171155913.db2.gz HOZWLBLKYPINRO-JTQLQIEISA-N 1 1 195.262 1.037 10 30 ADEEMO C#CCC[N@H+]1CCC[C@@H]1C(=O)OCC 50064373 171156122 /nfs/dbraw/zinc/15/61/22/171156122.db2.gz HOZWLBLKYPINRO-SNVBAGLBSA-N 1 1 195.262 1.037 10 30 ADEEMO C#CCC[N@@H+]1CCC[C@@H]1C(=O)OCC 50064373 171156126 /nfs/dbraw/zinc/15/61/26/171156126.db2.gz HOZWLBLKYPINRO-SNVBAGLBSA-N 1 1 195.262 1.037 10 30 ADEEMO N#CCC[N@H+](CCCCCO)C1CC1 51020016 171158051 /nfs/dbraw/zinc/15/80/51/171158051.db2.gz DZCIIQJVCLZJBV-UHFFFAOYSA-N 1 1 196.294 1.527 10 30 ADEEMO CC#CC[NH2+]CCN(C(C)C)C(C)C 51662818 171159465 /nfs/dbraw/zinc/15/94/65/171159465.db2.gz HPBBTSMQTCSQHW-UHFFFAOYSA-N 1 1 196.338 1.718 10 30 ADEEMO CC#CCNC[C@@H]1CC[N@H+](C2CC2)C1 51663311 171159478 /nfs/dbraw/zinc/15/94/78/171159478.db2.gz LLVHKDIYNXCMML-NSHDSACASA-N 1 1 192.306 1.084 10 30 ADEEMO CC#CCN(CCC)C1CC[NH2+]CC1 51664449 171159633 /nfs/dbraw/zinc/15/96/33/171159633.db2.gz DNALXUXWQSNUJS-UHFFFAOYSA-N 1 1 194.322 1.474 10 30 ADEEMO CC#CCNC[C@@H]1CCC[N@H+]1CC 51663023 171159814 /nfs/dbraw/zinc/15/98/14/171159814.db2.gz BMIDXBQYSWSWJE-NSHDSACASA-N 1 1 180.295 1.084 10 30 ADEEMO CC#CCNC[C@@H]1CCC[N@@H+]1CC 51663023 171159815 /nfs/dbraw/zinc/15/98/15/171159815.db2.gz BMIDXBQYSWSWJE-NSHDSACASA-N 1 1 180.295 1.084 10 30 ADEEMO CC#CC[NH2+]Cc1cccnc1OC 51663262 171159952 /nfs/dbraw/zinc/15/99/52/171159952.db2.gz ZWJJWOGEVVZIMM-UHFFFAOYSA-N 1 1 190.246 1.203 10 30 ADEEMO N#Cc1ccc2nc(C3C[NH2+]C3)[nH]c2c1 140101638 171159989 /nfs/dbraw/zinc/15/99/89/171159989.db2.gz NSOILRQJNJPVLE-UHFFFAOYSA-N 1 1 198.229 1.121 10 30 ADEEMO CC#CCNC[C@H]1CCC[N@H+]1CC 51663021 171160064 /nfs/dbraw/zinc/16/00/64/171160064.db2.gz BMIDXBQYSWSWJE-LLVKDONJSA-N 1 1 180.295 1.084 10 30 ADEEMO CC#CCNC[C@H]1CCC[N@@H+]1CC 51663021 171160065 /nfs/dbraw/zinc/16/00/65/171160065.db2.gz BMIDXBQYSWSWJE-LLVKDONJSA-N 1 1 180.295 1.084 10 30 ADEEMO CC#CC[NH2+][C@@H](C)CN(CC)CC 51663740 171160272 /nfs/dbraw/zinc/16/02/72/171160272.db2.gz HNLRLVIOXYMVTJ-NSHDSACASA-N 1 1 182.311 1.330 10 30 ADEEMO CC#CC[NH2+][C@H](C)CN(CC)CC 51663739 171160289 /nfs/dbraw/zinc/16/02/89/171160289.db2.gz HNLRLVIOXYMVTJ-LLVKDONJSA-N 1 1 182.311 1.330 10 30 ADEEMO CC#CCNC[C@@H](C)[NH+]1CCCCC1 51663697 171160367 /nfs/dbraw/zinc/16/03/67/171160367.db2.gz VSRCQOHSZDSYCP-GFCCVEGCSA-N 1 1 194.322 1.474 10 30 ADEEMO CC#CCN[C@H](C)C[NH+]1CCCCC1 51663541 171160398 /nfs/dbraw/zinc/16/03/98/171160398.db2.gz SGNJGGYXKFHZOJ-GFCCVEGCSA-N 1 1 194.322 1.474 10 30 ADEEMO CC#CCNC[C@H](C)[NH+]1CCCCC1 51663699 171160430 /nfs/dbraw/zinc/16/04/30/171160430.db2.gz VSRCQOHSZDSYCP-LBPRGKRZSA-N 1 1 194.322 1.474 10 30 ADEEMO C=CCOC(=O)[C@@H]1CCC[N@H+](C)C1 3603510 171164461 /nfs/dbraw/zinc/16/44/61/171164461.db2.gz SLDVTJPPUYOXGD-SECBINFHSA-N 1 1 183.251 1.057 10 30 ADEEMO CN1CCC([N@@H+](C)CCCC#N)CC1 19472136 171168152 /nfs/dbraw/zinc/16/81/52/171168152.db2.gz LQZAFHWVXCUGBI-UHFFFAOYSA-N 1 1 195.310 1.316 10 30 ADEEMO CN(CCCC#N)C1CC[NH+](C)CC1 19472136 171168155 /nfs/dbraw/zinc/16/81/55/171168155.db2.gz LQZAFHWVXCUGBI-UHFFFAOYSA-N 1 1 195.310 1.316 10 30 ADEEMO N#CCC[NH2+]Cc1ccc(O)cc1 20199326 171168693 /nfs/dbraw/zinc/16/86/93/171168693.db2.gz YIYORSIZQDZEKL-UHFFFAOYSA-N 1 1 176.219 1.395 10 30 ADEEMO CCO[NH+]=C(N)c1ccc(C)cc1 82534109 171173205 /nfs/dbraw/zinc/17/32/05/171173205.db2.gz QIWKCWXFKMTJSP-UHFFFAOYSA-N 1 1 178.235 1.652 10 30 ADEEMO C#CC[N@@H+]1CCc2c(N)cccc2C1 38032809 171173544 /nfs/dbraw/zinc/17/35/44/171173544.db2.gz APGLKHKPKZLESF-UHFFFAOYSA-N 1 1 186.258 1.260 10 30 ADEEMO N#CC1(c2ccccc2)C[NH2+]C1 201720107 171174071 /nfs/dbraw/zinc/17/40/71/171174071.db2.gz SBDGDXRNTOXTDX-UHFFFAOYSA-N 1 1 158.204 1.051 10 30 ADEEMO N#Cc1ccccc1NCc1cnc[nH]1 54763266 171174883 /nfs/dbraw/zinc/17/48/83/171174883.db2.gz YRWIGXJLDQSVSU-UHFFFAOYSA-N 1 1 198.229 1.893 10 30 ADEEMO C[N@H+]1CCC2=CC(=O)CC[C@@H]2C1 83269773 171180218 /nfs/dbraw/zinc/18/02/18/171180218.db2.gz KGPRJBACQUULQW-SECBINFHSA-N 1 1 165.236 1.227 10 30 ADEEMO C[N@H+]1CCC2=CC(=O)CC[C@H]2C1 83269774 171180237 /nfs/dbraw/zinc/18/02/37/171180237.db2.gz KGPRJBACQUULQW-VIFPVBQESA-N 1 1 165.236 1.227 10 30 ADEEMO CC#Cc1nnc([C@H]([NH3+])CCC)o1 83340401 171181094 /nfs/dbraw/zinc/18/10/94/171181094.db2.gz ZMISIPFEPJHQND-SSDOTTSWSA-N 1 1 179.223 1.241 10 30 ADEEMO CC#Cc1nnc([C@@H]([NH3+])C(C)C)o1 83340399 171181220 /nfs/dbraw/zinc/18/12/20/171181220.db2.gz GGZWKXFSQSHGMG-QMMMGPOBSA-N 1 1 179.223 1.097 10 30 ADEEMO CC#Cc1nnc([C@@H]([NH3+])CC(C)C)o1 83341974 171181428 /nfs/dbraw/zinc/18/14/28/171181428.db2.gz ZEZSMQZKDCWHKE-QMMMGPOBSA-N 1 1 193.250 1.487 10 30 ADEEMO CC#Cc1nnc([C@@H]2CCCC[NH2+]2)o1 83341651 171181571 /nfs/dbraw/zinc/18/15/71/171181571.db2.gz KAHQURATBZXQGJ-QMMMGPOBSA-N 1 1 191.234 1.256 10 30 ADEEMO CC#Cc1nnc([C@H]([NH3+])C(C)(C)C)o1 83341979 171181626 /nfs/dbraw/zinc/18/16/26/171181626.db2.gz BUKWTPAWACMJDK-QMMMGPOBSA-N 1 1 193.250 1.487 10 30 ADEEMO CC#Cc1nnc([C@@H]([NH3+])[C@@H](C)CC)o1 83341977 171181705 /nfs/dbraw/zinc/18/17/05/171181705.db2.gz QYTBPLXRXONUHG-CBAPKCEASA-N 1 1 193.250 1.487 10 30 ADEEMO CC#Cc1nnc([C@H]2CCCC[NH2+]2)o1 83341652 171181942 /nfs/dbraw/zinc/18/19/42/171181942.db2.gz KAHQURATBZXQGJ-MRVPVSSYSA-N 1 1 191.234 1.256 10 30 ADEEMO CC#Cc1nnc([C@H]([NH3+])CC2CC2)o1 83341659 171181947 /nfs/dbraw/zinc/18/19/47/171181947.db2.gz JUMQASDARCOTRB-MRVPVSSYSA-N 1 1 191.234 1.241 10 30 ADEEMO CC#CC[NH+](CC#CC)CCS 33872469 171184543 /nfs/dbraw/zinc/18/45/43/171184543.db2.gz LRXFPXRZILGPCW-UHFFFAOYSA-N 1 1 181.304 1.265 10 30 ADEEMO CCC#C[N@H+]1CCC[C@@H]1C 39049389 171187574 /nfs/dbraw/zinc/18/75/74/171187574.db2.gz SGVAWWQBFHRJIM-VIFPVBQESA-N 1 1 137.226 1.842 10 30 ADEEMO C#C[C@@H](C#CC(=C)C)[NH+](C)C 39079711 171188801 /nfs/dbraw/zinc/18/88/01/171188801.db2.gz QTKIWKQGKQAVEE-JTQLQIEISA-N 1 1 147.221 1.129 10 30 ADEEMO C=CCC(=C)CN1CC[NH+](C)CC1 39114265 171188952 /nfs/dbraw/zinc/18/89/52/171188952.db2.gz WQAGPOYEHCKLHC-UHFFFAOYSA-N 1 1 180.295 1.366 10 30 ADEEMO CCC#C[N@H+]1CCC[C@H]1C 39049390 171189047 /nfs/dbraw/zinc/18/90/47/171189047.db2.gz SGVAWWQBFHRJIM-SECBINFHSA-N 1 1 137.226 1.842 10 30 ADEEMO C#CC[N@@H+]1C[C@@H](C)OC[C@@H]1CC 42224138 171189327 /nfs/dbraw/zinc/18/93/27/171189327.db2.gz AEWQNJFTIYNWRQ-ZJUUUORDSA-N 1 1 167.252 1.119 10 30 ADEEMO C#CC[N@@H+]1CCC[C@H](OCC)C1 42424580 171189387 /nfs/dbraw/zinc/18/93/87/171189387.db2.gz FXJACWHTUDYFRG-JTQLQIEISA-N 1 1 167.252 1.121 10 30 ADEEMO C#CC[N@@H+]1CCC[C@H]1CC 42011937 171189486 /nfs/dbraw/zinc/18/94/86/171189486.db2.gz YASXIJNCZOOTOV-SECBINFHSA-N 1 1 137.226 1.494 10 30 ADEEMO C#CCCN(C)C1C[C@@H]2CC[C@H](C1)[NH2+]2 40746917 171189495 /nfs/dbraw/zinc/18/94/95/171189495.db2.gz PQMZQTYNULOVTQ-FOSCPWQOSA-N 1 1 192.306 1.225 10 30 ADEEMO C#CC[N@@H+]1C[C@H](C)OC[C@@H]1CC 42224140 171189521 /nfs/dbraw/zinc/18/95/21/171189521.db2.gz AEWQNJFTIYNWRQ-UWVGGRQHSA-N 1 1 167.252 1.119 10 30 ADEEMO C#CC[N@@H+]1CCC[C@H]1C 42011941 171189558 /nfs/dbraw/zinc/18/95/58/171189558.db2.gz XQYDYXCTFDKOMH-MRVPVSSYSA-N 1 1 123.199 1.104 10 30 ADEEMO C#CC[N@@H+]1C[C@H](C)OC[C@H]1CC 42224139 171189561 /nfs/dbraw/zinc/18/95/61/171189561.db2.gz AEWQNJFTIYNWRQ-VHSXEESVSA-N 1 1 167.252 1.119 10 30 ADEEMO C#CC[N@@H+]1CCC[C@@H](OCC)C1 42424579 171189564 /nfs/dbraw/zinc/18/95/64/171189564.db2.gz FXJACWHTUDYFRG-SNVBAGLBSA-N 1 1 167.252 1.121 10 30 ADEEMO C#CC[N@@H+]1C[C@@H](C)OC[C@H]1CC 42224137 171189578 /nfs/dbraw/zinc/18/95/78/171189578.db2.gz AEWQNJFTIYNWRQ-NXEZZACHSA-N 1 1 167.252 1.119 10 30 ADEEMO C#CC[N@@H+]1CCC[C@@H]1C 42011943 171189618 /nfs/dbraw/zinc/18/96/18/171189618.db2.gz XQYDYXCTFDKOMH-QMMMGPOBSA-N 1 1 123.199 1.104 10 30 ADEEMO C#CCC[N@H+](CCO)C(CC)CC 50107098 171192853 /nfs/dbraw/zinc/19/28/53/171192853.db2.gz FNOXXNLEKNCOTH-UHFFFAOYSA-N 1 1 183.295 1.493 10 30 ADEEMO C#CCC[N@H+](CCCO)C(C)C 50105324 171192889 /nfs/dbraw/zinc/19/28/89/171192889.db2.gz QVURFJWXQRUHJW-UHFFFAOYSA-N 1 1 169.268 1.103 10 30 ADEEMO CC#CC[NH2+][C@H](C)CN1CCCC1 51663501 171193255 /nfs/dbraw/zinc/19/32/55/171193255.db2.gz BXFGJQYTJHBSQH-LLVKDONJSA-N 1 1 180.295 1.084 10 30 ADEEMO CC#CCNC[C@H]1CC[N@H+](C2CC2)C1 51663313 171193285 /nfs/dbraw/zinc/19/32/85/171193285.db2.gz LLVHKDIYNXCMML-LLVKDONJSA-N 1 1 192.306 1.084 10 30 ADEEMO CC#CCN[C@@H]1CC[N@H+]2CCCC[C@H]12 51663607 171193471 /nfs/dbraw/zinc/19/34/71/171193471.db2.gz WCFMAOOBSSVTKJ-VXGBXAGGSA-N 1 1 192.306 1.226 10 30 ADEEMO CC#CCN[C@H]1CC[N@H+]2CCCC[C@H]12 51663609 171193800 /nfs/dbraw/zinc/19/38/00/171193800.db2.gz WCFMAOOBSSVTKJ-NWDGAFQWSA-N 1 1 192.306 1.226 10 30 ADEEMO CC#CCNC[C@@H]1CCCC[N@@H+]1C 51663663 171193843 /nfs/dbraw/zinc/19/38/43/171193843.db2.gz RTMKZWKGRWCJPX-NSHDSACASA-N 1 1 180.295 1.084 10 30 ADEEMO CC#CCNC[C@@H]1CCCC[N@H+]1C 51663663 171193846 /nfs/dbraw/zinc/19/38/46/171193846.db2.gz RTMKZWKGRWCJPX-NSHDSACASA-N 1 1 180.295 1.084 10 30 ADEEMO CC#CC[NH2+]Cc1ccc(C)o1 53037307 171194321 /nfs/dbraw/zinc/19/43/21/171194321.db2.gz GLTJQNSBGSEGRR-UHFFFAOYSA-N 1 1 163.220 1.701 10 30 ADEEMO CC#CCNC[C@@H]1CC[N@H+](C(C)C)C1 51663721 171194461 /nfs/dbraw/zinc/19/44/61/171194461.db2.gz AELITYLLIAHLOG-LBPRGKRZSA-N 1 1 194.322 1.330 10 30 ADEEMO C#CCC[N@@H+]1CCC[C@@H]1C 71245521 171194760 /nfs/dbraw/zinc/19/47/60/171194760.db2.gz NTVFDRLNCQVBCW-VIFPVBQESA-N 1 1 137.226 1.494 10 30 ADEEMO C=C(C)C(=C)[NH+]1CCOCC1 136646747 171199166 /nfs/dbraw/zinc/19/91/66/171199166.db2.gz COQGFIGLKBPTKJ-UHFFFAOYSA-N 1 1 153.225 1.408 10 30 ADEEMO C=CC(=C)[C@H]1CCC[N@@H+]1C 114222300 171212869 /nfs/dbraw/zinc/21/28/69/171212869.db2.gz IDTVPSZQPVBWHC-SECBINFHSA-N 1 1 137.226 1.823 10 30 ADEEMO C[N@H+]1CCC2=C(CCCC2=O)C1 90504980 171224109 /nfs/dbraw/zinc/22/41/09/171224109.db2.gz TYXXNPADSCAQJJ-UHFFFAOYSA-N 1 1 165.236 1.372 10 30 ADEEMO C[C@@H]1CC([NH+]2CCCCC2)C(=O)C1=O 31374833 171225673 /nfs/dbraw/zinc/22/56/73/171225673.db2.gz NNKYPXDAHSRZCR-MRVPVSSYSA-N 1 1 195.262 1.851 10 30 ADEEMO C[C@H]1CC([NH+]2CCCCC2)C(=O)C1=O 31374838 171225682 /nfs/dbraw/zinc/22/56/82/171225682.db2.gz NNKYPXDAHSRZCR-QMMMGPOBSA-N 1 1 195.262 1.851 10 30 ADEEMO C=CC(=C)[C@@H]1CCC[N@@H+]1C 114222304 171226525 /nfs/dbraw/zinc/22/65/25/171226525.db2.gz IDTVPSZQPVBWHC-VIFPVBQESA-N 1 1 137.226 1.823 10 30 ADEEMO C=CC[NH2+][C@@H]1CCN(C)[C@H](C)C1 155775598 344080517 /nfs/dbraw/zinc/08/05/17/344080517.db2.gz NCIUZVLHWMOGSL-NXEZZACHSA-N 1 1 168.284 1.245 10 30 ADEEMO C=C(C)[C@@]1(O)CC[N@@H+](C)[C@H](C)C1 156721563 344094705 /nfs/dbraw/zinc/09/47/05/344094705.db2.gz JQNPWRTUIMTAQR-NXEZZACHSA-N 1 1 169.268 1.408 10 30 ADEEMO C=C(C)[C@]1(O)CC[N@@H+](C)[C@@H](C)C1 156721411 344094730 /nfs/dbraw/zinc/09/47/30/344094730.db2.gz JQNPWRTUIMTAQR-UWVGGRQHSA-N 1 1 169.268 1.408 10 30 ADEEMO C#CCC[C@]1(O)CC[N@@H+](C)[C@@H](C)C1 156725104 344094734 /nfs/dbraw/zinc/09/47/34/344094734.db2.gz HMVIPDOHZIQEIZ-QWRGUYRKSA-N 1 1 181.279 1.245 10 30 ADEEMO C=C(C)[C@]1(O)CC[N@@H+](C)[C@H](C)C1 156721274 344094736 /nfs/dbraw/zinc/09/47/36/344094736.db2.gz JQNPWRTUIMTAQR-ZJUUUORDSA-N 1 1 169.268 1.408 10 30 ADEEMO C#CCC[C@@]1(O)CC[N@@H+](C)[C@H](C)C1 156725284 344094871 /nfs/dbraw/zinc/09/48/71/344094871.db2.gz HMVIPDOHZIQEIZ-GHMZBOCLSA-N 1 1 181.279 1.245 10 30 ADEEMO C[N@H+](CCC#N)C1CCC(=O)CC1 157212614 344101665 /nfs/dbraw/zinc/10/16/65/344101665.db2.gz QKPOVKUCZSAPPU-UHFFFAOYSA-N 1 1 180.251 1.344 10 30 ADEEMO C[N@@H+](CCC#N)C1CCC(=O)CC1 157212614 344101666 /nfs/dbraw/zinc/10/16/66/344101666.db2.gz QKPOVKUCZSAPPU-UHFFFAOYSA-N 1 1 180.251 1.344 10 30 ADEEMO C[C@H]1C[C@@H](C)[N@@H+](C[C@@H]2CO2)C1 157776616 344114503 /nfs/dbraw/zinc/11/45/03/344114503.db2.gz BUBPHODTVGYVTB-DJLDLDEBSA-N 1 1 155.241 1.116 10 30 ADEEMO C[C@H]1C[C@@H](C)C[N@@H+]1C[C@@H]1CO1 157776139 344114508 /nfs/dbraw/zinc/11/45/08/344114508.db2.gz BUBPHODTVGYVTB-HRDYMLBCSA-N 1 1 155.241 1.116 10 30 ADEEMO CC#CC[NH2+][C@H]1CCN(C)[C@H](C)C1 158213002 344122060 /nfs/dbraw/zinc/12/20/60/344122060.db2.gz ZJIDAHSIXGMEPY-MNOVXSKESA-N 1 1 180.295 1.082 10 30 ADEEMO C[C@H]1C[C@@H](C)C[N@@H+]1CCS 158405880 344126417 /nfs/dbraw/zinc/12/64/17/344126417.db2.gz CFFQOBPRXOLBJE-SFYZADRCSA-N 1 1 159.298 1.647 10 30 ADEEMO C[C@@H]1C[C@@H](C)[N@@H+](CCS)C1 158406172 344126426 /nfs/dbraw/zinc/12/64/26/344126426.db2.gz CFFQOBPRXOLBJE-HTQZYQBOSA-N 1 1 159.298 1.647 10 30 ADEEMO C[C@@H](CO)[N@@H+](C)CCC(C)(C)C#N 158892067 344134977 /nfs/dbraw/zinc/13/49/77/344134977.db2.gz XJPHIXZEIWVKPS-VIFPVBQESA-N 1 1 184.283 1.239 10 30 ADEEMO CC(=O)/C=C1/CC[N@H+]2CCCC[C@H]12 160489964 344167513 /nfs/dbraw/zinc/16/75/13/344167513.db2.gz JAOXXDLSXKAWOO-HIJJYWJESA-N 1 1 179.263 1.760 10 30 ADEEMO Cc1ccncc1C[NH2+]C[C@H](C)C#N 162427007 344208070 /nfs/dbraw/zinc/20/80/70/344208070.db2.gz YJNYUKHEMGMPFE-SECBINFHSA-N 1 1 189.262 1.639 10 30 ADEEMO N[NH+]=C(N)c1cccc(F)c1Cl 162607806 344210811 /nfs/dbraw/zinc/21/08/11/344210811.db2.gz ORRLWWXKSBETPP-UHFFFAOYSA-N 1 1 187.605 1.058 10 30 ADEEMO C#CCCC[C@@]1(O)CCC[N@H+](C)CC1 163257474 344220970 /nfs/dbraw/zinc/22/09/70/344220970.db2.gz NDXXGMRAAKVIFD-GFCCVEGCSA-N 1 1 195.306 1.637 10 30 ADEEMO C#CCCC[C@]1(O)CCC[N@H+](C)CC1 163257604 344220995 /nfs/dbraw/zinc/22/09/95/344220995.db2.gz NDXXGMRAAKVIFD-LBPRGKRZSA-N 1 1 195.306 1.637 10 30 ADEEMO C=C[C@@H]([NH2+]C)c1csc(C)n1 163855713 344231742 /nfs/dbraw/zinc/23/17/42/344231742.db2.gz BVLYQILRSDMBDJ-SSDOTTSWSA-N 1 1 168.265 1.898 10 30 ADEEMO C=CC[C@H](C)Nc1cc(N)[nH+]cn1 165113303 344258541 /nfs/dbraw/zinc/25/85/41/344258541.db2.gz PDDINNJCSJBVLE-ZETCQYMHSA-N 1 1 178.239 1.435 10 30 ADEEMO C=CC[C@H](C)Nc1cc(N)nc[nH+]1 165113303 344258542 /nfs/dbraw/zinc/25/85/42/344258542.db2.gz PDDINNJCSJBVLE-ZETCQYMHSA-N 1 1 178.239 1.435 10 30 ADEEMO C=CCCNc1cc(N)[nH+]cn1 165113174 344258590 /nfs/dbraw/zinc/25/85/90/344258590.db2.gz JAUPBJOQZDYYOT-UHFFFAOYSA-N 1 1 164.212 1.047 10 30 ADEEMO C=CCCNc1cc(N)nc[nH+]1 165113174 344258591 /nfs/dbraw/zinc/25/85/91/344258591.db2.gz JAUPBJOQZDYYOT-UHFFFAOYSA-N 1 1 164.212 1.047 10 30 ADEEMO C=CCN(CC=C)c1cc(N)[nH+]cn1 165107757 344258614 /nfs/dbraw/zinc/25/86/14/344258614.db2.gz ZTOYEMOXCWUDGO-UHFFFAOYSA-N 1 1 190.250 1.237 10 30 ADEEMO CC#CCC[N@@H+]1C[C@H](C)NC[C@@H]1C 165146911 344259044 /nfs/dbraw/zinc/25/90/44/344259044.db2.gz KQNRZUQXLAYQJR-QWRGUYRKSA-N 1 1 180.295 1.082 10 30 ADEEMO CC#CCC[N@H+]1C[C@H](C)NC[C@@H]1C 165146911 344259045 /nfs/dbraw/zinc/25/90/45/344259045.db2.gz KQNRZUQXLAYQJR-QWRGUYRKSA-N 1 1 180.295 1.082 10 30 ADEEMO C#C[C@@H](C)Nc1cccc(C)[nH+]1 166898731 344292504 /nfs/dbraw/zinc/29/25/04/344292504.db2.gz TZFGCWNNHDJPHE-MRVPVSSYSA-N 1 1 160.220 1.824 10 30 ADEEMO CCC[C@@]([NH3+])(C#N)CC 167129040 344297832 /nfs/dbraw/zinc/29/78/32/344297832.db2.gz PXPRJVSVJCILMW-SSDOTTSWSA-N 1 1 126.203 1.418 10 30 ADEEMO CSCC[N@@H+](C)[C@@H]1CCC[C@@H]1C#N 167466821 344305944 /nfs/dbraw/zinc/30/59/44/344305944.db2.gz JFAMWXINTIUIAO-NXEZZACHSA-N 1 1 198.335 1.973 10 30 ADEEMO C=C(C)C[N@H+]1CCC(=O)C[C@H]1C 167607575 344309244 /nfs/dbraw/zinc/30/92/44/344309244.db2.gz CUJNWIZPNCXMPF-SECBINFHSA-N 1 1 167.252 1.616 10 30 ADEEMO C=C(C)C[N@@H+]1CCC(=O)C[C@H]1C 167607575 344309246 /nfs/dbraw/zinc/30/92/46/344309246.db2.gz CUJNWIZPNCXMPF-SECBINFHSA-N 1 1 167.252 1.616 10 30 ADEEMO C=C(C)C[N@@H+]1CCC(=O)[C@H](C)[C@@H]1C 167608687 344309461 /nfs/dbraw/zinc/30/94/61/344309461.db2.gz CFURYRWYGVJNSY-ZJUUUORDSA-N 1 1 181.279 1.862 10 30 ADEEMO C=C(C)C[N@@H+]1C[C@@H](C)NC[C@H]1C(C)C 167692017 344311426 /nfs/dbraw/zinc/31/14/26/344311426.db2.gz QDOOXJURTVNJIA-NEPJUHHUSA-N 1 1 196.338 1.881 10 30 ADEEMO C=C(C)CN1CCC[NH2+]C(C)(C)C1 167688603 344311697 /nfs/dbraw/zinc/31/16/97/344311697.db2.gz HLABTOOUDYXZAY-UHFFFAOYSA-N 1 1 182.311 1.636 10 30 ADEEMO C=C(C)C[N@@H+]1C[C@H](C)NC[C@H]1C(C)C 167692123 344311706 /nfs/dbraw/zinc/31/17/06/344311706.db2.gz QDOOXJURTVNJIA-RYUDHWBXSA-N 1 1 196.338 1.881 10 30 ADEEMO C=C(C)CN1C[C@H](C)[NH2+]C[C@H]1C(C)C 167692123 344311707 /nfs/dbraw/zinc/31/17/07/344311707.db2.gz QDOOXJURTVNJIA-RYUDHWBXSA-N 1 1 196.338 1.881 10 30 ADEEMO C=C(C)CC[N@@H+](CC)CC(=O)OCC 168019993 344319135 /nfs/dbraw/zinc/31/91/35/344319135.db2.gz DNPZSZSSHBBHGX-UHFFFAOYSA-N 1 1 199.294 1.838 10 30 ADEEMO C=C(C)CC[N@H+](CC)CC(=O)OCC 168019993 344319136 /nfs/dbraw/zinc/31/91/36/344319136.db2.gz DNPZSZSSHBBHGX-UHFFFAOYSA-N 1 1 199.294 1.838 10 30 ADEEMO N#C[C@@H]1C[NH2+]CC2(CCCC2)CO1 168772486 344336952 /nfs/dbraw/zinc/33/69/52/344336952.db2.gz LNTULNJNBKGDCY-SECBINFHSA-N 1 1 180.251 1.059 10 30 ADEEMO C[C@H]1C[C@H]([NH3+])CCN1CCCC#N 168982920 344341669 /nfs/dbraw/zinc/34/16/69/344341669.db2.gz AZMJYWPUDGPTKA-VHSXEESVSA-N 1 1 181.283 1.102 10 30 ADEEMO C=CCC[N@H+]1CCCNC(C)(C)C1 168985330 344342058 /nfs/dbraw/zinc/34/20/58/344342058.db2.gz LCSPZJPEZNBLBI-UHFFFAOYSA-N 1 1 182.311 1.636 10 30 ADEEMO C=CCCN1CCC[NH2+]C(C)(C)C1 168985330 344342060 /nfs/dbraw/zinc/34/20/60/344342060.db2.gz LCSPZJPEZNBLBI-UHFFFAOYSA-N 1 1 182.311 1.636 10 30 ADEEMO C=C(C)CCN1CCC[C@@H]([NH3+])C1 169090851 344344693 /nfs/dbraw/zinc/34/46/93/344344693.db2.gz NQPPQGQVVIEXAO-SNVBAGLBSA-N 1 1 168.284 1.376 10 30 ADEEMO C=C(C)CCN1CCC[C@H]([NH3+])C1 169090756 344344744 /nfs/dbraw/zinc/34/47/44/344344744.db2.gz NQPPQGQVVIEXAO-JTQLQIEISA-N 1 1 168.284 1.376 10 30 ADEEMO C=C(C)CC[N@@H+]1CCC[C@H](N)C1 169090756 344344745 /nfs/dbraw/zinc/34/47/45/344344745.db2.gz NQPPQGQVVIEXAO-JTQLQIEISA-N 1 1 168.284 1.376 10 30 ADEEMO C=C(C)CC[NH2+][C@H](C(=O)OC)C(C)C 168957363 344340946 /nfs/dbraw/zinc/34/09/46/344340946.db2.gz XGHJVUAIJHHZLK-JTQLQIEISA-N 1 1 199.294 1.740 10 30 ADEEMO C[C@@H]1C[C@@H]([NH3+])CCN1CCCC#N 168982997 344341601 /nfs/dbraw/zinc/34/16/01/344341601.db2.gz AZMJYWPUDGPTKA-ZJUUUORDSA-N 1 1 181.283 1.102 10 30 ADEEMO C[C@H]1C[C@@H]([NH3+])CCN1CCCC#N 168983083 344341612 /nfs/dbraw/zinc/34/16/12/344341612.db2.gz AZMJYWPUDGPTKA-UWVGGRQHSA-N 1 1 181.283 1.102 10 30 ADEEMO C=C(C)C[N@@H+](C)CCN1CCCC1 205345939 344371152 /nfs/dbraw/zinc/37/11/52/344371152.db2.gz GKGBZGCZAONROT-UHFFFAOYSA-N 1 1 182.311 1.590 10 30 ADEEMO C[C@@H]1CCC[N@@H+](CC[C@@H](N)C#N)CC1 216830650 344399596 /nfs/dbraw/zinc/39/95/96/344399596.db2.gz CPUJLJPGYSTWLG-GHMZBOCLSA-N 1 1 195.310 1.349 10 30 ADEEMO CC[C@H](CC#N)[N@H+]1CCCO[C@@H](C)C1 217571203 344403479 /nfs/dbraw/zinc/40/34/79/344403479.db2.gz ASSSPVMDKKQXLK-WDEREUQCSA-N 1 1 196.294 1.789 10 30 ADEEMO CC[C@@H](CC#N)[N@H+]1CCCO[C@@H](C)C1 217571123 344403534 /nfs/dbraw/zinc/40/35/34/344403534.db2.gz ASSSPVMDKKQXLK-QWRGUYRKSA-N 1 1 196.294 1.789 10 30 ADEEMO C[C@H](C#N)C[N@H+]1CCCO[C@@H](C)C1 217571055 344403564 /nfs/dbraw/zinc/40/35/64/344403564.db2.gz APWKDBSITRTQDF-ZJUUUORDSA-N 1 1 182.267 1.257 10 30 ADEEMO C[C@H]1C[N@@H+]([C@H](C)CC#N)CCCO1 217573509 344403595 /nfs/dbraw/zinc/40/35/95/344403595.db2.gz FAEGYSODKYZPNI-ZJUUUORDSA-N 1 1 182.267 1.399 10 30 ADEEMO CC[C@@H]1CCC[N@H+]1C[C@@](C)(N)C#N 218821918 344416796 /nfs/dbraw/zinc/41/67/96/344416796.db2.gz ZTJNKGODVCIZJE-ZJUUUORDSA-N 1 1 181.283 1.102 10 30 ADEEMO CC[C@H]1CCC[N@H+]1C[C@@](C)(N)C#N 218821989 344416813 /nfs/dbraw/zinc/41/68/13/344416813.db2.gz ZTJNKGODVCIZJE-UWVGGRQHSA-N 1 1 181.283 1.102 10 30 ADEEMO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H](N)C#N 219192065 344421084 /nfs/dbraw/zinc/42/10/84/344421084.db2.gz LEYOFPIXFOTQTI-BBBLOLIVSA-N 1 1 181.283 1.100 10 30 ADEEMO C[C@@]([NH3+])(C#N)C1CCC1 219145951 344420670 /nfs/dbraw/zinc/42/06/70/344420670.db2.gz QNTDNXIFQZUIMP-SSDOTTSWSA-N 1 1 124.187 1.027 10 30 ADEEMO C#CCC[NH2+][C@@H]1CCN2CCCC[C@@H]12 223353675 344460262 /nfs/dbraw/zinc/46/02/62/344460262.db2.gz IAIXZKSGWHXDRM-NEPJUHHUSA-N 1 1 192.306 1.226 10 30 ADEEMO C#CCC[N@@H+]1C[C@@](C)(CC)NC[C@@H]1C 225805280 344488006 /nfs/dbraw/zinc/48/80/06/344488006.db2.gz ZKSHFZNNRKOIFI-NWDGAFQWSA-N 1 1 194.322 1.472 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CC[C@@](C)(O)C1 226211607 344495220 /nfs/dbraw/zinc/49/52/20/344495220.db2.gz CEKWCVNHSRUZBQ-RKDXNWHRSA-N 1 1 155.241 1.018 10 30 ADEEMO C[C@@H](CC#N)[N@@H+](C)[C@@H]1CCC[C@H]1O 226285366 344497909 /nfs/dbraw/zinc/49/79/09/344497909.db2.gz FCIBHPQKYPDVON-IVZWLZJFSA-N 1 1 182.267 1.134 10 30 ADEEMO CCCN[C@@]1(C#N)CC[N@@H+](C)[C@@H](C)C1 226838570 344515279 /nfs/dbraw/zinc/51/52/79/344515279.db2.gz SRRQWWLDQOGVQP-QWRGUYRKSA-N 1 1 195.310 1.362 10 30 ADEEMO CC#CCC[N@H+]1C[C@@H](CC)NC[C@@H]1C 226994093 344518772 /nfs/dbraw/zinc/51/87/72/344518772.db2.gz ZSDKSJOZXHVKFZ-NWDGAFQWSA-N 1 1 194.322 1.472 10 30 ADEEMO CC#CCC[N@@H+]1C[C@@H](CC)NC[C@@H]1C 226994093 344518773 /nfs/dbraw/zinc/51/87/73/344518773.db2.gz ZSDKSJOZXHVKFZ-NWDGAFQWSA-N 1 1 194.322 1.472 10 30 ADEEMO C=CC[C@H](O)C1C[C@@H]2CC[C@H](C1)[N@H+]2C 227125022 344523287 /nfs/dbraw/zinc/52/32/87/344523287.db2.gz UAMUBHXAYNOFKI-YATPEIPISA-N 1 1 195.306 1.796 10 30 ADEEMO O=CC[N@H+]1CCC[C@H]2CCC[C@@H]21 227171361 344524674 /nfs/dbraw/zinc/52/46/74/344524674.db2.gz KXTHSQMJZPWIRT-ZJUUUORDSA-N 1 1 167.252 1.450 10 30 ADEEMO CC[N@@H+](C)[C@@H]1CCC[C@](C#N)(NC)C1 227312747 344528151 /nfs/dbraw/zinc/52/81/51/344528151.db2.gz KEAFPOMXEZZGOO-MNOVXSKESA-N 1 1 195.310 1.362 10 30 ADEEMO C[C@@H]1C[N@@H+]([C@H](C)CC#N)C[C@@H]1C 227326465 344528686 /nfs/dbraw/zinc/52/86/86/344528686.db2.gz HWQCPOKCVBMOBD-KXUCPTDWSA-N 1 1 166.268 1.876 10 30 ADEEMO C#CC[NH2+][C@]1(CN)CC[C@@H](C)C[C@@H]1C 227320151 344528717 /nfs/dbraw/zinc/52/87/17/344528717.db2.gz MECVUXKGWMJUBJ-WOPDTQHZSA-N 1 1 194.322 1.363 10 30 ADEEMO C#CC[NH2+][C@]1(CN)CCC[C@@H](C)[C@@H]1C 227320360 344528729 /nfs/dbraw/zinc/52/87/29/344528729.db2.gz UMIBTKBHTQKLCF-WOPDTQHZSA-N 1 1 194.322 1.363 10 30 ADEEMO C#CCN1C[C@@H]2CCC[N@@H+]2C[C@@H]1CC 227417772 344530516 /nfs/dbraw/zinc/53/05/16/344530516.db2.gz GYJKYEJKGLQVQH-RYUDHWBXSA-N 1 1 192.306 1.178 10 30 ADEEMO C=CC[C@@H](C)[NH2+][C@@H](C(=O)OC)C1CC1 227770238 344546529 /nfs/dbraw/zinc/54/65/29/344546529.db2.gz BVUIPGUQEKYWBG-PSASIEDQSA-N 1 1 197.278 1.492 10 30 ADEEMO C=CC[C@@]1(O)CC[N@H+]2CCCC[C@H]21 228266383 344561414 /nfs/dbraw/zinc/56/14/14/344561414.db2.gz POBASPCZGBHOFE-WDEREUQCSA-N 1 1 181.279 1.552 10 30 ADEEMO CC[C@@H]1CCCCC[N@H+]1C[C@@H](N)C#N 228572334 344563572 /nfs/dbraw/zinc/56/35/72/344563572.db2.gz MDEBZPNMZMTUPM-WDEREUQCSA-N 1 1 195.310 1.492 10 30 ADEEMO CC(C)[C@H]1CC[N@@H+](C[C@@](C)(N)C#N)C1 228792970 344569286 /nfs/dbraw/zinc/56/92/86/344569286.db2.gz QZZNLQISETVRCO-QWRGUYRKSA-N 1 1 195.310 1.205 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CCNC[C@@H]1C 228954682 344577245 /nfs/dbraw/zinc/57/72/45/344577245.db2.gz RIWUNIKNPXOHAP-ZJUUUORDSA-N 1 1 168.284 1.245 10 30 ADEEMO C#CC[C@H](C)[N@@H+]1CCNC[C@H]1C(C)C 229041157 344580311 /nfs/dbraw/zinc/58/03/11/344580311.db2.gz AHSCTVAWWLUMGP-RYUDHWBXSA-N 1 1 194.322 1.328 10 30 ADEEMO C#CC[C@H](C)N1CC[NH2+]C[C@H]1C(C)C 229041157 344580312 /nfs/dbraw/zinc/58/03/12/344580312.db2.gz AHSCTVAWWLUMGP-RYUDHWBXSA-N 1 1 194.322 1.328 10 30 ADEEMO C#CC[C@H](C)[N@H+]1CCN[C@H](C(C)C)C1 229041042 344580327 /nfs/dbraw/zinc/58/03/27/344580327.db2.gz KQLQLOWTNJKWEC-RYUDHWBXSA-N 1 1 194.322 1.328 10 30 ADEEMO C#CC[C@H](C)[N@@H+]1CCN[C@H](C(C)C)C1 229041042 344580328 /nfs/dbraw/zinc/58/03/28/344580328.db2.gz KQLQLOWTNJKWEC-RYUDHWBXSA-N 1 1 194.322 1.328 10 30 ADEEMO C#CC[C@H](C)[N@@H+]1CCNC[C@@H]1CC 229039163 344580338 /nfs/dbraw/zinc/58/03/38/344580338.db2.gz IHJNZMPPAITFEM-QWRGUYRKSA-N 1 1 180.295 1.082 10 30 ADEEMO C#CC[C@H](C)N1CC[NH2+]C[C@@H]1CC 229039163 344580339 /nfs/dbraw/zinc/58/03/39/344580339.db2.gz IHJNZMPPAITFEM-QWRGUYRKSA-N 1 1 180.295 1.082 10 30 ADEEMO C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](C[C@@H]2CO2)C1 229391931 344593805 /nfs/dbraw/zinc/59/38/05/344593805.db2.gz ZKQUTWLWTUJPJM-GWOFURMSSA-N 1 1 183.295 1.752 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCC(=O)C[C@@H]1C 229233219 344586975 /nfs/dbraw/zinc/58/69/75/344586975.db2.gz JQWVIDKUKIRXMT-BDAKNGLRSA-N 1 1 167.252 1.614 10 30 ADEEMO C=C[C@H](C)[N@@H+]1CC(C)(C)NC[C@@H]1C 229288105 344588860 /nfs/dbraw/zinc/58/88/60/344588860.db2.gz JBTJDFRMMHSTRL-UWVGGRQHSA-N 1 1 182.311 1.633 10 30 ADEEMO C=C[C@H](C)[N@H+]1CC(C)(C)NC[C@@H]1C 229288105 344588861 /nfs/dbraw/zinc/58/88/61/344588861.db2.gz JBTJDFRMMHSTRL-UWVGGRQHSA-N 1 1 182.311 1.633 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CC(C)(C)NC[C@@H]1C 229288119 344588891 /nfs/dbraw/zinc/58/88/91/344588891.db2.gz JBTJDFRMMHSTRL-ZJUUUORDSA-N 1 1 182.311 1.633 10 30 ADEEMO C=C[C@H](C)[N@@H+]1C[C@H](C)NC[C@H]1CC 229287400 344588973 /nfs/dbraw/zinc/58/89/73/344588973.db2.gz CAZOBFYJXFBPOJ-GARJFASQSA-N 1 1 182.311 1.633 10 30 ADEEMO C=C[C@H](C)[N@@H+]1C[C@@H](CC)NC[C@@H]1C 229289899 344589028 /nfs/dbraw/zinc/58/90/28/344589028.db2.gz DQFAZCDDEUTGGM-GARJFASQSA-N 1 1 182.311 1.633 10 30 ADEEMO C=C[C@@H](C)[N@@H+]1CCNC(C)(C)C1 229289771 344589087 /nfs/dbraw/zinc/58/90/87/344589087.db2.gz QNQMDCJUJORMGZ-SECBINFHSA-N 1 1 168.284 1.245 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCNC(C)(C)C1 229289771 344589089 /nfs/dbraw/zinc/58/90/89/344589089.db2.gz QNQMDCJUJORMGZ-SECBINFHSA-N 1 1 168.284 1.245 10 30 ADEEMO C=C[C@H](C)[N@H+]1C[C@H](C)NC[C@@H]1CC 229287408 344589116 /nfs/dbraw/zinc/58/91/16/344589116.db2.gz CAZOBFYJXFBPOJ-DCAQKATOSA-N 1 1 182.311 1.633 10 30 ADEEMO C=C[C@@H](C)Nc1ccc[nH+]c1N 229317428 344591290 /nfs/dbraw/zinc/59/12/90/344591290.db2.gz XLDNFWNYLVPSCM-SSDOTTSWSA-N 1 1 163.224 1.650 10 30 ADEEMO C#C[C@H](C)[N@@H+]1CCC[C@@H](C)[C@@H]1CN 229560886 344603932 /nfs/dbraw/zinc/60/39/32/344603932.db2.gz SVURVZZYGFFDOU-VWYCJHECSA-N 1 1 180.295 1.067 10 30 ADEEMO C=CC[N@@H+]1CCC(=O)[C@@H](CC)C1 229756398 344614494 /nfs/dbraw/zinc/61/44/94/344614494.db2.gz VJVVHBVCHFFOOM-VIFPVBQESA-N 1 1 167.252 1.473 10 30 ADEEMO C#CCCC[N@@H+]1CCC(=O)C[C@@H]1C 229815862 344616947 /nfs/dbraw/zinc/61/69/47/344616947.db2.gz BZMAAGOPYRGOJN-JTQLQIEISA-N 1 1 179.263 1.453 10 30 ADEEMO C#CCCC[N@@H+]1CCC(=O)C[C@H]1C 229815870 344616970 /nfs/dbraw/zinc/61/69/70/344616970.db2.gz BZMAAGOPYRGOJN-SNVBAGLBSA-N 1 1 179.263 1.453 10 30 ADEEMO C#C[C@H](CC)[N@@H+]1CCNC[C@@H]1C(C)C 229876473 344618527 /nfs/dbraw/zinc/61/85/27/344618527.db2.gz MRZXRVQGQGPYNZ-VXGBXAGGSA-N 1 1 194.322 1.328 10 30 ADEEMO C#C[C@H](CC)[N@H+]1CCNC[C@@H]1C(C)C 229876473 344618529 /nfs/dbraw/zinc/61/85/29/344618529.db2.gz MRZXRVQGQGPYNZ-VXGBXAGGSA-N 1 1 194.322 1.328 10 30 ADEEMO C#C[C@H](CC)N1CC[N@H+]2CCC[C@@H]2C1 229877728 344618595 /nfs/dbraw/zinc/61/85/95/344618595.db2.gz CFVBLGRRGYXWIO-VXGBXAGGSA-N 1 1 192.306 1.178 10 30 ADEEMO C#C[C@@H](CC)[N@@H+]1CCNC[C@@H]1C(C)C 229876468 344618745 /nfs/dbraw/zinc/61/87/45/344618745.db2.gz MRZXRVQGQGPYNZ-NWDGAFQWSA-N 1 1 194.322 1.328 10 30 ADEEMO C#C[C@@H](CC)[N@H+]1CCNC[C@@H]1C(C)C 229876468 344618747 /nfs/dbraw/zinc/61/87/47/344618747.db2.gz MRZXRVQGQGPYNZ-NWDGAFQWSA-N 1 1 194.322 1.328 10 30 ADEEMO C#C[C@@H](CC)[NH2+][C@@H]1CCCN(C)CC1 229894857 344619308 /nfs/dbraw/zinc/61/93/08/344619308.db2.gz UCKYWZKSMGJZDY-NWDGAFQWSA-N 1 1 194.322 1.472 10 30 ADEEMO C#C[C@@H](CC)N[C@@H]1CCC[N@H+](C)CC1 229894857 344619309 /nfs/dbraw/zinc/61/93/09/344619309.db2.gz UCKYWZKSMGJZDY-NWDGAFQWSA-N 1 1 194.322 1.472 10 30 ADEEMO C#C[C@@H](CC)N[C@@H]1CCC[N@@H+](C)CC1 229894857 344619311 /nfs/dbraw/zinc/61/93/11/344619311.db2.gz UCKYWZKSMGJZDY-NWDGAFQWSA-N 1 1 194.322 1.472 10 30 ADEEMO C#C[C@@H](CC)[N@@H+]1CCC(=O)[C@@H](C)C1 229861459 344618561 /nfs/dbraw/zinc/61/85/61/344618561.db2.gz OCXDJUDJPMTHDE-UWVGGRQHSA-N 1 1 179.263 1.309 10 30 ADEEMO C#C[C@@H](CC)[N@H+]1CCC(=O)[C@@H](C)C1 229861459 344618563 /nfs/dbraw/zinc/61/85/63/344618563.db2.gz OCXDJUDJPMTHDE-UWVGGRQHSA-N 1 1 179.263 1.309 10 30 ADEEMO C#C[C@@H](CCC)[N@@H+]1CCC(=O)[C@@H](C)C1 229861531 344618572 /nfs/dbraw/zinc/61/85/72/344618572.db2.gz DUYNLRJTFHCJJX-QWRGUYRKSA-N 1 1 193.290 1.699 10 30 ADEEMO C#C[C@@H](CCC)[N@H+]1CCC(=O)[C@@H](C)C1 229861531 344618573 /nfs/dbraw/zinc/61/85/73/344618573.db2.gz DUYNLRJTFHCJJX-QWRGUYRKSA-N 1 1 193.290 1.699 10 30 ADEEMO C#C[C@H](CC)[N@@H+]1CCC(=O)[C@@H](C)C1 229861465 344618580 /nfs/dbraw/zinc/61/85/80/344618580.db2.gz OCXDJUDJPMTHDE-VHSXEESVSA-N 1 1 179.263 1.309 10 30 ADEEMO C#C[C@H](CC)[N@H+]1CCC(=O)[C@@H](C)C1 229861465 344618582 /nfs/dbraw/zinc/61/85/82/344618582.db2.gz OCXDJUDJPMTHDE-VHSXEESVSA-N 1 1 179.263 1.309 10 30 ADEEMO C#C[C@@H](CC)Nc1[nH+]cccc1N 230024432 344624244 /nfs/dbraw/zinc/62/42/44/344624244.db2.gz FVRUHLAGIWEWHT-QMMMGPOBSA-N 1 1 175.235 1.488 10 30 ADEEMO C#CCC[C@@]1(O)C[C@@H](C)[N@H+](C2CC2)C1 229945836 344621158 /nfs/dbraw/zinc/62/11/58/344621158.db2.gz GZJSARGVWYKQTO-ZYHUDNBSSA-N 1 1 193.290 1.388 10 30 ADEEMO C#C[C@@H](CCC)Nc1[nH+]cccc1N 230024698 344624275 /nfs/dbraw/zinc/62/42/75/344624275.db2.gz YGEZBJCNTQRGPO-VIFPVBQESA-N 1 1 189.262 1.878 10 30 ADEEMO C#C[C@@H](CC)Nc1ccc(N)c[nH+]1 230024386 344624313 /nfs/dbraw/zinc/62/43/13/344624313.db2.gz MRTDMJGZGJHWCJ-VIFPVBQESA-N 1 1 175.235 1.488 10 30 ADEEMO C#C[C@H](CCC)Nc1[nH+]cccc1N 230024702 344624335 /nfs/dbraw/zinc/62/43/35/344624335.db2.gz YGEZBJCNTQRGPO-SECBINFHSA-N 1 1 189.262 1.878 10 30 ADEEMO C#CC[N@@H+]1CCC[C@](C)(OC)C1 230282054 344630322 /nfs/dbraw/zinc/63/03/22/344630322.db2.gz DYEWYLQOGAQATN-JTQLQIEISA-N 1 1 167.252 1.121 10 30 ADEEMO C[C@@H](C#N)C[N@H+]1CCC[C@@](C)(O)CC1 230352434 344631312 /nfs/dbraw/zinc/63/13/12/344631312.db2.gz PFTACWFXTZNSES-WDEREUQCSA-N 1 1 196.294 1.383 10 30 ADEEMO CO[C@@H]1C[N@@H+](CCS)CC[C@@H]1C 230361003 344631836 /nfs/dbraw/zinc/63/18/36/344631836.db2.gz GUOGIMGVXZBABF-DTWKUNHWSA-N 1 1 189.324 1.273 10 30 ADEEMO CC1(C)CC[N@@H+](CC=O)CCS1 231055598 344647800 /nfs/dbraw/zinc/64/78/00/344647800.db2.gz NFDFVUKAJKNXJY-UHFFFAOYSA-N 1 1 187.308 1.403 10 30 ADEEMO C=C(CN)C[N@H+]1CCC[C@H](C)[C@@H]1C 231613616 344655137 /nfs/dbraw/zinc/65/51/37/344655137.db2.gz MDDATKHSLZQUKC-QWRGUYRKSA-N 1 1 182.311 1.622 10 30 ADEEMO C=C(CS)C[N@@H+]1CC[C@H](C)C1 231632191 344655445 /nfs/dbraw/zinc/65/54/45/344655445.db2.gz JRPKBYZYLSGMIJ-QMMMGPOBSA-N 1 1 171.309 1.814 10 30 ADEEMO C=C(CS)Cn1cc[nH+]c1C 231634803 344655454 /nfs/dbraw/zinc/65/54/54/344655454.db2.gz NGCUBAKWPGVBHH-UHFFFAOYSA-N 1 1 168.265 1.678 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCN[C@@](C)(CC)C1 232033461 344670045 /nfs/dbraw/zinc/67/00/45/344670045.db2.gz CMLGRJPJFBMWPI-MNOVXSKESA-N 1 1 182.311 1.635 10 30 ADEEMO C#CC[N@@H+]1CCCN(C)C[C@@H]1CC 234063438 344711461 /nfs/dbraw/zinc/71/14/61/344711461.db2.gz QZFHLRRXKLEFIY-NSHDSACASA-N 1 1 180.295 1.036 10 30 ADEEMO C#CCN(C)c1[nH+]cc(C)cc1N 234254966 344715797 /nfs/dbraw/zinc/71/57/97/344715797.db2.gz XQYJGFYRXZLDRW-UHFFFAOYSA-N 1 1 175.235 1.042 10 30 ADEEMO C#C[C@@H](C)Nc1[nH+]cccc1N 235304163 344742402 /nfs/dbraw/zinc/74/24/02/344742402.db2.gz NYGYGMSTKVDHFM-SSDOTTSWSA-N 1 1 161.208 1.097 10 30 ADEEMO C#CCC[N@@H+]1CCCN(C)C[C@@H]1C 235615974 344759601 /nfs/dbraw/zinc/75/96/01/344759601.db2.gz RDRFFPXIHLZCCA-NSHDSACASA-N 1 1 180.295 1.036 10 30 ADEEMO C#C[C@H]([NH3+])c1cnc(C)s1 235837263 344768558 /nfs/dbraw/zinc/76/85/58/344768558.db2.gz OZQYWNQVVJTLKE-LURJTMIESA-N 1 1 152.222 1.085 10 30 ADEEMO N#Cc1cccc([C@@H]([NH3+])C(F)F)c1 238653950 344817069 /nfs/dbraw/zinc/81/70/69/344817069.db2.gz ZSULWLYCLUNADY-MRVPVSSYSA-N 1 1 182.173 1.823 10 30 ADEEMO COCCC[N@@H+](C)[C@@H]1CCC[C@H]1C#N 249999643 344829298 /nfs/dbraw/zinc/82/92/98/344829298.db2.gz QZGYWOZBJGGOSH-WDEREUQCSA-N 1 1 196.294 1.647 10 30 ADEEMO CC[N@H+]1CCN(C[C@H](C)C#N)C[C@@H]1C 250358193 344832308 /nfs/dbraw/zinc/83/23/08/344832308.db2.gz SQEYQFGEYRTCOS-MNOVXSKESA-N 1 1 195.310 1.172 10 30 ADEEMO C#CCN(C)C[C@@H]1CCCCC[C@H]1[NH3+] 250383032 344833422 /nfs/dbraw/zinc/83/34/22/344833422.db2.gz JQPIZNYJSXCECM-NWDGAFQWSA-N 1 1 194.322 1.459 10 30 ADEEMO C#CCN(C)C[C@H]1CCCCC[C@H]1[NH3+] 250383035 344833447 /nfs/dbraw/zinc/83/34/47/344833447.db2.gz JQPIZNYJSXCECM-VXGBXAGGSA-N 1 1 194.322 1.459 10 30 ADEEMO C=CCN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 250531789 344835850 /nfs/dbraw/zinc/83/58/50/344835850.db2.gz UNDYCLPPNWQROQ-NWDGAFQWSA-N 1 1 194.322 1.636 10 30 ADEEMO CCOCC[N@H+](C)[C@@H]1CCC[C@H]1C#N 250529058 344835972 /nfs/dbraw/zinc/83/59/72/344835972.db2.gz RJFWFFWIGRLOPC-WDEREUQCSA-N 1 1 196.294 1.647 10 30 ADEEMO CCOCC[N@@H+](C)[C@@H]1CCC[C@H]1C#N 250529058 344835973 /nfs/dbraw/zinc/83/59/73/344835973.db2.gz RJFWFFWIGRLOPC-WDEREUQCSA-N 1 1 196.294 1.647 10 30 ADEEMO CC#CCN1C[C@@H](C[NH3+])CC[C@H]1C 250530453 344835986 /nfs/dbraw/zinc/83/59/86/344835986.db2.gz SKSQZRATHTYOQV-GHMZBOCLSA-N 1 1 180.295 1.069 10 30 ADEEMO O=CC[N@H+]1CC[C@H]2CCCC[C@H]2C1 250817584 344841967 /nfs/dbraw/zinc/84/19/67/344841967.db2.gz FOYSOVJDMRKSFX-MNOVXSKESA-N 1 1 181.279 1.697 10 30 ADEEMO C[C@H](C#N)N1CCC[N@H+]2CCC[C@H]2C1 251048649 344845228 /nfs/dbraw/zinc/84/52/28/344845228.db2.gz RJEPWKANODBETM-MNOVXSKESA-N 1 1 193.294 1.069 10 30 ADEEMO C[C@@H](C#N)N1CCC[N@H+]2CCC[C@H]2C1 251048654 344845261 /nfs/dbraw/zinc/84/52/61/344845261.db2.gz RJEPWKANODBETM-QWRGUYRKSA-N 1 1 193.294 1.069 10 30 ADEEMO C1C[C@H]2[C@H](C1)CCC[N@@H+]2C[C@H]1CO1 251155680 344848160 /nfs/dbraw/zinc/84/81/60/344848160.db2.gz KSKLFRCSMJBVHT-VWYCJHECSA-N 1 1 181.279 1.650 10 30 ADEEMO C=C(CC)C[N@H+]1C[C@H](C)NC[C@H]1C 251222981 344850244 /nfs/dbraw/zinc/85/02/44/344850244.db2.gz NJWUOPKLMLEIEW-WDEREUQCSA-N 1 1 182.311 1.635 10 30 ADEEMO CC[C@@H](C#N)[N@@H+]1CCC[C@H]1C 251260787 344850941 /nfs/dbraw/zinc/85/09/41/344850941.db2.gz YCKXDLJBNJOZNW-BDAKNGLRSA-N 1 1 152.241 1.773 10 30 ADEEMO CC[C@@H](C#N)[N@H+]1CCC[C@H]1C 251260787 344850942 /nfs/dbraw/zinc/85/09/42/344850942.db2.gz YCKXDLJBNJOZNW-BDAKNGLRSA-N 1 1 152.241 1.773 10 30 ADEEMO C[C@H]1CCC[N@@H+](C[C@H]2CO2)CC1 252090501 344883920 /nfs/dbraw/zinc/88/39/20/344883920.db2.gz DNWKVZXXERYWHC-UWVGGRQHSA-N 1 1 169.268 1.507 10 30 ADEEMO C[C@@H]1CCC[N@@H+](C[C@H]2CO2)CC1 252090502 344883968 /nfs/dbraw/zinc/88/39/68/344883968.db2.gz DNWKVZXXERYWHC-ZJUUUORDSA-N 1 1 169.268 1.507 10 30 ADEEMO C[C@@H]1CCC[N@@H+](C[C@H]2CO2)[C@@H]1C 252215212 344893269 /nfs/dbraw/zinc/89/32/69/344893269.db2.gz XLMSHIILYQCZHE-BBBLOLIVSA-N 1 1 169.268 1.506 10 30 ADEEMO CC1=[NH+]C(=NO)C[C@@H]2CCCN12 252675232 344907843 /nfs/dbraw/zinc/90/78/43/344907843.db2.gz YUBHEUZQMFZNSJ-ZETCQYMHSA-N 1 1 167.212 1.061 10 30 ADEEMO C#CCCCN1CC[C@H](C)[C@H]([NH3+])C1 252774769 344913394 /nfs/dbraw/zinc/91/33/94/344913394.db2.gz WVRHPIIVRUEUTO-WDEREUQCSA-N 1 1 180.295 1.069 10 30 ADEEMO C#C[C@H](CC)[N@@H+]1C[C@H](C)NC[C@@H]1C 252953694 344921857 /nfs/dbraw/zinc/92/18/57/344921857.db2.gz QGGRMCIOGUKYQG-GARJFASQSA-N 1 1 180.295 1.080 10 30 ADEEMO C#C[C@H](CC)[N@H+]1C[C@H](C)NC[C@@H]1C 252953694 344921859 /nfs/dbraw/zinc/92/18/59/344921859.db2.gz QGGRMCIOGUKYQG-GARJFASQSA-N 1 1 180.295 1.080 10 30 ADEEMO C#CC[C@H](CC)[N@H+]1CCNC[C@H]1C 252962216 344922925 /nfs/dbraw/zinc/92/29/25/344922925.db2.gz VQZURRKRPFZGSD-MNOVXSKESA-N 1 1 180.295 1.082 10 30 ADEEMO C#CC[C@H](CC)N1CC[NH2+]C[C@H]1C 252962216 344922926 /nfs/dbraw/zinc/92/29/26/344922926.db2.gz VQZURRKRPFZGSD-MNOVXSKESA-N 1 1 180.295 1.082 10 30 ADEEMO C=C[C@H](C)N1CCC[NH2+][C@H](C)C1 252962473 344923017 /nfs/dbraw/zinc/92/30/17/344923017.db2.gz VSTJWIJGCNOPAA-ZJUUUORDSA-N 1 1 168.284 1.245 10 30 ADEEMO C=C[C@H](C)N[C@@H]1CC[N@H+]2CCCC[C@H]12 252967669 344923601 /nfs/dbraw/zinc/92/36/01/344923601.db2.gz YELAQTZNLXIBRI-QJPTWQEYSA-N 1 1 194.322 1.777 10 30 ADEEMO C=C[C@H](C)[NH2+][C@@H]1CCN2CCCC[C@H]12 252967669 344923604 /nfs/dbraw/zinc/92/36/04/344923604.db2.gz YELAQTZNLXIBRI-QJPTWQEYSA-N 1 1 194.322 1.777 10 30 ADEEMO C=C[C@H](C)N[C@H]1CC[N@H+]2CCCC[C@H]12 252967670 344923608 /nfs/dbraw/zinc/92/36/08/344923608.db2.gz YELAQTZNLXIBRI-SDDRHHMPSA-N 1 1 194.322 1.777 10 30 ADEEMO C=C[C@H](C)[NH2+][C@H]1CCN2CCCC[C@H]12 252967670 344923611 /nfs/dbraw/zinc/92/36/11/344923611.db2.gz YELAQTZNLXIBRI-SDDRHHMPSA-N 1 1 194.322 1.777 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCC(=O)[C@@H](C)[C@H]1C 252971144 344923613 /nfs/dbraw/zinc/92/36/13/344923613.db2.gz ZXXJOBSCSYFCQV-LPEHRKFASA-N 1 1 181.279 1.860 10 30 ADEEMO C[C@@H]1C[N@H+](CCC=O)CC[C@H]1C 253056722 344925156 /nfs/dbraw/zinc/92/51/56/344925156.db2.gz AVSBNDAEILJDDW-NXEZZACHSA-N 1 1 169.268 1.553 10 30 ADEEMO C[C@H]1CC[N@@H+](CC=O)C[C@H]1C 253060131 344925786 /nfs/dbraw/zinc/92/57/86/344925786.db2.gz CWHKSBTZBJECPT-DTWKUNHWSA-N 1 1 155.241 1.163 10 30 ADEEMO CC#CCC[N@@H+]1C[C@@H](C)NC[C@H]1C 252829739 344915468 /nfs/dbraw/zinc/91/54/68/344915468.db2.gz KQNRZUQXLAYQJR-GHMZBOCLSA-N 1 1 180.295 1.082 10 30 ADEEMO CC#CCC[N@H+]1C[C@@H](C)NC[C@H]1C 252829739 344915469 /nfs/dbraw/zinc/91/54/69/344915469.db2.gz KQNRZUQXLAYQJR-GHMZBOCLSA-N 1 1 180.295 1.082 10 30 ADEEMO CC(C)[C@H]1CC[N@@H+](C[C@H]2CO2)C1 252870513 344917290 /nfs/dbraw/zinc/91/72/90/344917290.db2.gz SKXPQLXCWNWKOO-UWVGGRQHSA-N 1 1 169.268 1.363 10 30 ADEEMO CC[C@@H]1CC[N@@H+](C[C@H](C)C#N)C1 252870220 344917316 /nfs/dbraw/zinc/91/73/16/344917316.db2.gz SGQPGQRXZCWXQN-NXEZZACHSA-N 1 1 166.268 1.878 10 30 ADEEMO CC(C)[C@H]1CC[N@H+]([C@H](C)C(N)=NO)C1 252881989 344917924 /nfs/dbraw/zinc/91/79/24/344917924.db2.gz ZBUSHJROWHNFNN-BDAKNGLRSA-N 1 1 199.298 1.099 10 30 ADEEMO CC(C)[C@@H]1CC[N@H+]([C@H](C)C(N)=NO)C1 252881990 344917935 /nfs/dbraw/zinc/91/79/35/344917935.db2.gz ZBUSHJROWHNFNN-RKDXNWHRSA-N 1 1 199.298 1.099 10 30 ADEEMO C=C[C@H](C)[N@H+]1C[C@H](CC)NC[C@H]1C 252934428 344919840 /nfs/dbraw/zinc/91/98/40/344919840.db2.gz DQFAZCDDEUTGGM-AXFHLTTASA-N 1 1 182.311 1.633 10 30 ADEEMO C=C[C@H](C)[N@@H+]1C[C@H](CC)NC[C@H]1C 252934428 344919841 /nfs/dbraw/zinc/91/98/41/344919841.db2.gz DQFAZCDDEUTGGM-AXFHLTTASA-N 1 1 182.311 1.633 10 30 ADEEMO C#CC[C@H](C)N1CC[C@H]([NH2+]C)[C@H](C)C1 252932130 344919855 /nfs/dbraw/zinc/91/98/55/344919855.db2.gz BVEYULQGMDQTNL-WOPDTQHZSA-N 1 1 194.322 1.328 10 30 ADEEMO C#C[C@H](C)[NH2+][C@H]1CCC[C@H]1C#N 253151109 344928258 /nfs/dbraw/zinc/92/82/58/344928258.db2.gz GSDCWWVQVMNLOF-GUBZILKMSA-N 1 1 162.236 1.290 10 30 ADEEMO C#C[C@H](C)[NH2+][C@@H]1CCC[C@H]1C#N 253151110 344928333 /nfs/dbraw/zinc/92/83/33/344928333.db2.gz GSDCWWVQVMNLOF-LPEHRKFASA-N 1 1 162.236 1.290 10 30 ADEEMO C[C@H](C#N)CN[C@H]1CC[N@@H+](C)C[C@H]1C 253264068 344932221 /nfs/dbraw/zinc/93/22/21/344932221.db2.gz JBUXCEMMXWTDIL-MXWKQRLJSA-N 1 1 195.310 1.076 10 30 ADEEMO CC[C@H]1C[N@@H+](CC2CC2)CCC1=NO 253282844 344932977 /nfs/dbraw/zinc/93/29/77/344932977.db2.gz LNODIORQUDQOOL-JTQLQIEISA-N 1 1 196.294 1.959 10 30 ADEEMO C[C@@H]1SCC[N@@H+](C[C@H]2CO2)[C@@H]1C 253071603 344926218 /nfs/dbraw/zinc/92/62/18/344926218.db2.gz NIQMRXBUSOOOCA-VGMNWLOBSA-N 1 1 187.308 1.211 10 30 ADEEMO C[C@H]1C[C@@H](C)C[N@H+](C[C@H]2CO2)[C@H]1C 253114161 344926990 /nfs/dbraw/zinc/92/69/90/344926990.db2.gz ZKQUTWLWTUJPJM-RCWTZXSCSA-N 1 1 183.295 1.752 10 30 ADEEMO C=C(C[NH3+])C[N@@H+]1CC[C@@H](C)[C@H](C)C1 299964700 344961541 /nfs/dbraw/zinc/96/15/41/344961541.db2.gz GNRCUQUSZJKRSX-GHMZBOCLSA-N 1 1 182.311 1.479 10 30 ADEEMO C=C(CN)C[N@H+]1CC[C@@H](C)[C@H](C)C1 299964700 344961542 /nfs/dbraw/zinc/96/15/42/344961542.db2.gz GNRCUQUSZJKRSX-GHMZBOCLSA-N 1 1 182.311 1.479 10 30 ADEEMO C=C(CN)C[N@@H+]1CC[C@@H](C)[C@H](C)C1 299964700 344961543 /nfs/dbraw/zinc/96/15/43/344961543.db2.gz GNRCUQUSZJKRSX-GHMZBOCLSA-N 1 1 182.311 1.479 10 30 ADEEMO C=C(C[NH3+])C[N@@H+]1CCC[C@@H](C)[C@H]1C 299965673 344961605 /nfs/dbraw/zinc/96/16/05/344961605.db2.gz MDDATKHSLZQUKC-GHMZBOCLSA-N 1 1 182.311 1.622 10 30 ADEEMO C=C(CN)C[N@H+]1CCC[C@@H](C)[C@H]1C 299965673 344961606 /nfs/dbraw/zinc/96/16/06/344961606.db2.gz MDDATKHSLZQUKC-GHMZBOCLSA-N 1 1 182.311 1.622 10 30 ADEEMO C=C(CN)C[N@@H+]1CCC[C@@H](C)[C@H]1C 299965673 344961608 /nfs/dbraw/zinc/96/16/08/344961608.db2.gz MDDATKHSLZQUKC-GHMZBOCLSA-N 1 1 182.311 1.622 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCC[C@](C)(O)CC1 300238193 344972830 /nfs/dbraw/zinc/97/28/30/344972830.db2.gz KYQFAADYBNSCHG-MNOVXSKESA-N 1 1 183.295 1.798 10 30 ADEEMO CC(C)(C)C#CC[NH2+]C1COC1 300718571 344983470 /nfs/dbraw/zinc/98/34/70/344983470.db2.gz ALRHMZGUFMKQQW-UHFFFAOYSA-N 1 1 167.252 1.024 10 30 ADEEMO CO[C@@]1(C)CCC[N@@H+](C[C@H](C)C#N)C1 300237856 344972797 /nfs/dbraw/zinc/97/27/97/344972797.db2.gz DUXDXATYUGWQKH-MNOVXSKESA-N 1 1 196.294 1.647 10 30 ADEEMO C[C@@H](C#N)C[N@H+]1CCC[C@](C)(O)CC1 300238578 344972809 /nfs/dbraw/zinc/97/28/09/344972809.db2.gz PFTACWFXTZNSES-QWRGUYRKSA-N 1 1 196.294 1.383 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](C)C1 300940339 345016249 /nfs/dbraw/zinc/01/62/49/345016249.db2.gz DJQPBFHPSBYPFO-NXEZZACHSA-N 1 1 197.278 1.446 10 30 ADEEMO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@H](C)C1 300940341 345016353 /nfs/dbraw/zinc/01/63/53/345016353.db2.gz DJQPBFHPSBYPFO-UWVGGRQHSA-N 1 1 197.278 1.446 10 30 ADEEMO C1CC[C@@H]2CC[N@H+](C[C@H]3CO3)[C@H]2C1 301044343 345032830 /nfs/dbraw/zinc/03/28/30/345032830.db2.gz MJNFJSGETBCRKQ-VWYCJHECSA-N 1 1 181.279 1.650 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCC(F)(F)[C@H](O)C1 306155850 345046884 /nfs/dbraw/zinc/04/68/84/345046884.db2.gz KGHPUAHGWXLESA-JGVFFNPUSA-N 1 1 191.221 1.263 10 30 ADEEMO C=C[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](OC)C1 306168562 345060009 /nfs/dbraw/zinc/06/00/09/345060009.db2.gz WEINDVPZMIQLHU-DCAQKATOSA-N 1 1 183.295 1.918 10 30 ADEEMO C[C@H]1C[C@@H](C)[N@H+]1CC1(C#N)CC1 306172726 345063808 /nfs/dbraw/zinc/06/38/08/345063808.db2.gz SZXMSCFDAOZECB-DTORHVGOSA-N 1 1 164.252 1.773 10 30 ADEEMO C=CC[N@@H+]1CCN[C@@H]2CCCC[C@@H]21 306192800 345082928 /nfs/dbraw/zinc/08/29/28/345082928.db2.gz SLDPPYHPHXYQAY-MNOVXSKESA-N 1 1 180.295 1.389 10 30 ADEEMO C=CC[N@H+]1CCN[C@@H]2CCCC[C@@H]21 306192800 345082929 /nfs/dbraw/zinc/08/29/29/345082929.db2.gz SLDPPYHPHXYQAY-MNOVXSKESA-N 1 1 180.295 1.389 10 30 ADEEMO C=CC[N@@H+]1CCN[C@H]2CCCC[C@@H]21 306192804 345082956 /nfs/dbraw/zinc/08/29/56/345082956.db2.gz SLDPPYHPHXYQAY-QWRGUYRKSA-N 1 1 180.295 1.389 10 30 ADEEMO C=CC[N@H+]1CCN[C@H]2CCCC[C@@H]21 306192804 345082957 /nfs/dbraw/zinc/08/29/57/345082957.db2.gz SLDPPYHPHXYQAY-QWRGUYRKSA-N 1 1 180.295 1.389 10 30 ADEEMO C=C(C)[C@H](CO)[N@H+]1CCC[C@H](C)C1 306271339 345159876 /nfs/dbraw/zinc/15/98/76/345159876.db2.gz VONRKVLEJCPWQW-QWRGUYRKSA-N 1 1 183.295 1.655 10 30 ADEEMO C=CCSc1cc(N)cc[nH+]1 306249352 345141086 /nfs/dbraw/zinc/14/10/86/345141086.db2.gz NYVHVLGYDRXZGI-UHFFFAOYSA-N 1 1 166.249 1.942 10 30 ADEEMO CO[C@@]1(C)CC[N@@H+](CCS)C1 306339822 345214807 /nfs/dbraw/zinc/21/48/07/345214807.db2.gz ZZCNZDQIPVLEKJ-QMMMGPOBSA-N 1 1 175.297 1.027 10 30 ADEEMO CC[C@@H](C#N)[C@@H](C)[NH+]1CCSCC1 306432898 345292299 /nfs/dbraw/zinc/29/22/99/345292299.db2.gz VCHLBZMKTFAXMP-ZJUUUORDSA-N 1 1 198.335 1.973 10 30 ADEEMO C[C@@H]1CCCC[N@H+]1CC[C@@H]1CO1 306434079 345293943 /nfs/dbraw/zinc/29/39/43/345293943.db2.gz YXFKYQBKXZZOKL-NXEZZACHSA-N 1 1 169.268 1.650 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCCOCC1 306426116 345283549 /nfs/dbraw/zinc/28/35/49/345283549.db2.gz JYIDCMDTUYUMNO-VIFPVBQESA-N 1 1 155.241 1.283 10 30 ADEEMO C=C[C@H](C)[N@@H+]1C[C@@H]2CN(C)C[C@@H]2C1 306465261 345326303 /nfs/dbraw/zinc/32/63/03/345326303.db2.gz BBDKFTGFZAVMMD-GARJFASQSA-N 1 1 180.295 1.054 10 30 ADEEMO C=C[C@H](C)[N@H+]1C[C@@H]2CN(C)C[C@@H]2C1 306465261 345326304 /nfs/dbraw/zinc/32/63/04/345326304.db2.gz BBDKFTGFZAVMMD-GARJFASQSA-N 1 1 180.295 1.054 10 30 ADEEMO CC#CC[NH2+]Cc1cnn(C)c1Cl 306473621 345337319 /nfs/dbraw/zinc/33/73/19/345337319.db2.gz VAZLVHVLBSBKHX-UHFFFAOYSA-N 1 1 197.669 1.186 10 30 ADEEMO C#CC[N@H+](C)Cc1ccc(F)cc1N 306520130 345391460 /nfs/dbraw/zinc/39/14/60/345391460.db2.gz JVZUPPRPNPEMRG-UHFFFAOYSA-N 1 1 192.237 1.473 10 30 ADEEMO C[C@H]1C[C@@H](C)C[N@@H+]1CC[C@@H]1CO1 306529023 345400415 /nfs/dbraw/zinc/40/04/15/345400415.db2.gz HOEXXSOPEIGHGR-KXUCPTDWSA-N 1 1 169.268 1.506 10 30 ADEEMO C[C@@H]1CC[N@@H+](CCC=O)CCS1 306553947 345429711 /nfs/dbraw/zinc/42/97/11/345429711.db2.gz LBIHGFOFCLTGOH-SECBINFHSA-N 1 1 187.308 1.403 10 30 ADEEMO O=CC[N@H+]1CCC2(CCCC2)C1 306562089 345437723 /nfs/dbraw/zinc/43/77/23/345437723.db2.gz UDNGCMUTMRZYGR-UHFFFAOYSA-N 1 1 167.252 1.451 10 30 ADEEMO CC(C)[C@H](C#N)C[N@H+]1C[C@H](C)[C@H](O)C1 306580602 345457883 /nfs/dbraw/zinc/45/78/83/345457883.db2.gz OOUVPSHMDPBUNE-HBNTYKKESA-N 1 1 196.294 1.095 10 30 ADEEMO CC(C)[C@H](C#N)C[N@H+]1C[C@@H](O)C[C@@H]1C 306581338 345458443 /nfs/dbraw/zinc/45/84/43/345458443.db2.gz PMFIXDAADNFIKD-AXFHLTTASA-N 1 1 196.294 1.237 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CC[NH2+]C[C@H](C)C1 306643687 345512301 /nfs/dbraw/zinc/51/23/01/345512301.db2.gz XLRTUKSKOTWCJJ-VHSXEESVSA-N 1 1 168.284 1.102 10 30 ADEEMO CCC#C[C@H](C)[N@H+]1CC[C@@H](OC)C1 306674403 345536071 /nfs/dbraw/zinc/53/60/71/345536071.db2.gz QEWYHYRDBOFHGA-WDEREUQCSA-N 1 1 181.279 1.509 10 30 ADEEMO C[C@@H]1C[N@@H+]([C@H](C)CC#N)[C@@H]1C 306731745 345580449 /nfs/dbraw/zinc/58/04/49/345580449.db2.gz QZVYFJIUHZGBQB-IWSPIJDZSA-N 1 1 152.241 1.629 10 30 ADEEMO C[C@@H]1C[N@H+]([C@H](C)CC#N)[C@@H]1C 306731745 345580450 /nfs/dbraw/zinc/58/04/50/345580450.db2.gz QZVYFJIUHZGBQB-IWSPIJDZSA-N 1 1 152.241 1.629 10 30 ADEEMO CCC[C@]([NH3+])(C#N)C1CCC1 306747327 345589067 /nfs/dbraw/zinc/58/90/67/345589067.db2.gz GAGJFZGOHFNFFV-VIFPVBQESA-N 1 1 152.241 1.808 10 30 ADEEMO C#CCC[N@H+]1CCOCC2(CC2)C1 307020560 345758085 /nfs/dbraw/zinc/75/80/85/345758085.db2.gz TYFMMNHPDYUHBD-UHFFFAOYSA-N 1 1 179.263 1.122 10 30 ADEEMO C[C@@H]1C[N@@H+](CC=O)C(C)(C)C1 307033362 345767897 /nfs/dbraw/zinc/76/78/97/345767897.db2.gz SNJMLFADOPNLRY-QMMMGPOBSA-N 1 1 155.241 1.306 10 30 ADEEMO C=C(C)CCN1CC[C@H]2C[NH2+]C[C@@H]2C1 307034969 345768431 /nfs/dbraw/zinc/76/84/31/345768431.db2.gz WGUJMYSBYNZEEJ-NWDGAFQWSA-N 1 1 194.322 1.494 10 30 ADEEMO C[C@H](CC#N)[N@H+]1CC[C@@H](O)C1(C)C 307083935 345800581 /nfs/dbraw/zinc/80/05/81/345800581.db2.gz KZPSXGCDRKKFSC-RKDXNWHRSA-N 1 1 182.267 1.134 10 30 ADEEMO N#CCC[N@@H+]1CCCC[C@@H]1C1(O)CC1 335634304 204021423 /nfs/dbraw/zinc/02/14/23/204021423.db2.gz NXTHXHYUJRGPES-SNVBAGLBSA-N 1 1 194.278 1.279 10 30 ADEEMO CC[C@@H]1[C@H](C)CC[N@H+]1CC=O 307194973 345880702 /nfs/dbraw/zinc/88/07/02/345880702.db2.gz KTDDMOIUCWHIFU-RKDXNWHRSA-N 1 1 155.241 1.306 10 30 ADEEMO CC(C)(C=O)[N@H+]1CC[C@H]2CCC[C@H]21 307231127 345908397 /nfs/dbraw/zinc/90/83/97/345908397.db2.gz CBNDEURLTILSEO-NXEZZACHSA-N 1 1 181.279 1.838 10 30 ADEEMO C#CCC[N@@H+]1CCC[C@@H]1CF 307244122 345917732 /nfs/dbraw/zinc/91/77/32/345917732.db2.gz KXKIXJJRJLIYSK-SECBINFHSA-N 1 1 155.216 1.444 10 30 ADEEMO CC(C)N[C@]1(C#N)CC[N@@H+](C)C[C@@H]1C 307255532 345927473 /nfs/dbraw/zinc/92/74/73/345927473.db2.gz ZNZDZMBVQFWGPH-QWRGUYRKSA-N 1 1 195.310 1.218 10 30 ADEEMO FC(F)(F)[C@@H]1CC[N@@H+](C[C@@H]2CO2)C1 307265317 345934307 /nfs/dbraw/zinc/93/43/07/345934307.db2.gz DPRRHIJTYSUCNB-RNFRBKRXSA-N 1 1 195.184 1.269 10 30 ADEEMO C[C@@H]1CCSCC[N@H+]1CC=O 307277831 345943053 /nfs/dbraw/zinc/94/30/53/345943053.db2.gz SMIATPBJKHNTGV-MRVPVSSYSA-N 1 1 173.281 1.013 10 30 ADEEMO C=C[C@@H]([NH2+]C)c1coc(C)n1 307309737 345962366 /nfs/dbraw/zinc/96/23/66/345962366.db2.gz XTIAFEYPEIKWDV-SSDOTTSWSA-N 1 1 152.197 1.430 10 30 ADEEMO C=C[C@H]([NH2+]C)c1coc(C)n1 307309745 345962416 /nfs/dbraw/zinc/96/24/16/345962416.db2.gz XTIAFEYPEIKWDV-ZETCQYMHSA-N 1 1 152.197 1.430 10 30 ADEEMO C#CCCC[N@H+]1CC[C@@H](N)C(C)(C)C1 307483994 346067824 /nfs/dbraw/zinc/06/78/24/346067824.db2.gz TUEZFNUZKFAJPG-LLVKDONJSA-N 1 1 194.322 1.459 10 30 ADEEMO C=C[C@H](C)N1CC[C@@]2(CC[NH2+]C2)C1 307488645 346070554 /nfs/dbraw/zinc/07/05/54/346070554.db2.gz ONUOSOUWPCQFDC-WDEREUQCSA-N 1 1 180.295 1.246 10 30 ADEEMO C=C[C@@H](C)N1CC[C@]2(CC[NH2+]C2)C1 307488638 346070586 /nfs/dbraw/zinc/07/05/86/346070586.db2.gz ONUOSOUWPCQFDC-MNOVXSKESA-N 1 1 180.295 1.246 10 30 ADEEMO C=CC[NH2+][C@H]1CCCC1(F)F 307580963 346126684 /nfs/dbraw/zinc/12/66/84/346126684.db2.gz ZKXJAAWCYVQAFN-ZETCQYMHSA-N 1 1 161.195 1.950 10 30 ADEEMO C[N@H+]1CCCC12CCN(CC#N)CC2 334183679 207356857 /nfs/dbraw/zinc/35/68/57/207356857.db2.gz ASORJIHWIQYNQA-UHFFFAOYSA-N 1 1 193.294 1.070 10 30 ADEEMO CC#CC[N@H+]1CCCC[C@H]1C1(O)CC1 335154287 207357127 /nfs/dbraw/zinc/35/71/27/207357127.db2.gz MGEUITPSGIMWHI-NSHDSACASA-N 1 1 193.290 1.389 10 30 ADEEMO CC#CC[N@H+]1CCCC[C@@H]1C1(O)CC1 335154286 207357140 /nfs/dbraw/zinc/35/71/40/207357140.db2.gz MGEUITPSGIMWHI-LLVKDONJSA-N 1 1 193.290 1.389 10 30 ADEEMO C=C(C)C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 307677774 346177688 /nfs/dbraw/zinc/17/76/88/346177688.db2.gz JIZXLACWCLPWMF-WDEREUQCSA-N 1 1 180.295 1.104 10 30 ADEEMO CC#CC[NH2+]Cc1cnc(C)o1 307717207 346200219 /nfs/dbraw/zinc/20/02/19/346200219.db2.gz MIMJRMFJTXHYNT-UHFFFAOYSA-N 1 1 164.208 1.096 10 30 ADEEMO CC#CCN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 334460671 346349065 /nfs/dbraw/zinc/34/90/65/346349065.db2.gz UXEKJTQGKFADEM-NWDGAFQWSA-N 1 1 194.322 1.424 10 30 ADEEMO C=CCC[N@@H+]1CCC[C@@H](OC)C1 379325036 346497037 /nfs/dbraw/zinc/49/70/37/346497037.db2.gz AOCMNGQXRRIOSL-SNVBAGLBSA-N 1 1 169.268 1.673 10 30 ADEEMO C=CC[N@@H+]1CCC[C@]1(C)C(=O)OC 381927413 346531892 /nfs/dbraw/zinc/53/18/92/346531892.db2.gz OLIUAEQSANNEDQ-SNVBAGLBSA-N 1 1 183.251 1.200 10 30 ADEEMO C[C@H](CC#N)[N@@H+](C)C[C@@H](O)C(C)(C)C 388708628 346564562 /nfs/dbraw/zinc/56/45/62/346564562.db2.gz QMHMEIQUAVGSDA-NXEZZACHSA-N 1 1 198.310 1.627 10 30 ADEEMO C[C@@H](C#N)C[N@H+](CCCF)C1CC1 388825514 346567760 /nfs/dbraw/zinc/56/77/60/346567760.db2.gz VGDPFCUWHITQOT-VIFPVBQESA-N 1 1 184.258 1.970 10 30 ADEEMO CC[C@H]1CC[N@H+]1CCOCCC#N 393540070 346578197 /nfs/dbraw/zinc/57/81/97/346578197.db2.gz DAVFMPNIQPVLOM-JTQLQIEISA-N 1 1 182.267 1.401 10 30 ADEEMO C=CCC[C@H](C)[NH2+]Cc1c[nH]nn1 398387341 346596530 /nfs/dbraw/zinc/59/65/30/346596530.db2.gz XEIBGSDAUZWSNG-QMMMGPOBSA-N 1 1 180.255 1.249 10 30 ADEEMO C=CCC[C@H](C)[NH2+]Cc1cn[nH]n1 398387341 346596532 /nfs/dbraw/zinc/59/65/32/346596532.db2.gz XEIBGSDAUZWSNG-QMMMGPOBSA-N 1 1 180.255 1.249 10 30 ADEEMO CS[C@@H]1CCC[C@]([NH3+])(C#N)C1 403315350 346634808 /nfs/dbraw/zinc/63/48/08/346634808.db2.gz DCVXRBAGCOUQGI-HTQZYQBOSA-N 1 1 170.281 1.513 10 30 ADEEMO COC[C@@H]1CCC[C@@]([NH3+])(C#N)C1 403851987 346638922 /nfs/dbraw/zinc/63/89/22/346638922.db2.gz BCEXONVNLZWGSQ-BDAKNGLRSA-N 1 1 168.240 1.044 10 30 ADEEMO COC[C@@H]1CCC[C@]([NH3+])(C#N)C1 403851992 346639009 /nfs/dbraw/zinc/63/90/09/346639009.db2.gz BCEXONVNLZWGSQ-RKDXNWHRSA-N 1 1 168.240 1.044 10 30 ADEEMO CC[C@@H]1C[N@@H+](CCCC#N)[C@@H](C)CO1 403905933 346639556 /nfs/dbraw/zinc/63/95/56/346639556.db2.gz AYLXLJPMEMXCQG-WDEREUQCSA-N 1 1 196.294 1.789 10 30 ADEEMO CCO[C@H]1CCC[C@]([NH3+])(C#N)C1 403915137 346639560 /nfs/dbraw/zinc/63/95/60/346639560.db2.gz YFOYIUBTZUKOEB-DTWKUNHWSA-N 1 1 168.240 1.187 10 30 ADEEMO CCO[C@@H]1CCC[C@]([NH3+])(C#N)C1 403915140 346639565 /nfs/dbraw/zinc/63/95/65/346639565.db2.gz YFOYIUBTZUKOEB-RKDXNWHRSA-N 1 1 168.240 1.187 10 30 ADEEMO CC[C@H]1C[N@@H+](CCCC#N)[C@@H](C)CO1 403905932 346639571 /nfs/dbraw/zinc/63/95/71/346639571.db2.gz AYLXLJPMEMXCQG-QWRGUYRKSA-N 1 1 196.294 1.789 10 30 ADEEMO ClC1=CCC[N@H+](C[C@@H]2CO2)C1 404398812 346641819 /nfs/dbraw/zinc/64/18/19/346641819.db2.gz YLSBOFWDSWZFKB-MRVPVSSYSA-N 1 1 173.643 1.214 10 30 ADEEMO ClC1=CCC[N@@H+](C[C@@H]2CO2)C1 404398812 346641820 /nfs/dbraw/zinc/64/18/20/346641820.db2.gz YLSBOFWDSWZFKB-MRVPVSSYSA-N 1 1 173.643 1.214 10 30 ADEEMO COC[C@@H](C)C[N@@H+](C)CC(C)(C)C#N 405089954 346657011 /nfs/dbraw/zinc/65/70/11/346657011.db2.gz PJPKAWXPOSSSJM-JTQLQIEISA-N 1 1 198.310 1.750 10 30 ADEEMO CCOCC[N@@H+](C)[C@@H]1CC[C@@H](C#N)C1 590170180 346778053 /nfs/dbraw/zinc/77/80/53/346778053.db2.gz DYPJIRKDDRAOBU-GHMZBOCLSA-N 1 1 196.294 1.647 10 30 ADEEMO CC#CC[N@H+](C)CCCC(=O)OCC 590209317 346779462 /nfs/dbraw/zinc/77/94/62/346779462.db2.gz FXFVUBRTYHXTOT-UHFFFAOYSA-N 1 1 197.278 1.285 10 30 ADEEMO CC(C)[N@@H+](CCCC#N)C1COC1 590745591 346793369 /nfs/dbraw/zinc/79/33/69/346793369.db2.gz GZMJJCLZNUFEBQ-UHFFFAOYSA-N 1 1 182.267 1.399 10 30 ADEEMO C[C@@]1(C#N)CC[N@@H+](CCCCC#N)C1 595839259 346868228 /nfs/dbraw/zinc/86/82/28/346868228.db2.gz HIFHUMXIPWGWQX-NSHDSACASA-N 1 1 191.278 1.916 10 30 ADEEMO C[C@@]1(C#N)CC[N@@H+](CC2CC2)C1 595838823 346868544 /nfs/dbraw/zinc/86/85/44/346868544.db2.gz XXQXELGJPDUHNF-JTQLQIEISA-N 1 1 164.252 1.632 10 30 ADEEMO CC[C@@H](C[N@H+]1CC[C@@](C)(C#N)C1)OC 595842258 346869144 /nfs/dbraw/zinc/86/91/44/346869144.db2.gz QMLYMVGXRXIOSH-QWRGUYRKSA-N 1 1 196.294 1.647 10 30 ADEEMO C[C@@H]1C[C@H]1C[N@H+]1CC[C@](C)(C#N)C1 597231356 346885354 /nfs/dbraw/zinc/88/53/54/346885354.db2.gz LSVMOEYVUBKZAO-OUAUKWLOSA-N 1 1 178.279 1.878 10 30 ADEEMO COC[C@H](C)C[N@H+]1CC[C@](C)(C#N)C1 597231425 346885367 /nfs/dbraw/zinc/88/53/67/346885367.db2.gz NQZWMELNGCCNPL-GHMZBOCLSA-N 1 1 196.294 1.504 10 30 ADEEMO COC[C@@H](C)C[N@H+]1CC[C@](C)(C#N)C1 597231428 346885370 /nfs/dbraw/zinc/88/53/70/346885370.db2.gz NQZWMELNGCCNPL-WDEREUQCSA-N 1 1 196.294 1.504 10 30 ADEEMO COC[C@H](C)C[N@H+]1CC[C@@](C)(C#N)C1 597231426 346885387 /nfs/dbraw/zinc/88/53/87/346885387.db2.gz NQZWMELNGCCNPL-MNOVXSKESA-N 1 1 196.294 1.504 10 30 ADEEMO C=CC[N@H+](C)C[C@@H](O)CC1(C#N)CC1 599381754 346904019 /nfs/dbraw/zinc/90/40/19/346904019.db2.gz OZJMCDFEWOLEST-JTQLQIEISA-N 1 1 194.278 1.159 10 30 ADEEMO C=CC[C@H]1CC[N@H+](CCC(=O)OC)C1 599526244 346904112 /nfs/dbraw/zinc/90/41/12/346904112.db2.gz IOAMOZYKOOGWAY-JTQLQIEISA-N 1 1 197.278 1.448 10 30 ADEEMO C=CC[N@@H+](C)CCn1cccn1 600700111 346916071 /nfs/dbraw/zinc/91/60/71/346916071.db2.gz HLDMKMYKQFANPL-UHFFFAOYSA-N 1 1 165.240 1.001 10 30 ADEEMO C=C(C)C[N@H+](C)Cc1cnn(CC)c1 603713866 346957664 /nfs/dbraw/zinc/95/76/64/346957664.db2.gz CMSPKGBFCOYXDY-UHFFFAOYSA-N 1 1 193.294 1.911 10 30 ADEEMO C[N@@H+](CCCF)[C@@H]1CCC[C@@H]1C#N 602978057 346949114 /nfs/dbraw/zinc/94/91/14/346949114.db2.gz KZMTZAPFZNCKGZ-NXEZZACHSA-N 1 1 184.258 1.970 10 30 ADEEMO C[N@@H+](CCCF)[C@@H]1CCC[C@H]1C#N 602978059 346949118 /nfs/dbraw/zinc/94/91/18/346949118.db2.gz KZMTZAPFZNCKGZ-VHSXEESVSA-N 1 1 184.258 1.970 10 30 ADEEMO C=CC[N@@H+](C)[C@H]1CCC[C@@H]1C#N 602975077 346949131 /nfs/dbraw/zinc/94/91/31/346949131.db2.gz YGJDWAVGIZBKPT-ZJUUUORDSA-N 1 1 164.252 1.796 10 30 ADEEMO C=CC[N@H+](C)[C@H]1CCC[C@@H]1C#N 602975077 346949132 /nfs/dbraw/zinc/94/91/32/346949132.db2.gz YGJDWAVGIZBKPT-ZJUUUORDSA-N 1 1 164.252 1.796 10 30 ADEEMO C=CCCC[N@@H+]1CCC[C@H](N(C)C)C1 605150786 346969288 /nfs/dbraw/zinc/96/92/88/346969288.db2.gz CTLJAGVCGGCZGA-LBPRGKRZSA-N 1 1 196.338 1.979 10 30 ADEEMO C=CCCCN1CCC[C@H]([NH+](C)C)C1 605150786 346969289 /nfs/dbraw/zinc/96/92/89/346969289.db2.gz CTLJAGVCGGCZGA-LBPRGKRZSA-N 1 1 196.338 1.979 10 30 ADEEMO C=CCCC[N@H+]1CC[C@@H](CN(C)C)C1 605150915 346969329 /nfs/dbraw/zinc/96/93/29/346969329.db2.gz BWEZVDUGWVGDCS-LBPRGKRZSA-N 1 1 196.338 1.836 10 30 ADEEMO C=CCCC[N@@H+]1CC[C@@H](CN(C)C)C1 605150915 346969330 /nfs/dbraw/zinc/96/93/30/346969330.db2.gz BWEZVDUGWVGDCS-LBPRGKRZSA-N 1 1 196.338 1.836 10 30 ADEEMO C=CCCC[N@H+](CC)CC(=O)N(C)C 605186699 346969956 /nfs/dbraw/zinc/96/99/56/346969956.db2.gz FUYHEJNSRJZLJE-UHFFFAOYSA-N 1 1 198.310 1.363 10 30 ADEEMO C=CCC[N@@H+]1C[C@@H](C(N)=O)CC[C@@H]1C 606897829 346985592 /nfs/dbraw/zinc/98/55/92/346985592.db2.gz FYPLTLNGNDHDJJ-UWVGGRQHSA-N 1 1 196.294 1.148 10 30 ADEEMO C=CCC[N@H+](CC)Cc1cnn(C)c1 606897290 346985679 /nfs/dbraw/zinc/98/56/79/346985679.db2.gz GVSHFXQYXICIGS-UHFFFAOYSA-N 1 1 193.294 1.818 10 30 ADEEMO C=CCCC[N@H+](C)CC(=O)NCCC 605149660 346967522 /nfs/dbraw/zinc/96/75/22/346967522.db2.gz MKVGRNKZNIDJRP-UHFFFAOYSA-N 1 1 198.310 1.411 10 30 ADEEMO CC#CC[N@@H+](C[C@@H](C)O)C(C)C 607730990 346993435 /nfs/dbraw/zinc/99/34/35/346993435.db2.gz KRXUVWGLBSEJOC-SNVBAGLBSA-N 1 1 169.268 1.101 10 30 ADEEMO CC#CC[N@@H+](C[C@H](C)O)C(C)C 607730989 346993446 /nfs/dbraw/zinc/99/34/46/346993446.db2.gz KRXUVWGLBSEJOC-JTQLQIEISA-N 1 1 169.268 1.101 10 30 ADEEMO CC#CC[N@H+](CC)C[C@@H]1CCOC1 607732386 346994297 /nfs/dbraw/zinc/99/42/97/346994297.db2.gz BUEVRLQHWUBURE-NSHDSACASA-N 1 1 181.279 1.368 10 30 ADEEMO CO[C@H](C)C[N@H+](C[C@H](C)C#N)C1CC1 611792849 347042470 /nfs/dbraw/zinc/04/24/70/347042470.db2.gz PZRWMJKDERRPLZ-NXEZZACHSA-N 1 1 196.294 1.645 10 30 ADEEMO CO[C@@H]1CCC[N@@H+](CCCC#N)CC1 611943360 347044320 /nfs/dbraw/zinc/04/43/20/347044320.db2.gz DWOIVCYECGEOQY-LLVKDONJSA-N 1 1 196.294 1.791 10 30 ADEEMO C[C@@H](CO)C[N@H+]1CCC[C@@](C)(C#N)C1 612164922 347046129 /nfs/dbraw/zinc/04/61/29/347046129.db2.gz JBDZOXZBUFFQGH-MNOVXSKESA-N 1 1 196.294 1.240 10 30 ADEEMO C=CC[C@H]1CC[N@H+](C[C@@H](O)C(C)C)C1 625700595 347289133 /nfs/dbraw/zinc/28/91/33/347289133.db2.gz CQMFXWJDTPZAON-NWDGAFQWSA-N 1 1 197.322 1.901 10 30 ADEEMO C=CCC[N@H+]1CCO[C@@H](CCF)C1 626003045 347296017 /nfs/dbraw/zinc/29/60/17/347296017.db2.gz ZCWKYYSPFWNKNS-JTQLQIEISA-N 1 1 187.258 1.623 10 30 ADEEMO C=C(CC)C[N@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 626140284 347300046 /nfs/dbraw/zinc/30/00/46/347300046.db2.gz VWTOEEUMFJWENY-QJPTWQEYSA-N 1 1 195.306 1.798 10 30 ADEEMO C=CCC[N@H+](C)Cc1cnc(C)o1 628247020 347312852 /nfs/dbraw/zinc/31/28/52/347312852.db2.gz LTIXGMSIQOIOOQ-UHFFFAOYSA-N 1 1 180.251 1.991 10 30 ADEEMO C=CC[C@H]1CC[N@@H+](C[C@@H](C)N)C1 629551898 347349066 /nfs/dbraw/zinc/34/90/66/347349066.db2.gz YKURKXZJPBAIDE-ZJUUUORDSA-N 1 1 168.284 1.232 10 30 ADEEMO C=CC[C@@H](CO)[NH2+]Cc1ncc(C)o1 639044538 347500147 /nfs/dbraw/zinc/50/01/47/347500147.db2.gz AYRDGNBLHUCIAT-VIFPVBQESA-N 1 1 196.250 1.010 10 30 ADEEMO C=C(CC)C[N@H+]1C[C@@H]2C[C@]2(O)C1 640479785 347553243 /nfs/dbraw/zinc/55/32/43/347553243.db2.gz FQNUXDFBZPRBLO-UWVGGRQHSA-N 1 1 167.252 1.019 10 30 ADEEMO C=CC[N@H+]1CCN(C)[C@@H](C(C)(C)C)C1 639750562 347534800 /nfs/dbraw/zinc/53/48/00/347534800.db2.gz WTSRHJAFPZQLHM-LLVKDONJSA-N 1 1 196.338 1.835 10 30 ADEEMO N#CCC[NH2+][C@@H]1CC[C@H](C#N)C1 306565651 351946467 /nfs/dbraw/zinc/94/64/67/351946467.db2.gz FQCRGZGXLDMGHS-DTWKUNHWSA-N 1 1 163.224 1.182 10 30 ADEEMO C=CCCN1CC[C@@H]2[NH2+]CC[C@H]2C1 306565015 351946475 /nfs/dbraw/zinc/94/64/75/351946475.db2.gz XPJBXSGGLSXFDT-QWRGUYRKSA-N 1 1 180.295 1.246 10 30 ADEEMO CC#CCC[N@@H+]1C[C@@H](O)C[C@@H](C)C1 306687523 351955608 /nfs/dbraw/zinc/95/56/08/351955608.db2.gz LOEZEAAQGJLUFA-MNOVXSKESA-N 1 1 181.279 1.103 10 30 ADEEMO C=C(C)C[N@H+]1CC[C@@H](C)[C@@H](OC)C1 334148873 352056656 /nfs/dbraw/zinc/05/66/56/352056656.db2.gz ZNDOJTPTMFDJLU-MNOVXSKESA-N 1 1 183.295 1.919 10 30 ADEEMO C=CCN1CCC[C@@]2(CC[NH2+]C2)C1 334994030 352087182 /nfs/dbraw/zinc/08/71/82/352087182.db2.gz SBWJSDQBYQKIAN-NSHDSACASA-N 1 1 180.295 1.248 10 30 ADEEMO CC#CCC[N@H+]1CCOCC1(C)C 335569020 352103423 /nfs/dbraw/zinc/10/34/23/352103423.db2.gz HTVAQMJZXFBKOO-UHFFFAOYSA-N 1 1 181.279 1.511 10 30 ADEEMO CC#CC[N@@H+]1CCO[C@H](C2CCC2)C1 335662543 352108479 /nfs/dbraw/zinc/10/84/79/352108479.db2.gz GEYJEUOQEJZIRX-LBPRGKRZSA-N 1 1 193.290 1.511 10 30 ADEEMO C=C(C)C[N@H+]1CCO[C@]2(CCOC2)C1 335760090 352111762 /nfs/dbraw/zinc/11/17/62/352111762.db2.gz RNJKKQPTPJZIMZ-LLVKDONJSA-N 1 1 197.278 1.054 10 30 ADEEMO N#CCC[N@@H+]1CCCC[C@H]1C1(O)CC1 335634303 229147744 /nfs/dbraw/zinc/14/77/44/229147744.db2.gz NXTHXHYUJRGPES-JTQLQIEISA-N 1 1 194.278 1.279 10 30 ADEEMO N#CCC[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 336552549 352145742 /nfs/dbraw/zinc/14/57/42/352145742.db2.gz HIBGPLNJFZFKPJ-WDEREUQCSA-N 1 1 194.278 1.258 10 30 ADEEMO N#CCC[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 336552546 352145747 /nfs/dbraw/zinc/14/57/47/352145747.db2.gz HIBGPLNJFZFKPJ-GHMZBOCLSA-N 1 1 194.278 1.258 10 30 ADEEMO SCC[N@H+]1CCC[C@H]2COC[C@H]21 575458438 352236811 /nfs/dbraw/zinc/23/68/11/352236811.db2.gz SXOAQDGAPUMZER-DTWKUNHWSA-N 1 1 187.308 1.027 10 30 ADEEMO C=C1CN(C[C@@H]2CC[NH2+][C@@H](C)C2)C1 575503331 352422336 /nfs/dbraw/zinc/42/23/36/352422336.db2.gz LPIYVIRSZUAWTI-WDEREUQCSA-N 1 1 180.295 1.246 10 30 ADEEMO Cc1[nH+]cn([C@H](C)C=O)c1C 575510508 352460428 /nfs/dbraw/zinc/46/04/28/352460428.db2.gz DSJBLLOXYIXQDW-ZCFIWIBFSA-N 1 1 152.197 1.260 10 30 ADEEMO C[C@@H]1C[N@H+]([C@H](C)C=O)[C@@H](C)[C@H]1C 575510527 352460443 /nfs/dbraw/zinc/46/04/43/352460443.db2.gz DXQHFKDKQKLXCZ-IMSYWVGJSA-N 1 1 169.268 1.550 10 30 ADEEMO C[C@@H](C=O)[N@@H+]1C[C@H]2CCC[C@H]2C1 575510547 352460587 /nfs/dbraw/zinc/46/05/87/352460587.db2.gz FRFQRJHTTNWFBO-LPEHRKFASA-N 1 1 167.252 1.306 10 30 ADEEMO C[C@H](C=O)n1c[nH+]c2c1CCCC2 575510622 352461571 /nfs/dbraw/zinc/46/15/71/352461571.db2.gz HUQKWYASCUHDLP-MRVPVSSYSA-N 1 1 178.235 1.522 10 30 ADEEMO N#C[C@@]1([NH3+])CCCC[C@H]1C1CC1 575511560 352467203 /nfs/dbraw/zinc/46/72/03/352467203.db2.gz GAAGNXVCEWDVSU-UWVGGRQHSA-N 1 1 164.252 1.808 10 30 ADEEMO C#C[C@@H](C)N[C@@H]1C[N@@H+](C)C(C)(C)C1 575522510 352522124 /nfs/dbraw/zinc/52/21/24/352522124.db2.gz FIWLILGKDUEGAP-ZJUUUORDSA-N 1 1 180.295 1.080 10 30 ADEEMO C=C(C)C[N@@H+]1CCCCC[C@@H]([NH3+])C1 575546050 352624555 /nfs/dbraw/zinc/62/45/55/352624555.db2.gz LVXLMNRFJQIRHL-LLVKDONJSA-N 1 1 182.311 1.766 10 30 ADEEMO SCC[N@@H+]1C[C@H]2CC[C@H]2C1 575548941 352632863 /nfs/dbraw/zinc/63/28/63/352632863.db2.gz JEXGDPKTELGISS-OCAPTIKFSA-N 1 1 157.282 1.258 10 30 ADEEMO F[C@H]1CCC[N@@H+](CCCS)C1 575551871 352643757 /nfs/dbraw/zinc/64/37/57/352643757.db2.gz XAXDIYRQKLYZOX-QMMMGPOBSA-N 1 1 177.288 1.740 10 30 ADEEMO CC(C)=CC(=O)[C@H]1C[NH2+]CC1(F)F 575567221 352710638 /nfs/dbraw/zinc/71/06/38/352710638.db2.gz YVVMDBOISHELOE-SSDOTTSWSA-N 1 1 189.205 1.376 10 30 ADEEMO C[C@H](C=O)[N@@H+]1CCCC(F)(F)CC1 575570091 352724062 /nfs/dbraw/zinc/72/40/62/352724062.db2.gz KKVHLGNIUGENHG-MRVPVSSYSA-N 1 1 191.221 1.695 10 30 ADEEMO C[C@@H](C=O)[N@H+]1C[C@@H]2CCCC[C@@]21C 575578646 352768580 /nfs/dbraw/zinc/76/85/80/352768580.db2.gz XSYSOQHLCMDZLD-DCAQKATOSA-N 1 1 181.279 1.838 10 30 ADEEMO CC[C@@](C)(O)C[N@H+]1CC[C@](C)(C#N)C1 595844293 352922908 /nfs/dbraw/zinc/92/29/08/352922908.db2.gz RZCDJXKAFDNEPU-GHMZBOCLSA-N 1 1 196.294 1.383 10 30 ADEEMO COCC#CCn1cc[nH+]c1C1CC1 530128710 325664113 /nfs/dbraw/zinc/66/41/13/325664113.db2.gz BBZABOIVSRAXBX-UHFFFAOYSA-N 1 1 190.246 1.410 10 30 ADEEMO C[N@H+]1[C@H]2CC[C@@H]1CC(C#N)C2 5352993 343001504 /nfs/dbraw/zinc/00/15/04/343001504.db2.gz DOUCIMIQXTWTDF-CBLAIPOGSA-N 1 1 150.225 1.383 10 30 ADEEMO CCCC[N@@H+](C)[C@H](C)/C=N/O 5419327 343002097 /nfs/dbraw/zinc/00/20/97/343002097.db2.gz BHFDWIZVSCNDCB-KGOFQHAKSA-N 1 1 158.245 1.567 10 30 ADEEMO C[C@H]1C[C@H]2C/C(=N\O)C[C@@H]1[N@H+](C)C2 12410359 343030834 /nfs/dbraw/zinc/03/08/34/343030834.db2.gz YABVPMUHBWEQOY-LQXYBQPRSA-N 1 1 182.267 1.567 10 30 ADEEMO C=CC[N@H+]1CCC(=O)[C@@H](C)[C@@H]1C 12417152 343030884 /nfs/dbraw/zinc/03/08/84/343030884.db2.gz AFLPPRKFMLLKAT-IUCAKERBSA-N 1 1 167.252 1.472 10 30 ADEEMO C=CC[N@@H+]1CCC(=O)[C@@H](C)[C@@H]1C 12417152 343030886 /nfs/dbraw/zinc/03/08/86/343030886.db2.gz AFLPPRKFMLLKAT-IUCAKERBSA-N 1 1 167.252 1.472 10 30 ADEEMO N#CCC[N@@H+]1CC[C@H]1C1CC1 17814433 343047330 /nfs/dbraw/zinc/04/73/30/343047330.db2.gz YTGAAWXOPJPNRS-VIFPVBQESA-N 1 1 150.225 1.384 10 30 ADEEMO N#CCC[N@H+]1CC[C@H]1C1CC1 17814433 343047333 /nfs/dbraw/zinc/04/73/33/343047333.db2.gz YTGAAWXOPJPNRS-VIFPVBQESA-N 1 1 150.225 1.384 10 30 ADEEMO N#CCC[N@@H+]1CC[C@@H]1C1CC1 17814429 343047341 /nfs/dbraw/zinc/04/73/41/343047341.db2.gz YTGAAWXOPJPNRS-SECBINFHSA-N 1 1 150.225 1.384 10 30 ADEEMO N#CCC[N@H+]1CC[C@@H]1C1CC1 17814429 343047343 /nfs/dbraw/zinc/04/73/43/343047343.db2.gz YTGAAWXOPJPNRS-SECBINFHSA-N 1 1 150.225 1.384 10 30 ADEEMO C=CCn1cc[nH+]c1C1CC1 18002099 343047841 /nfs/dbraw/zinc/04/78/41/343047841.db2.gz AGSVLNGTRQKFDR-UHFFFAOYSA-N 1 1 148.209 1.947 10 30 ADEEMO Cc1[nH+]ccn1CCCC#N 19484834 343056380 /nfs/dbraw/zinc/05/63/80/343056380.db2.gz GAVJQGBINATMCV-UHFFFAOYSA-N 1 1 149.197 1.495 10 30 ADEEMO C[C@H]1C[N@H+](CCCC#N)C[C@@H](C)O1 19438281 343055101 /nfs/dbraw/zinc/05/51/01/343055101.db2.gz FUTHDZJVNBCZCD-AOOOYVTPSA-N 1 1 182.267 1.399 10 30 ADEEMO C[C@H]1C[N@@H+](CCCC#N)C[C@@H](C)O1 19438281 343055102 /nfs/dbraw/zinc/05/51/02/343055102.db2.gz FUTHDZJVNBCZCD-AOOOYVTPSA-N 1 1 182.267 1.399 10 30 ADEEMO Cc1[nH+]ccn1-c1ccc(N)c(C#N)c1 21987620 343077151 /nfs/dbraw/zinc/07/71/51/343077151.db2.gz DPBOSGAANFPEGE-UHFFFAOYSA-N 1 1 198.229 1.635 10 30 ADEEMO C[C@H]1CCCC[C@@]1([NH3+])C#N 22171585 343080117 /nfs/dbraw/zinc/08/01/17/343080117.db2.gz XLANTDJWMAKCLI-JGVFFNPUSA-N 1 1 138.214 1.418 10 30 ADEEMO C[C@H]1CCCC[C@]1([NH3+])C#N 22171589 343080324 /nfs/dbraw/zinc/08/03/24/343080324.db2.gz XLANTDJWMAKCLI-YUMQZZPRSA-N 1 1 138.214 1.418 10 30 ADEEMO CCC1CCC([NH3+])(C#N)CC1 22210291 343080616 /nfs/dbraw/zinc/08/06/16/343080616.db2.gz PKIHBTZFRMFNEW-UHFFFAOYSA-N 1 1 152.241 1.808 10 30 ADEEMO O=CC[N@H+]1C[C@H]2CCCC[C@@H]21 24666830 343086386 /nfs/dbraw/zinc/08/63/86/343086386.db2.gz LDFLXKHDTIRHCQ-BDAKNGLRSA-N 1 1 153.225 1.060 10 30 ADEEMO O=CC[N@H+]1C[C@@H]2CCCC[C@@H]21 24666823 343086480 /nfs/dbraw/zinc/08/64/80/343086480.db2.gz LDFLXKHDTIRHCQ-IUCAKERBSA-N 1 1 153.225 1.060 10 30 ADEEMO C[C@H]1CCC[N@@H+](CCS)C1 26509718 343089352 /nfs/dbraw/zinc/08/93/52/343089352.db2.gz AUSGLVZSDFRMIF-QMMMGPOBSA-N 1 1 159.298 1.648 10 30 ADEEMO C[C@H]1CCC[N@H+](C[C@@H](C)C#N)C1 31945854 343094550 /nfs/dbraw/zinc/09/45/50/343094550.db2.gz HIBQDDVJOOBRHA-UWVGGRQHSA-N 1 1 166.268 1.878 10 30 ADEEMO C=CCN1CC[N@@H+](CC=C)[C@@H](C)C1 32139759 343098135 /nfs/dbraw/zinc/09/81/35/343098135.db2.gz BVKMZBVEMNMKPR-NSHDSACASA-N 1 1 180.295 1.365 10 30 ADEEMO C=CCN1CC[N@@H+](CC=C)C[C@@H]1C 32139759 343098136 /nfs/dbraw/zinc/09/81/36/343098136.db2.gz BVKMZBVEMNMKPR-NSHDSACASA-N 1 1 180.295 1.365 10 30 ADEEMO C=CCN1CC[N@H+](CC=C)C[C@@H]1C 32139759 343098138 /nfs/dbraw/zinc/09/81/38/343098138.db2.gz BVKMZBVEMNMKPR-NSHDSACASA-N 1 1 180.295 1.365 10 30 ADEEMO C=CCN1CC[N@@H+](CC=C)[C@H](C)C1 32139758 343098258 /nfs/dbraw/zinc/09/82/58/343098258.db2.gz BVKMZBVEMNMKPR-LLVKDONJSA-N 1 1 180.295 1.365 10 30 ADEEMO C=CCN1CC[N@@H+](CC=C)C[C@H]1C 32139758 343098260 /nfs/dbraw/zinc/09/82/60/343098260.db2.gz BVKMZBVEMNMKPR-LLVKDONJSA-N 1 1 180.295 1.365 10 30 ADEEMO C=CCN1CC[N@H+](CC=C)C[C@H]1C 32139758 343098262 /nfs/dbraw/zinc/09/82/62/343098262.db2.gz BVKMZBVEMNMKPR-LLVKDONJSA-N 1 1 180.295 1.365 10 30 ADEEMO COC(=O)CC/[NH+]=C/c1ccccc1 33944927 343107632 /nfs/dbraw/zinc/10/76/32/343107632.db2.gz DLZXVOXSALWUGE-FMIVXFBMSA-N 1 1 191.230 1.669 10 30 ADEEMO C[N@H+]1CCC[C@H]1CS 34539728 343121421 /nfs/dbraw/zinc/12/14/21/343121421.db2.gz HCYWWPNQMQXVMT-LURJTMIESA-N 1 1 131.244 1.010 10 30 ADEEMO CC1(C)CCC[N@H+]1CCC#N 34792311 343125142 /nfs/dbraw/zinc/12/51/42/343125142.db2.gz GLMMILDEBREHSF-UHFFFAOYSA-N 1 1 152.241 1.774 10 30 ADEEMO C[C@H]1COCC[N@@H+]1CCCC#N 35775989 343138993 /nfs/dbraw/zinc/13/89/93/343138993.db2.gz HIXZRCCYHJTURX-VIFPVBQESA-N 1 1 168.240 1.011 10 30 ADEEMO C[C@H]1COCC[N@H+]1CCCC#N 35775989 343138995 /nfs/dbraw/zinc/13/89/95/343138995.db2.gz HIXZRCCYHJTURX-VIFPVBQESA-N 1 1 168.240 1.011 10 30 ADEEMO CC[C@@H](CC#N)[NH+]1CCSCC1 36677420 343147690 /nfs/dbraw/zinc/14/76/90/343147690.db2.gz PCLXSFHTNGIHDM-VIFPVBQESA-N 1 1 184.308 1.727 10 30 ADEEMO CC[C@H](CC#N)[NH+]1CCSCC1 36677421 343147811 /nfs/dbraw/zinc/14/78/11/343147811.db2.gz PCLXSFHTNGIHDM-SECBINFHSA-N 1 1 184.308 1.727 10 30 ADEEMO C[N@@H+](CCCC#N)Cc1ccccn1 36777552 343150106 /nfs/dbraw/zinc/15/01/06/343150106.db2.gz APIXNUDOUUDSIV-UHFFFAOYSA-N 1 1 189.262 1.817 10 30 ADEEMO C=CC[NH2+][C@@H]1C[C@H](C)N(C)C[C@H]1C 36907454 343153693 /nfs/dbraw/zinc/15/36/93/343153693.db2.gz CBISDCSITNQKOX-OUAUKWLOSA-N 1 1 182.311 1.491 10 30 ADEEMO C=CC[NH2+][C@@H]1C[C@@H](C)N(C)C[C@H]1C 36907453 343153745 /nfs/dbraw/zinc/15/37/45/343153745.db2.gz CBISDCSITNQKOX-GMTAPVOTSA-N 1 1 182.311 1.491 10 30 ADEEMO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCCC#N 36908378 343153795 /nfs/dbraw/zinc/15/37/95/343153795.db2.gz HGGCRRFKINJCLQ-MXWKQRLJSA-N 1 1 195.310 1.218 10 30 ADEEMO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCCC#N 36908380 343154358 /nfs/dbraw/zinc/15/43/58/343154358.db2.gz HGGCRRFKINJCLQ-GMTAPVOTSA-N 1 1 195.310 1.218 10 30 ADEEMO CC[C@H](CC#N)N1CCC[N@@H+](C)CC1 36986724 343156958 /nfs/dbraw/zinc/15/69/58/343156958.db2.gz BEVNDOPXTCHLSH-LLVKDONJSA-N 1 1 195.310 1.316 10 30 ADEEMO Cc1[nH+]ccn1C[C@H](C)C#N 36986606 343156760 /nfs/dbraw/zinc/15/67/60/343156760.db2.gz OCQCUXCTQBAABS-SSDOTTSWSA-N 1 1 149.197 1.351 10 30 ADEEMO CC[C@@H](CC#N)N1CCC[N@@H+](C)CC1 36986723 343156810 /nfs/dbraw/zinc/15/68/10/343156810.db2.gz BEVNDOPXTCHLSH-NSHDSACASA-N 1 1 195.310 1.316 10 30 ADEEMO CC[N@@H+](CCCC#N)C1CC1 37079996 343158311 /nfs/dbraw/zinc/15/83/11/343158311.db2.gz CYGGHJNEOUHWBT-UHFFFAOYSA-N 1 1 152.241 1.774 10 30 ADEEMO C[N@@H+](C[C@@H]1CO1)C1CCCC1 37092738 343159101 /nfs/dbraw/zinc/15/91/01/343159101.db2.gz CFXRHMPCNNSEFH-SECBINFHSA-N 1 1 155.241 1.260 10 30 ADEEMO C[N@@H+](C[C@H]1CO1)C1CCCC1 37092739 343159259 /nfs/dbraw/zinc/15/92/59/343159259.db2.gz CFXRHMPCNNSEFH-VIFPVBQESA-N 1 1 155.241 1.260 10 30 ADEEMO CC[C@H]1CCCC[N@H+]1C[C@@H]1CO1 37083297 343159283 /nfs/dbraw/zinc/15/92/83/343159283.db2.gz UZGIXGKDVRZTPJ-VHSXEESVSA-N 1 1 169.268 1.650 10 30 ADEEMO CC[C@@H]1CCCC[N@H+]1C[C@@H]1CO1 37083296 343159401 /nfs/dbraw/zinc/15/94/01/343159401.db2.gz UZGIXGKDVRZTPJ-NXEZZACHSA-N 1 1 169.268 1.650 10 30 ADEEMO C[N@@H+](C1CC1)[C@H]1CCC[C@@H]1C#N 37147009 343160865 /nfs/dbraw/zinc/16/08/65/343160865.db2.gz XFAKRJGENXOLCK-SCZZXKLOSA-N 1 1 164.252 1.773 10 30 ADEEMO C[N@@H+](C1CC1)[C@@H]1CCC[C@@H]1C#N 37147008 343160939 /nfs/dbraw/zinc/16/09/39/343160939.db2.gz XFAKRJGENXOLCK-PSASIEDQSA-N 1 1 164.252 1.773 10 30 ADEEMO CC[C@H](C)[C@@](C)([NH3+])C#N 37745332 343177289 /nfs/dbraw/zinc/17/72/89/343177289.db2.gz HDMMVHVECMXXEZ-BQBZGAKWSA-N 1 1 126.203 1.273 10 30 ADEEMO C[N@@H+](CCO)[C@@H]1CCCCC[C@@H]1C#N 37899292 343179933 /nfs/dbraw/zinc/17/99/33/343179933.db2.gz PMQOZPOTLDUBBL-GHMZBOCLSA-N 1 1 196.294 1.383 10 30 ADEEMO C[C@H]1CCC[N@H+]1CCC#N 37910720 343180633 /nfs/dbraw/zinc/18/06/33/343180633.db2.gz VKOJISIVTJFQGD-QMMMGPOBSA-N 1 1 138.214 1.384 10 30 ADEEMO CC[C@@H]1CCC[N@H+]1C[C@@H]1CO1 37913710 343181131 /nfs/dbraw/zinc/18/11/31/343181131.db2.gz KBUVINUIORWHGV-RKDXNWHRSA-N 1 1 155.241 1.260 10 30 ADEEMO CC[C@H]1CCC[N@H+]1C[C@@H]1CO1 37913711 343181227 /nfs/dbraw/zinc/18/12/27/343181227.db2.gz KBUVINUIORWHGV-DTWKUNHWSA-N 1 1 155.241 1.260 10 30 ADEEMO C[N@H+]1CCC[C@H]1CCC#N 39599697 343213396 /nfs/dbraw/zinc/21/33/96/343213396.db2.gz MGOLIPUHUVMVNO-MRVPVSSYSA-N 1 1 138.214 1.384 10 30 ADEEMO CC(C)[C@@H](C#N)[NH+]1CCCC1 39651280 343213544 /nfs/dbraw/zinc/21/35/44/343213544.db2.gz UCPLLNRYKAWAQN-SECBINFHSA-N 1 1 152.241 1.630 10 30 ADEEMO CC(C)[C@H](C#N)[NH+]1CCCC1 39651281 343213669 /nfs/dbraw/zinc/21/36/69/343213669.db2.gz UCPLLNRYKAWAQN-VIFPVBQESA-N 1 1 152.241 1.630 10 30 ADEEMO C[C@H]1CC[N@@H+](CCC#N)C1 40718169 343221576 /nfs/dbraw/zinc/22/15/76/343221576.db2.gz LPKASMSNDLNKNT-QMMMGPOBSA-N 1 1 138.214 1.242 10 30 ADEEMO C[C@@H](C#N)C[N@H+]1CC[C@@H](C)C1 40718194 343221615 /nfs/dbraw/zinc/22/16/15/343221615.db2.gz STWDNCPECOVIFU-BDAKNGLRSA-N 1 1 152.241 1.488 10 30 ADEEMO C[C@H]1CC[N@@H+](CCCC#N)C1 40718157 343221947 /nfs/dbraw/zinc/22/19/47/343221947.db2.gz DXXWXWZUBZGIDW-VIFPVBQESA-N 1 1 152.241 1.632 10 30 ADEEMO C#CC[N@@H+](C)Cc1ccc(C)o1 41635715 343235512 /nfs/dbraw/zinc/23/55/12/343235512.db2.gz JDHRGTNIKXDYCZ-UHFFFAOYSA-N 1 1 163.220 1.653 10 30 ADEEMO C#CC[N@H+](C)Cc1ccc(C)o1 41635715 343235513 /nfs/dbraw/zinc/23/55/13/343235513.db2.gz JDHRGTNIKXDYCZ-UHFFFAOYSA-N 1 1 163.220 1.653 10 30 ADEEMO C#CC[N@H+](C)C1CCCC1 41636221 343235701 /nfs/dbraw/zinc/23/57/01/343235701.db2.gz YFLVNRQKHPYRPK-UHFFFAOYSA-N 1 1 137.226 1.494 10 30 ADEEMO CNC(=[NH+]N)c1cc2c(s1)CCC2 42035202 343236803 /nfs/dbraw/zinc/23/68/03/343236803.db2.gz SLBRNVXMJJMWAG-UHFFFAOYSA-N 1 1 195.291 1.077 10 30 ADEEMO CC(C)NC(=[NH+]N)c1ccsc1 42036394 343236912 /nfs/dbraw/zinc/23/69/12/343236912.db2.gz VCLFBZXFJAFQBO-UHFFFAOYSA-N 1 1 183.280 1.366 10 30 ADEEMO Cn1cc(C[N@@H+](C)CCCC#N)cn1 42225277 343238509 /nfs/dbraw/zinc/23/85/09/343238509.db2.gz GPXXDJRGVCBABN-UHFFFAOYSA-N 1 1 192.266 1.156 10 30 ADEEMO Cn1cc(C[N@H+](C)CCCC#N)cn1 42225277 343238506 /nfs/dbraw/zinc/23/85/06/343238506.db2.gz GPXXDJRGVCBABN-UHFFFAOYSA-N 1 1 192.266 1.156 10 30 ADEEMO C#CC[N@@H+]1CCO[C@H]2CCCC[C@@H]21 42251421 343239115 /nfs/dbraw/zinc/23/91/15/343239115.db2.gz JICUZLVPGSSCSL-QWRGUYRKSA-N 1 1 179.263 1.263 10 30 ADEEMO C#CC[N@H+]1CCO[C@H]2CCCC[C@@H]21 42251421 343239118 /nfs/dbraw/zinc/23/91/18/343239118.db2.gz JICUZLVPGSSCSL-QWRGUYRKSA-N 1 1 179.263 1.263 10 30 ADEEMO COCC[N@@H+](CCCC#N)CC(C)C 42250644 343239141 /nfs/dbraw/zinc/23/91/41/343239141.db2.gz FHIZFXVJJNWIKA-UHFFFAOYSA-N 1 1 198.310 1.895 10 30 ADEEMO C[N@@H+](CCCC#N)C[C@H]1CCCO1 42338148 343240536 /nfs/dbraw/zinc/24/05/36/343240536.db2.gz CXDGXFHCOSGMRU-SNVBAGLBSA-N 1 1 182.267 1.401 10 30 ADEEMO C[N@@H+](CCCC#N)C[C@@H]1CCCO1 42338147 343240687 /nfs/dbraw/zinc/24/06/87/343240687.db2.gz CXDGXFHCOSGMRU-JTQLQIEISA-N 1 1 182.267 1.401 10 30 ADEEMO CCO[C@@H]1CCC[N@@H+](CCCC#N)C1 42422270 343242036 /nfs/dbraw/zinc/24/20/36/343242036.db2.gz COTMQCOCPZNTJF-LLVKDONJSA-N 1 1 196.294 1.791 10 30 ADEEMO CCc1[nH+]ccn1[C@H](C)CC#N 42419834 343242107 /nfs/dbraw/zinc/24/21/07/343242107.db2.gz OLPSECFCXDYRHA-MRVPVSSYSA-N 1 1 163.224 1.920 10 30 ADEEMO CCO[C@H]1CCC[N@@H+](CCCC#N)C1 42422271 343242158 /nfs/dbraw/zinc/24/21/58/343242158.db2.gz COTMQCOCPZNTJF-NSHDSACASA-N 1 1 196.294 1.791 10 30 ADEEMO CCc1[nH+]ccn1[C@@H](C)CC#N 42419833 343242196 /nfs/dbraw/zinc/24/21/96/343242196.db2.gz OLPSECFCXDYRHA-QMMMGPOBSA-N 1 1 163.224 1.920 10 30 ADEEMO CCc1[nH+]ccn1C[C@H](C)C#N 42419801 343242210 /nfs/dbraw/zinc/24/22/10/343242210.db2.gz NSORVXRYMATYRC-MRVPVSSYSA-N 1 1 163.224 1.605 10 30 ADEEMO CCc1[nH+]ccn1C[C@@H](C)C#N 42419800 343242301 /nfs/dbraw/zinc/24/23/01/343242301.db2.gz NSORVXRYMATYRC-QMMMGPOBSA-N 1 1 163.224 1.605 10 30 ADEEMO C#CC[N@H+]1CCCSCC1 42444516 343242480 /nfs/dbraw/zinc/24/24/80/343242480.db2.gz MSLYAGFKNARIHM-UHFFFAOYSA-N 1 1 155.266 1.059 10 30 ADEEMO C[C@H](C#N)C[N@@H+]1CCCSCC1 42443876 343242726 /nfs/dbraw/zinc/24/27/26/343242726.db2.gz SGIKOBSDMGYSTR-SECBINFHSA-N 1 1 184.308 1.585 10 30 ADEEMO C[C@H](C#N)C[N@H+]1CCCSCC1 42443876 343242728 /nfs/dbraw/zinc/24/27/28/343242728.db2.gz SGIKOBSDMGYSTR-SECBINFHSA-N 1 1 184.308 1.585 10 30 ADEEMO C[C@@H](C#N)C[N@@H+]1CCCSCC1 42443878 343242942 /nfs/dbraw/zinc/24/29/42/343242942.db2.gz SGIKOBSDMGYSTR-VIFPVBQESA-N 1 1 184.308 1.585 10 30 ADEEMO C[C@@H](C#N)C[N@H+]1CCCSCC1 42443878 343242944 /nfs/dbraw/zinc/24/29/44/343242944.db2.gz SGIKOBSDMGYSTR-VIFPVBQESA-N 1 1 184.308 1.585 10 30 ADEEMO CC[C@H](CC#N)[N@H+]1CCC[C@H](O)C1 42468190 343243620 /nfs/dbraw/zinc/24/36/20/343243620.db2.gz FGYRKCPDLNNAOV-ZJUUUORDSA-N 1 1 182.267 1.135 10 30 ADEEMO CC[C@@H](CC#N)[N@H+]1CCC[C@H](O)C1 42468187 343243627 /nfs/dbraw/zinc/24/36/27/343243627.db2.gz FGYRKCPDLNNAOV-UWVGGRQHSA-N 1 1 182.267 1.135 10 30 ADEEMO CC[N@@H+](CCCC#N)C[C@@H]1CCCO1 42468278 343243646 /nfs/dbraw/zinc/24/36/46/343243646.db2.gz GHEINTURTQXBIA-NSHDSACASA-N 1 1 196.294 1.791 10 30 ADEEMO CC[N@@H+](CCCC#N)C[C@H]1CCCO1 42468281 343243902 /nfs/dbraw/zinc/24/39/02/343243902.db2.gz GHEINTURTQXBIA-LLVKDONJSA-N 1 1 196.294 1.791 10 30 ADEEMO CC1CCC([N@@H+](C)C[C@@H]2CO2)CC1 42487694 343244223 /nfs/dbraw/zinc/24/42/23/343244223.db2.gz UIOFKXCIUDITCT-VQXHTEKXSA-N 1 1 183.295 1.896 10 30 ADEEMO CC1CCC([N@@H+](C)C[C@H]2CO2)CC1 42487695 343244297 /nfs/dbraw/zinc/24/42/97/343244297.db2.gz UIOFKXCIUDITCT-ILDUYXDCSA-N 1 1 183.295 1.896 10 30 ADEEMO C[C@H]1CCC[C@H]([N@@H+](C)C[C@@H]2CO2)C1 42492929 343244435 /nfs/dbraw/zinc/24/44/35/343244435.db2.gz UCINZEOSQLMRJS-GARJFASQSA-N 1 1 183.295 1.896 10 30 ADEEMO COCC[N@H+](C[C@@H](C)C#N)C1CC1 42518248 343245071 /nfs/dbraw/zinc/24/50/71/343245071.db2.gz NFESEHJRLZBIEX-VIFPVBQESA-N 1 1 182.267 1.257 10 30 ADEEMO COCC[N@@H+](C[C@@H](C)C#N)C1CC1 42518248 343245073 /nfs/dbraw/zinc/24/50/73/343245073.db2.gz NFESEHJRLZBIEX-VIFPVBQESA-N 1 1 182.267 1.257 10 30 ADEEMO COCC[N@H+](C[C@H](C)C#N)C1CC1 42518247 343245140 /nfs/dbraw/zinc/24/51/40/343245140.db2.gz NFESEHJRLZBIEX-SECBINFHSA-N 1 1 182.267 1.257 10 30 ADEEMO COCC[N@@H+](C[C@H](C)C#N)C1CC1 42518247 343245142 /nfs/dbraw/zinc/24/51/42/343245142.db2.gz NFESEHJRLZBIEX-SECBINFHSA-N 1 1 182.267 1.257 10 30 ADEEMO CC[C@H]1CCC[N@H+]([C@@H](C)/C(N)=N/O)C1 43516038 343253820 /nfs/dbraw/zinc/25/38/20/343253820.db2.gz HYGVJTNHDIPEIR-IUCAKERBSA-N 1 1 199.298 1.243 10 30 ADEEMO CC[C@@H]1CCC[N@H+]([C@@H](C)/C(N)=N/O)C1 43516037 343253969 /nfs/dbraw/zinc/25/39/69/343253969.db2.gz HYGVJTNHDIPEIR-DTWKUNHWSA-N 1 1 199.298 1.243 10 30 ADEEMO CC[C@@H]1CCC[N@@H+]1[C@@H](C)C#N 43522027 343254355 /nfs/dbraw/zinc/25/43/55/343254355.db2.gz FKGNHYZSMGABLS-DTWKUNHWSA-N 1 1 152.241 1.773 10 30 ADEEMO CC[C@@H]1CCC[N@H+]1[C@@H](C)C#N 43522027 343254357 /nfs/dbraw/zinc/25/43/57/343254357.db2.gz FKGNHYZSMGABLS-DTWKUNHWSA-N 1 1 152.241 1.773 10 30 ADEEMO CC[C@H]1CCC[N@@H+]1[C@@H](C)C#N 43522029 343254475 /nfs/dbraw/zinc/25/44/75/343254475.db2.gz FKGNHYZSMGABLS-IUCAKERBSA-N 1 1 152.241 1.773 10 30 ADEEMO CC[C@H]1CCC[N@H+]1[C@@H](C)C#N 43522029 343254476 /nfs/dbraw/zinc/25/44/76/343254476.db2.gz FKGNHYZSMGABLS-IUCAKERBSA-N 1 1 152.241 1.773 10 30 ADEEMO CC[C@H](C#N)N[C@H]1CC[N@H+]2CCC[C@H]12 43541515 343255195 /nfs/dbraw/zinc/25/51/95/343255195.db2.gz OVYDPJMQGYPCBF-OUAUKWLOSA-N 1 1 193.294 1.115 10 30 ADEEMO CC[C@H](C#N)N[C@@H]1CC[N@H+]2CCC[C@H]12 43541513 343255217 /nfs/dbraw/zinc/25/52/17/343255217.db2.gz OVYDPJMQGYPCBF-GMTAPVOTSA-N 1 1 193.294 1.115 10 30 ADEEMO CC[C@@H](C#N)[N@@H+]1CCC[C@@H]1C 43556416 343255283 /nfs/dbraw/zinc/25/52/83/343255283.db2.gz YCKXDLJBNJOZNW-IUCAKERBSA-N 1 1 152.241 1.773 10 30 ADEEMO CC[C@@H](C#N)[N@H+]1CCC[C@@H]1C 43556416 343255284 /nfs/dbraw/zinc/25/52/84/343255284.db2.gz YCKXDLJBNJOZNW-IUCAKERBSA-N 1 1 152.241 1.773 10 30 ADEEMO CC[C@H](C#N)N1CC[NH+](C2CC2)CC1 43556589 343255357 /nfs/dbraw/zinc/25/53/57/343255357.db2.gz OASBXCADYVKEBL-SNVBAGLBSA-N 1 1 193.294 1.069 10 30 ADEEMO CC[C@H](C#N)[N@@H+]1CCC[C@@H]1C 43556418 343255385 /nfs/dbraw/zinc/25/53/85/343255385.db2.gz YCKXDLJBNJOZNW-DTWKUNHWSA-N 1 1 152.241 1.773 10 30 ADEEMO CC[C@H](C#N)[N@H+]1CCC[C@@H]1C 43556418 343255387 /nfs/dbraw/zinc/25/53/87/343255387.db2.gz YCKXDLJBNJOZNW-DTWKUNHWSA-N 1 1 152.241 1.773 10 30 ADEEMO CC[C@H](C#N)n1cc[nH+]c1C 43556869 343255516 /nfs/dbraw/zinc/25/55/16/343255516.db2.gz BYDYGKGPXKZFKL-MRVPVSSYSA-N 1 1 149.197 1.666 10 30 ADEEMO CCc1[nH+]ccn1[C@@H](C#N)CC 43556911 343255565 /nfs/dbraw/zinc/25/55/65/343255565.db2.gz ATIHHMVDSWPTBX-MRVPVSSYSA-N 1 1 163.224 1.920 10 30 ADEEMO CC[C@@H](C#N)n1cc[nH+]c1C 43556867 343255594 /nfs/dbraw/zinc/25/55/94/343255594.db2.gz BYDYGKGPXKZFKL-QMMMGPOBSA-N 1 1 149.197 1.666 10 30 ADEEMO CCc1[nH+]ccn1[C@H](C#N)CC 43556910 343255655 /nfs/dbraw/zinc/25/56/55/343255655.db2.gz ATIHHMVDSWPTBX-QMMMGPOBSA-N 1 1 163.224 1.920 10 30 ADEEMO C[C@H]1C[C@@H](C)C[N@@H+](CC=O)C1 43803148 343259131 /nfs/dbraw/zinc/25/91/31/343259131.db2.gz AVTBGNOQKKZWHN-DTORHVGOSA-N 1 1 155.241 1.163 10 30 ADEEMO CC[C@H]1CCC[N@H+]1CC=O 43803382 343259695 /nfs/dbraw/zinc/25/96/95/343259695.db2.gz QKCVAFPGTOVYQX-QMMMGPOBSA-N 1 1 141.214 1.060 10 30 ADEEMO O=CC[N@H+]1CC[C@@H]2CCCC[C@H]2C1 43803352 343259732 /nfs/dbraw/zinc/25/97/32/343259732.db2.gz FOYSOVJDMRKSFX-QWRGUYRKSA-N 1 1 181.279 1.697 10 30 ADEEMO C[C@H]1CCCC[N@H+]1CC=O 43803175 343259739 /nfs/dbraw/zinc/25/97/39/343259739.db2.gz KJSHQXPSXJAZNA-QMMMGPOBSA-N 1 1 141.214 1.060 10 30 ADEEMO C[C@H]1CCC[C@@H](C)[N@H+]1CC=O 43803222 343259776 /nfs/dbraw/zinc/25/97/76/343259776.db2.gz ZBWBIQUFGORYNX-DTORHVGOSA-N 1 1 155.241 1.448 10 30 ADEEMO CC[C@@H]1CCC[N@@H+](CC=O)C1 43803329 343259826 /nfs/dbraw/zinc/25/98/26/343259826.db2.gz SVIILBIIPYWHAU-SECBINFHSA-N 1 1 155.241 1.307 10 30 ADEEMO C[N@@H+](CC=O)C1CCCCC1 43803217 343259846 /nfs/dbraw/zinc/25/98/46/343259846.db2.gz ULVWZKYKHZXPIV-UHFFFAOYSA-N 1 1 155.241 1.450 10 30 ADEEMO C[N@@H+](CC=O)C1CCCC1 43803263 343259863 /nfs/dbraw/zinc/25/98/63/343259863.db2.gz RAPXCJVDBQPHSX-UHFFFAOYSA-N 1 1 141.214 1.060 10 30 ADEEMO CC1CCC([N@@H+](C)CC=O)CC1 43803448 343259933 /nfs/dbraw/zinc/25/99/33/343259933.db2.gz CGXZTAWWQWQZET-UHFFFAOYSA-N 1 1 169.268 1.696 10 30 ADEEMO CC[C@H]1CCC[N@@H+](CC=O)C1 43803332 343259959 /nfs/dbraw/zinc/25/99/59/343259959.db2.gz SVIILBIIPYWHAU-VIFPVBQESA-N 1 1 155.241 1.307 10 30 ADEEMO CC[C@@H]1CCC[N@H+]1CC=O 43803379 343259995 /nfs/dbraw/zinc/25/99/95/343259995.db2.gz QKCVAFPGTOVYQX-MRVPVSSYSA-N 1 1 141.214 1.060 10 30 ADEEMO CC[C@@H]1CCCC[N@H+]1CC=O 43803258 343260046 /nfs/dbraw/zinc/26/00/46/343260046.db2.gz NLMULBYOQRSCEP-SECBINFHSA-N 1 1 155.241 1.450 10 30 ADEEMO CC[C@H]1CCCC[N@H+]1CC=O 43803261 343260053 /nfs/dbraw/zinc/26/00/53/343260053.db2.gz NLMULBYOQRSCEP-VIFPVBQESA-N 1 1 155.241 1.450 10 30 ADEEMO CC[N@@H+](C[C@H](C)C#N)CC(C)(C)O 44413224 343265465 /nfs/dbraw/zinc/26/54/65/343265465.db2.gz FJCVDQMPDVMHTR-SECBINFHSA-N 1 1 184.283 1.239 10 30 ADEEMO C[C@H]1C[N@@H+](CCCC#N)CC(C)(C)O1 44477773 343266319 /nfs/dbraw/zinc/26/63/19/343266319.db2.gz CPZMIIGASTUEDC-JTQLQIEISA-N 1 1 196.294 1.789 10 30 ADEEMO CC[C@H]1C[N@@H+](CCCCC#N)CCO1 49579393 343276008 /nfs/dbraw/zinc/27/60/08/343276008.db2.gz FLMRCPHIFNWAOF-NSHDSACASA-N 1 1 196.294 1.791 10 30 ADEEMO C[C@@H]1C[N@@H+](CCCCC#N)CCO1 49579353 343276015 /nfs/dbraw/zinc/27/60/15/343276015.db2.gz FCABSFXHZZDNDM-SNVBAGLBSA-N 1 1 182.267 1.401 10 30 ADEEMO C[N@@H+](CCCCC#N)C[C@H]1CCCO1 49579439 343276021 /nfs/dbraw/zinc/27/60/21/343276021.db2.gz ORNNZLKXNUNMKH-LLVKDONJSA-N 1 1 196.294 1.791 10 30 ADEEMO C[C@H]1C[N@@H+](CCCCC#N)CCO1 49579354 343276031 /nfs/dbraw/zinc/27/60/31/343276031.db2.gz FCABSFXHZZDNDM-JTQLQIEISA-N 1 1 182.267 1.401 10 30 ADEEMO CC[C@@H]1C[N@@H+](CCCCC#N)CCO1 49579392 343276124 /nfs/dbraw/zinc/27/61/24/343276124.db2.gz FLMRCPHIFNWAOF-LLVKDONJSA-N 1 1 196.294 1.791 10 30 ADEEMO Cc1ccc(O[C@@H](C)C#N)c(N)[nH+]1 50441069 343282955 /nfs/dbraw/zinc/28/29/55/343282955.db2.gz CHXPWPKAOIMBAB-ZETCQYMHSA-N 1 1 177.207 1.263 10 30 ADEEMO Cc1ccc(O[C@H](C)C#N)c(N)[nH+]1 50441070 343282997 /nfs/dbraw/zinc/28/29/97/343282997.db2.gz CHXPWPKAOIMBAB-SSDOTTSWSA-N 1 1 177.207 1.263 10 30 ADEEMO CC[C@H](C#N)Oc1ccc(C)[nH+]c1N 50441065 343283305 /nfs/dbraw/zinc/28/33/05/343283305.db2.gz OOZHYITULVARDK-MRVPVSSYSA-N 1 1 191.234 1.653 10 30 ADEEMO C[C@H]1CCC[N@@H+](C[C@@H]2CO2)[C@@H]1C 50564673 343284254 /nfs/dbraw/zinc/28/42/54/343284254.db2.gz XLMSHIILYQCZHE-IVZWLZJFSA-N 1 1 169.268 1.506 10 30 ADEEMO C[C@@H]1CCC[N@@H+](C[C@@H]2CO2)[C@@H]1C 50564672 343284369 /nfs/dbraw/zinc/28/43/69/343284369.db2.gz XLMSHIILYQCZHE-OPRDCNLKSA-N 1 1 169.268 1.506 10 30 ADEEMO c1ccc2c(c1)C[NH+](C[C@@H]1CO1)C2 50911235 343286716 /nfs/dbraw/zinc/28/67/16/343286716.db2.gz QSWYQUBCOSVYAA-LLVKDONJSA-N 1 1 175.231 1.401 10 30 ADEEMO c1ccc2c(c1)C[NH+](C[C@H]1CO1)C2 50911236 343286781 /nfs/dbraw/zinc/28/67/81/343286781.db2.gz QSWYQUBCOSVYAA-NSHDSACASA-N 1 1 175.231 1.401 10 30 ADEEMO C[C@H]1CCC[N@H+]1C[C@]1(C=O)CCOC1 51174955 343289368 /nfs/dbraw/zinc/28/93/68/343289368.db2.gz IUIWRIQQMFKOMB-QWRGUYRKSA-N 1 1 197.278 1.076 10 30 ADEEMO C[C@H]1CCC[N@H+]1CC(C)(C)C=O 51174975 343289494 /nfs/dbraw/zinc/28/94/94/343289494.db2.gz JNPXHZXRLGXADG-VIFPVBQESA-N 1 1 169.268 1.696 10 30 ADEEMO CC#CCNC[C@H]1CCCC[N@@H+]1C 51663665 343290795 /nfs/dbraw/zinc/29/07/95/343290795.db2.gz RTMKZWKGRWCJPX-LLVKDONJSA-N 1 1 180.295 1.084 10 30 ADEEMO CC#CCNC[C@H]1CCCC[N@H+]1C 51663665 343290797 /nfs/dbraw/zinc/29/07/97/343290797.db2.gz RTMKZWKGRWCJPX-LLVKDONJSA-N 1 1 180.295 1.084 10 30 ADEEMO C[C@@H]1CC[N@@H+](CC=O)[C@H](C)C1 51733516 343292529 /nfs/dbraw/zinc/29/25/29/343292529.db2.gz ODLPOLZTIGMYDD-RKDXNWHRSA-N 1 1 155.241 1.306 10 30 ADEEMO C[C@@H]1CC[N@@H+](C[C@@H]2CO2)[C@H](C)C1 51731752 343292683 /nfs/dbraw/zinc/29/26/83/343292683.db2.gz ZGNDJJPTHXJVIH-OPRDCNLKSA-N 1 1 169.268 1.506 10 30 ADEEMO C[C@H]1CC[N@@H+](CC=O)[C@H](C)C1 51733518 343292899 /nfs/dbraw/zinc/29/28/99/343292899.db2.gz ODLPOLZTIGMYDD-DTWKUNHWSA-N 1 1 155.241 1.306 10 30 ADEEMO C[C@H]1CC[N@@H+](C[C@@H]2CO2)[C@H](C)C1 51731754 343292935 /nfs/dbraw/zinc/29/29/35/343292935.db2.gz ZGNDJJPTHXJVIH-IVZWLZJFSA-N 1 1 169.268 1.506 10 30 ADEEMO Cc1[nH+]cn([C@@H](C)CC#N)c1C 51927006 343295927 /nfs/dbraw/zinc/29/59/27/343295927.db2.gz QAOUQJOQCHCJSA-ZETCQYMHSA-N 1 1 163.224 1.975 10 30 ADEEMO Cc1[nH+]cn(C[C@@H](C)C#N)c1C 51926957 343295978 /nfs/dbraw/zinc/29/59/78/343295978.db2.gz VEAVXOGCKPIONC-ZETCQYMHSA-N 1 1 163.224 1.660 10 30 ADEEMO Cc1[nH+]cn(C[C@H](C)C#N)c1C 51926958 343295992 /nfs/dbraw/zinc/29/59/92/343295992.db2.gz VEAVXOGCKPIONC-SSDOTTSWSA-N 1 1 163.224 1.660 10 30 ADEEMO C=C[C@@H](C)[NH+]1CCC(=O)CC1 52142211 343301393 /nfs/dbraw/zinc/30/13/93/343301393.db2.gz PXLJYKKNQYSIEF-MRVPVSSYSA-N 1 1 153.225 1.226 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCC[C@H](CO)C1 52144804 343301467 /nfs/dbraw/zinc/30/14/67/343301467.db2.gz WLDBZGYNDMILNJ-UWVGGRQHSA-N 1 1 169.268 1.265 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCC[C@H](CO)C1 52144806 343301519 /nfs/dbraw/zinc/30/15/19/343301519.db2.gz WLDBZGYNDMILNJ-ZJUUUORDSA-N 1 1 169.268 1.265 10 30 ADEEMO N#CCC[N@@H+]1CCC[C@@H]1CCCO 52759553 343306927 /nfs/dbraw/zinc/30/69/27/343306927.db2.gz KLKSEJSLROSSKS-SNVBAGLBSA-N 1 1 182.267 1.137 10 30 ADEEMO C=C(C)C[N@H+]1CCC[C@@H]1CCCO 52762751 343306943 /nfs/dbraw/zinc/30/69/43/343306943.db2.gz LCAJJLFJWGCAFT-LLVKDONJSA-N 1 1 183.295 1.799 10 30 ADEEMO CC#CC[N@H+]1CCC[C@H]1CCCO 52762652 343306991 /nfs/dbraw/zinc/30/69/91/343306991.db2.gz QJTNCNNXADZWQD-NSHDSACASA-N 1 1 181.279 1.247 10 30 ADEEMO C=CC[N@@H+]1CCC[C@@H]1CCCO 52761995 343306999 /nfs/dbraw/zinc/30/69/99/343306999.db2.gz IYVGIAFEWVZZPP-SNVBAGLBSA-N 1 1 169.268 1.409 10 30 ADEEMO C=CC[N@@H+]1CCC[C@H]1CCCO 52761996 343307139 /nfs/dbraw/zinc/30/71/39/343307139.db2.gz IYVGIAFEWVZZPP-JTQLQIEISA-N 1 1 169.268 1.409 10 30 ADEEMO N#CCCC[N@@H+]1CCC[C@H]1CCCO 52759558 343307196 /nfs/dbraw/zinc/30/71/96/343307196.db2.gz JRPNDTGZVBEPPH-NSHDSACASA-N 1 1 196.294 1.527 10 30 ADEEMO N/C(NCc1ccccc1Cl)=[NH+]\O 52833521 343309186 /nfs/dbraw/zinc/30/91/86/343309186.db2.gz XJTPFLWCCVSBFS-UHFFFAOYSA-N 1 1 199.641 1.134 10 30 ADEEMO C[C@@H](N/C(N)=[NH+]/O)c1cccs1 52833730 343309672 /nfs/dbraw/zinc/30/96/72/343309672.db2.gz DYIBLQDTGMKBIT-RXMQYKEDSA-N 1 1 185.252 1.103 10 30 ADEEMO C[C@H](N/C(N)=[NH+]/O)c1cccs1 52833728 343309887 /nfs/dbraw/zinc/30/98/87/343309887.db2.gz DYIBLQDTGMKBIT-YFKPBYRVSA-N 1 1 185.252 1.103 10 30 ADEEMO CC[C@@H](N/C(N)=[NH+]/O)c1cccs1 52834131 343310042 /nfs/dbraw/zinc/31/00/42/343310042.db2.gz GSZYKCWORHUZEO-ZCFIWIBFSA-N 1 1 199.279 1.493 10 30 ADEEMO C[C@H](N/C(N)=[NH+]/O)c1cccc(F)c1 52834293 343310045 /nfs/dbraw/zinc/31/00/45/343310045.db2.gz APRZEMOEGJTHRB-LURJTMIESA-N 1 1 197.213 1.180 10 30 ADEEMO CC[C@H](N/C(N)=[NH+]/O)c1cccs1 52834129 343310167 /nfs/dbraw/zinc/31/01/67/343310167.db2.gz GSZYKCWORHUZEO-LURJTMIESA-N 1 1 199.279 1.493 10 30 ADEEMO C[C@@H](N/C(N)=[NH+]/O)c1cccc(F)c1 52834295 343310345 /nfs/dbraw/zinc/31/03/45/343310345.db2.gz APRZEMOEGJTHRB-ZCFIWIBFSA-N 1 1 197.213 1.180 10 30 ADEEMO Cc1ccc([C@@H](C)N/C(N)=[NH+]/O)s1 52834630 343310750 /nfs/dbraw/zinc/31/07/50/343310750.db2.gz AAZSLIIBBCPULH-ZCFIWIBFSA-N 1 1 199.279 1.411 10 30 ADEEMO Cc1ccc([C@H](C)N/C(N)=[NH+]/O)s1 52834633 343310881 /nfs/dbraw/zinc/31/08/81/343310881.db2.gz AAZSLIIBBCPULH-LURJTMIESA-N 1 1 199.279 1.411 10 30 ADEEMO N/C(NCc1cccc(Cl)c1)=[NH+]\O 53162204 343312918 /nfs/dbraw/zinc/31/29/18/343312918.db2.gz ISUVMOPFEXVYIH-UHFFFAOYSA-N 1 1 199.641 1.134 10 30 ADEEMO CC[C@@H](C#N)N(C)[C@@H]1CCC[N@@H+](C)C1 53245307 343313615 /nfs/dbraw/zinc/31/36/15/343313615.db2.gz FIUXGSPRBKQBCL-WDEREUQCSA-N 1 1 195.310 1.315 10 30 ADEEMO C[C@H](CC#N)N(C)[C@@H]1CCC[N@@H+](C)C1 53245304 343313764 /nfs/dbraw/zinc/31/37/64/343313764.db2.gz VQZIFGHUPZAXBL-GHMZBOCLSA-N 1 1 195.310 1.315 10 30 ADEEMO C[C@@H](CC#N)N(C)[C@@H]1CCC[N@@H+](C)C1 53245303 343313802 /nfs/dbraw/zinc/31/38/02/343313802.db2.gz VQZIFGHUPZAXBL-WDEREUQCSA-N 1 1 195.310 1.315 10 30 ADEEMO C=CC[N@H+]1CCCC[C@@H]1C=O 54237998 343320225 /nfs/dbraw/zinc/32/02/25/343320225.db2.gz BPSWVEISMWGSQG-SECBINFHSA-N 1 1 153.225 1.226 10 30 ADEEMO C[C@]([NH3+])(C#N)C1CCCC1 54081658 343317995 /nfs/dbraw/zinc/31/79/95/343317995.db2.gz XEQQBMUFAPWZFJ-QMMMGPOBSA-N 1 1 138.214 1.418 10 30 ADEEMO CCC[N@H+]1CCC[C@H](C=O)C1 54217883 343319809 /nfs/dbraw/zinc/31/98/09/343319809.db2.gz IMKZBMQTDROKCX-VIFPVBQESA-N 1 1 155.241 1.307 10 30 ADEEMO O=C[C@@H]1CCC[N@@H+](Cc2ccco2)C1 54236843 343320164 /nfs/dbraw/zinc/32/01/64/343320164.db2.gz LAFRJAKPEUZPNV-SNVBAGLBSA-N 1 1 193.246 1.691 10 30 ADEEMO C=CC[N@@H+]1CCCC[C@@H]1C=O 54237998 343320223 /nfs/dbraw/zinc/32/02/23/343320223.db2.gz BPSWVEISMWGSQG-SECBINFHSA-N 1 1 153.225 1.226 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCCC[C@@H]1C=O 54237798 343320258 /nfs/dbraw/zinc/32/02/58/343320258.db2.gz TWWMCIUAFLPKRX-VHSXEESVSA-N 1 1 167.252 1.614 10 30 ADEEMO O=C[C@@H]1CCCC[N@H+]1C[C@@H]1CCOC1 54237818 343320321 /nfs/dbraw/zinc/32/03/21/343320321.db2.gz NWSXZDZMJHHUDD-QWRGUYRKSA-N 1 1 197.278 1.076 10 30 ADEEMO CCC[N@H+]1CCCC[C@H]1C=O 54237281 343320345 /nfs/dbraw/zinc/32/03/45/343320345.db2.gz SLALLGNJHXIWML-VIFPVBQESA-N 1 1 155.241 1.450 10 30 ADEEMO O=C[C@H]1CCC[N@@H+](Cc2ccco2)C1 54236842 343320360 /nfs/dbraw/zinc/32/03/60/343320360.db2.gz LAFRJAKPEUZPNV-JTQLQIEISA-N 1 1 193.246 1.691 10 30 ADEEMO CC#CC[N@@H+]1CCCC[C@@H]1C=O 54237782 343320386 /nfs/dbraw/zinc/32/03/86/343320386.db2.gz SCZPLDJAGQDFOH-SNVBAGLBSA-N 1 1 165.236 1.063 10 30 ADEEMO CC#CC[N@H+]1CCCC[C@@H]1C=O 54237782 343320387 /nfs/dbraw/zinc/32/03/87/343320387.db2.gz SCZPLDJAGQDFOH-SNVBAGLBSA-N 1 1 165.236 1.063 10 30 ADEEMO CCC[N@H+]1CCCC[C@@H]1C=O 54237280 343320415 /nfs/dbraw/zinc/32/04/15/343320415.db2.gz SLALLGNJHXIWML-SECBINFHSA-N 1 1 155.241 1.450 10 30 ADEEMO CC(C)=CC[N@H+]1CCC[C@H](C=O)C1 54219191 343320425 /nfs/dbraw/zinc/32/04/25/343320425.db2.gz HHWUFTZRJJLGNQ-NSHDSACASA-N 1 1 181.279 1.864 10 30 ADEEMO C=C(Cl)C[N@@H+]1CCC[C@@H](C=O)C1 54219201 343320443 /nfs/dbraw/zinc/32/04/43/343320443.db2.gz SDEJHUUMAATISH-SECBINFHSA-N 1 1 187.670 1.650 10 30 ADEEMO C=C(Cl)C[N@H+]1CCC[C@@H](C=O)C1 54219201 343320446 /nfs/dbraw/zinc/32/04/46/343320446.db2.gz SDEJHUUMAATISH-SECBINFHSA-N 1 1 187.670 1.650 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCCC[C@@H]1C=O 54237799 343320471 /nfs/dbraw/zinc/32/04/71/343320471.db2.gz TWWMCIUAFLPKRX-NXEZZACHSA-N 1 1 167.252 1.614 10 30 ADEEMO C=C(C)C[N@H+]1CCC[C@H](C=O)C1 54219188 343320511 /nfs/dbraw/zinc/32/05/11/343320511.db2.gz RHDKXZNGRRNHFH-JTQLQIEISA-N 1 1 167.252 1.473 10 30 ADEEMO C=C(C)C[N@H+]1CCC[C@@H](C=O)C1 54219189 343320518 /nfs/dbraw/zinc/32/05/18/343320518.db2.gz RHDKXZNGRRNHFH-SNVBAGLBSA-N 1 1 167.252 1.473 10 30 ADEEMO CCC[N@H+]1CCC[C@@H](C=O)C1 54217885 343320581 /nfs/dbraw/zinc/32/05/81/343320581.db2.gz IMKZBMQTDROKCX-SECBINFHSA-N 1 1 155.241 1.307 10 30 ADEEMO C=C(C)C[N@H+]1CCCC[C@H]1C=O 54238003 343320584 /nfs/dbraw/zinc/32/05/84/343320584.db2.gz ODDGBCYWNRUXPJ-JTQLQIEISA-N 1 1 167.252 1.616 10 30 ADEEMO O=C[C@@H]1CCC[N@H+](C/C=C/Cl)C1 54219178 343320590 /nfs/dbraw/zinc/32/05/90/343320590.db2.gz SBDFBPNZBOCCSB-HDMKULJXSA-N 1 1 187.670 1.650 10 30 ADEEMO C=CC[N@@H+]1CCCC[C@H]1C=O 54237999 343320607 /nfs/dbraw/zinc/32/06/07/343320607.db2.gz BPSWVEISMWGSQG-VIFPVBQESA-N 1 1 153.225 1.226 10 30 ADEEMO C=CC[N@H+]1CCCC[C@H]1C=O 54237999 343320609 /nfs/dbraw/zinc/32/06/09/343320609.db2.gz BPSWVEISMWGSQG-VIFPVBQESA-N 1 1 153.225 1.226 10 30 ADEEMO CC#CC[N@@H+]1CCCC[C@H]1C=O 54237783 343320612 /nfs/dbraw/zinc/32/06/12/343320612.db2.gz SCZPLDJAGQDFOH-JTQLQIEISA-N 1 1 165.236 1.063 10 30 ADEEMO CC#CC[N@H+]1CCCC[C@H]1C=O 54237783 343320613 /nfs/dbraw/zinc/32/06/13/343320613.db2.gz SCZPLDJAGQDFOH-JTQLQIEISA-N 1 1 165.236 1.063 10 30 ADEEMO C=C(C)C[N@H+]1CCCC[C@@H]1C=O 54238002 343320622 /nfs/dbraw/zinc/32/06/22/343320622.db2.gz ODDGBCYWNRUXPJ-SNVBAGLBSA-N 1 1 167.252 1.616 10 30 ADEEMO O=C[C@H]1CCC[N@H+](C2CCCC2)C1 54219016 343320628 /nfs/dbraw/zinc/32/06/28/343320628.db2.gz WLERSAWMKHBZQC-JTQLQIEISA-N 1 1 181.279 1.840 10 30 ADEEMO O=C[C@@H]1CCCC[N@H+]1C1CCCC1 54237903 343320630 /nfs/dbraw/zinc/32/06/30/343320630.db2.gz PSUHSKAFJWVYPL-NSHDSACASA-N 1 1 181.279 1.982 10 30 ADEEMO C=CC[N@H+]1[C@H]2CC[C@@H]1CC(=O)C2 54603295 343327134 /nfs/dbraw/zinc/32/71/34/343327134.db2.gz NNHFTFHUHOLHDK-DTORHVGOSA-N 1 1 165.236 1.368 10 30 ADEEMO C#CC[NH2+][C@H]1CCCC[C@H]1C#N 54822714 343329088 /nfs/dbraw/zinc/32/90/88/343329088.db2.gz DUJRUAMKSIUEHP-UWVGGRQHSA-N 1 1 162.236 1.292 10 30 ADEEMO C#CC[NH2+][C@H]1CCCCC[C@@H]1C#N 54822716 343329118 /nfs/dbraw/zinc/32/91/18/343329118.db2.gz WQTAVXDMXSHBJR-MNOVXSKESA-N 1 1 176.263 1.682 10 30 ADEEMO C#CC[NH2+][C@H]1CCCC[C@@H]1C#N 54822712 343329183 /nfs/dbraw/zinc/32/91/83/343329183.db2.gz DUJRUAMKSIUEHP-ZJUUUORDSA-N 1 1 162.236 1.292 10 30 ADEEMO C[N@@H+]1Cc2ccc(C#N)cc2C1 58011943 343338330 /nfs/dbraw/zinc/33/83/30/343338330.db2.gz LRTZJQXKCNLSGJ-UHFFFAOYSA-N 1 1 158.204 1.504 10 30 ADEEMO C[N@H+]1Cc2ccc(C#N)cc2C1 58011943 343338333 /nfs/dbraw/zinc/33/83/33/343338333.db2.gz LRTZJQXKCNLSGJ-UHFFFAOYSA-N 1 1 158.204 1.504 10 30 ADEEMO CC(C)NC(CC(F)(F)F)=[NH+]N 58565047 343340742 /nfs/dbraw/zinc/34/07/42/343340742.db2.gz UELZOKOEUFXNTM-UHFFFAOYSA-N 1 1 183.177 1.209 10 30 ADEEMO C[N@H+]1CCC[C@H]1CCS 59444974 343344768 /nfs/dbraw/zinc/34/47/68/343344768.db2.gz XRIWJLIEXIZRFO-ZETCQYMHSA-N 1 1 145.271 1.401 10 30 ADEEMO C[N@H+]1CCC[C@@H]1CCS 59444973 343344784 /nfs/dbraw/zinc/34/47/84/343344784.db2.gz XRIWJLIEXIZRFO-SSDOTTSWSA-N 1 1 145.271 1.401 10 30 ADEEMO COCCC[N@@H+](C)CCCC#N 59487513 343345048 /nfs/dbraw/zinc/34/50/48/343345048.db2.gz IEEGJKXRSUXVIY-UHFFFAOYSA-N 1 1 170.256 1.258 10 30 ADEEMO C[C@@H]1C[N@@H+](CCS)CCS1 59563550 343345796 /nfs/dbraw/zinc/34/57/96/343345796.db2.gz IVVDDLCBNOODFN-SSDOTTSWSA-N 1 1 177.338 1.354 10 30 ADEEMO C[C@@H](CC#N)[N@@H+]1CCCOCC1 59950741 343349129 /nfs/dbraw/zinc/34/91/29/343349129.db2.gz IOJJWWJLDSUCSM-VIFPVBQESA-N 1 1 168.240 1.011 10 30 ADEEMO C[C@@H](CC#N)[N@H+]1CCCOCC1 59950741 343349130 /nfs/dbraw/zinc/34/91/30/343349130.db2.gz IOJJWWJLDSUCSM-VIFPVBQESA-N 1 1 168.240 1.011 10 30 ADEEMO C[C@H](CC#N)[N@@H+]1CCCOCC1 59950743 343349294 /nfs/dbraw/zinc/34/92/94/343349294.db2.gz IOJJWWJLDSUCSM-SECBINFHSA-N 1 1 168.240 1.011 10 30 ADEEMO C[C@H](CC#N)[N@H+]1CCCOCC1 59950743 343349295 /nfs/dbraw/zinc/34/92/95/343349295.db2.gz IOJJWWJLDSUCSM-SECBINFHSA-N 1 1 168.240 1.011 10 30 ADEEMO Cc1[nH+]ccn1-c1ccnc(C#N)c1 60393374 343353806 /nfs/dbraw/zinc/35/38/06/343353806.db2.gz TXEPVKIQNFIVNW-UHFFFAOYSA-N 1 1 184.202 1.447 10 30 ADEEMO C[C@H](N/C(N)=[NH+]/O)c1ccsc1 61374426 343356257 /nfs/dbraw/zinc/35/62/57/343356257.db2.gz BHDYKHUGLNUGMB-YFKPBYRVSA-N 1 1 185.252 1.103 10 30 ADEEMO C[C@@H](N/C(N)=[NH+]/O)c1ccsc1 61374435 343356284 /nfs/dbraw/zinc/35/62/84/343356284.db2.gz BHDYKHUGLNUGMB-RXMQYKEDSA-N 1 1 185.252 1.103 10 30 ADEEMO C#CC[N@H+](C)CC1CCC1 61481348 343356866 /nfs/dbraw/zinc/35/68/66/343356866.db2.gz GTMBDSAPBKBIHB-UHFFFAOYSA-N 1 1 137.226 1.352 10 30 ADEEMO N#CCCCC[N@H+]1CCCOCC1 61559663 343357374 /nfs/dbraw/zinc/35/73/74/343357374.db2.gz FQDNGTFOWKJQCC-UHFFFAOYSA-N 1 1 182.267 1.403 10 30 ADEEMO COCCC[N@@H+](C)CCCCC#N 61559658 343357443 /nfs/dbraw/zinc/35/74/43/343357443.db2.gz FUTAFXQGABLARE-UHFFFAOYSA-N 1 1 184.283 1.649 10 30 ADEEMO CC(C)[N@H+](C)Cc1cccnc1C#N 61664233 343358321 /nfs/dbraw/zinc/35/83/21/343358321.db2.gz IITBWDGZRDWPMS-UHFFFAOYSA-N 1 1 189.262 1.793 10 30 ADEEMO CC(C)[N@@H+](C)Cc1cccnc1C#N 61664233 343358322 /nfs/dbraw/zinc/35/83/22/343358322.db2.gz IITBWDGZRDWPMS-UHFFFAOYSA-N 1 1 189.262 1.793 10 30 ADEEMO N#C[C@@H]1CCCC[C@H]1[N@H+]1CC[C@H](O)C1 61710412 343362308 /nfs/dbraw/zinc/36/23/08/343362308.db2.gz HLRMVICGEGRKMP-GARJFASQSA-N 1 1 194.278 1.135 10 30 ADEEMO N#C[C@@H]1CCCC[C@@H]1[N@H+]1CC[C@H](O)C1 61710411 343362471 /nfs/dbraw/zinc/36/24/71/343362471.db2.gz HLRMVICGEGRKMP-DCAQKATOSA-N 1 1 194.278 1.135 10 30 ADEEMO C[C@H](C#N)[N@@H+]1CCCC1(C)C 63067160 343399792 /nfs/dbraw/zinc/39/97/92/343399792.db2.gz BCJJQHMTSNWUQP-MRVPVSSYSA-N 1 1 152.241 1.773 10 30 ADEEMO C[C@H](C#N)[N@H+]1CCCC1(C)C 63067160 343399793 /nfs/dbraw/zinc/39/97/93/343399793.db2.gz BCJJQHMTSNWUQP-MRVPVSSYSA-N 1 1 152.241 1.773 10 30 ADEEMO CC1(C)CC[NH+](C[C@@](C)(N)C#N)CC1 61821652 343364323 /nfs/dbraw/zinc/36/43/23/343364323.db2.gz XUQRBGFOTYVWRF-NSHDSACASA-N 1 1 195.310 1.349 10 30 ADEEMO CC1(C)CC[NH+](C[C@](C)(N)C#N)CC1 61821651 343364575 /nfs/dbraw/zinc/36/45/75/343364575.db2.gz XUQRBGFOTYVWRF-LLVKDONJSA-N 1 1 195.310 1.349 10 30 ADEEMO C[C@@H](CC#N)[N@@H+]1CCCO[C@H](C)C1 61918426 343366962 /nfs/dbraw/zinc/36/69/62/343366962.db2.gz FAEGYSODKYZPNI-VHSXEESVSA-N 1 1 182.267 1.399 10 30 ADEEMO C[C@@H](CC#N)[N@H+]1CCCO[C@H](C)C1 61918426 343366965 /nfs/dbraw/zinc/36/69/65/343366965.db2.gz FAEGYSODKYZPNI-VHSXEESVSA-N 1 1 182.267 1.399 10 30 ADEEMO C[C@H]1C[N@H+](C[C@@H](C)C#N)CCCO1 61918373 343366978 /nfs/dbraw/zinc/36/69/78/343366978.db2.gz APWKDBSITRTQDF-UWVGGRQHSA-N 1 1 182.267 1.257 10 30 ADEEMO C[C@H]1C[N@@H+](C[C@@H](C)C#N)CCCO1 61918373 343366979 /nfs/dbraw/zinc/36/69/79/343366979.db2.gz APWKDBSITRTQDF-UWVGGRQHSA-N 1 1 182.267 1.257 10 30 ADEEMO CC[C@@H](CC#N)[N@H+]1CCCO[C@H](C)C1 61918374 343367031 /nfs/dbraw/zinc/36/70/31/343367031.db2.gz ASSSPVMDKKQXLK-MNOVXSKESA-N 1 1 196.294 1.789 10 30 ADEEMO CC[C@H](CC#N)[N@@H+]1CCCOCC1 61918444 343367065 /nfs/dbraw/zinc/36/70/65/343367065.db2.gz BYDSTNRFRAVQCU-SNVBAGLBSA-N 1 1 182.267 1.401 10 30 ADEEMO CC[C@H](CC#N)[N@H+]1CCCOCC1 61918444 343367066 /nfs/dbraw/zinc/36/70/66/343367066.db2.gz BYDSTNRFRAVQCU-SNVBAGLBSA-N 1 1 182.267 1.401 10 30 ADEEMO CC[C@@H](CC#N)[N@@H+]1CCCOCC1 61918443 343367094 /nfs/dbraw/zinc/36/70/94/343367094.db2.gz BYDSTNRFRAVQCU-JTQLQIEISA-N 1 1 182.267 1.401 10 30 ADEEMO CC[C@@H](CC#N)[N@H+]1CCCOCC1 61918443 343367095 /nfs/dbraw/zinc/36/70/95/343367095.db2.gz BYDSTNRFRAVQCU-JTQLQIEISA-N 1 1 182.267 1.401 10 30 ADEEMO CC[C@H](CC#N)[N@H+]1CCCO[C@H](C)C1 61918375 343367357 /nfs/dbraw/zinc/36/73/57/343367357.db2.gz ASSSPVMDKKQXLK-GHMZBOCLSA-N 1 1 196.294 1.789 10 30 ADEEMO C[C@@H](C#N)C[N@@H+]1CCCO[C@H](C)C1 61918372 343367436 /nfs/dbraw/zinc/36/74/36/343367436.db2.gz APWKDBSITRTQDF-VHSXEESVSA-N 1 1 182.267 1.257 10 30 ADEEMO C[C@@H](C#N)C[N@H+]1CCCO[C@H](C)C1 61918372 343367437 /nfs/dbraw/zinc/36/74/37/343367437.db2.gz APWKDBSITRTQDF-VHSXEESVSA-N 1 1 182.267 1.257 10 30 ADEEMO C[C@H]1C[N@H+]([C@@H](C)CC#N)CCCO1 61918427 343367475 /nfs/dbraw/zinc/36/74/75/343367475.db2.gz FAEGYSODKYZPNI-UWVGGRQHSA-N 1 1 182.267 1.399 10 30 ADEEMO C[C@H]1C[N@@H+]([C@@H](C)CC#N)CCCO1 61918427 343367476 /nfs/dbraw/zinc/36/74/76/343367476.db2.gz FAEGYSODKYZPNI-UWVGGRQHSA-N 1 1 182.267 1.399 10 30 ADEEMO C[C@@H]1C[N@@H+](CC(C)(C)C=O)CCCO1 61933979 343367744 /nfs/dbraw/zinc/36/77/44/343367744.db2.gz DAASMFVYYDDAEE-SNVBAGLBSA-N 1 1 199.294 1.322 10 30 ADEEMO C[C@H]1C[N@@H+](CC(C)(C)C=O)CCCO1 61933980 343367749 /nfs/dbraw/zinc/36/77/49/343367749.db2.gz DAASMFVYYDDAEE-JTQLQIEISA-N 1 1 199.294 1.322 10 30 ADEEMO COCCC[N@@H+](C)[C@@H]1CCC[C@@H]1C#N 62031448 343370212 /nfs/dbraw/zinc/37/02/12/343370212.db2.gz QZGYWOZBJGGOSH-GHMZBOCLSA-N 1 1 196.294 1.647 10 30 ADEEMO C[C@H]1C[C@@H](C)C[N@@H+](CC[C@H](N)C#N)C1 62368389 343373710 /nfs/dbraw/zinc/37/37/10/343373710.db2.gz HGLHWHMTIUUIHV-AXFHLTTASA-N 1 1 195.310 1.205 10 30 ADEEMO C[C@@H]1CC[N@@H+](CC[C@H](N)C#N)[C@H](C)C1 62438825 343373816 /nfs/dbraw/zinc/37/38/16/343373816.db2.gz LMEPHRUKSRQBJR-MXWKQRLJSA-N 1 1 195.310 1.348 10 30 ADEEMO C[C@@H]1CCC[N@@H+](CC[C@H](N)C#N)[C@@H]1C 62438677 343373992 /nfs/dbraw/zinc/37/39/92/343373992.db2.gz RFTPUXFTJOOZSH-MXWKQRLJSA-N 1 1 195.310 1.348 10 30 ADEEMO C[C@H]1CCC[C@@H](C)[N@H+]1CC[C@H](N)C#N 62369297 343374055 /nfs/dbraw/zinc/37/40/55/343374055.db2.gz RGNDTICZFBTTRG-AXFHLTTASA-N 1 1 195.310 1.490 10 30 ADEEMO C[C@@H]1CCC[N@@H+](CCC=O)C1 62538161 343374250 /nfs/dbraw/zinc/37/42/50/343374250.db2.gz GTKVPGNQENNTMQ-SECBINFHSA-N 1 1 155.241 1.307 10 30 ADEEMO C[C@H]1CCCC[N@H+]1CCC=O 62538073 343374315 /nfs/dbraw/zinc/37/43/15/343374315.db2.gz DXOOUWGHNDOEAW-VIFPVBQESA-N 1 1 155.241 1.450 10 30 ADEEMO C[C@@H]1CCCC[N@H+]1CCC=O 62538067 343374319 /nfs/dbraw/zinc/37/43/19/343374319.db2.gz DXOOUWGHNDOEAW-SECBINFHSA-N 1 1 155.241 1.450 10 30 ADEEMO C[C@H]1CCC[N@@H+](CCC=O)C1 62538166 343374415 /nfs/dbraw/zinc/37/44/15/343374415.db2.gz GTKVPGNQENNTMQ-VIFPVBQESA-N 1 1 155.241 1.307 10 30 ADEEMO O=CCC[N@H+]1CCCSCC1 62541647 343374656 /nfs/dbraw/zinc/37/46/56/343374656.db2.gz FZFDKPGSCVJCMP-UHFFFAOYSA-N 1 1 173.281 1.014 10 30 ADEEMO O=CCC[NH+]1Cc2ccccc2C1 62541899 343374735 /nfs/dbraw/zinc/37/47/35/343374735.db2.gz IURPMZZXDXEISV-UHFFFAOYSA-N 1 1 175.231 1.591 10 30 ADEEMO Cc1[nH+]cn(CCC=O)c1C 62543067 343374744 /nfs/dbraw/zinc/37/47/44/343374744.db2.gz CZWYBXGNJKLXPD-UHFFFAOYSA-N 1 1 152.197 1.089 10 30 ADEEMO C[C@H]1CC[N@@H+](CCC=O)[C@H](C)C1 62541911 343374777 /nfs/dbraw/zinc/37/47/77/343374777.db2.gz KHBNBBRWOYRGQM-VHSXEESVSA-N 1 1 169.268 1.696 10 30 ADEEMO C[C@H]1C[N@@H+](CCC=O)CC(C)(C)O1 62540046 343374794 /nfs/dbraw/zinc/37/47/94/343374794.db2.gz XSKPHSCDKSCOJO-VIFPVBQESA-N 1 1 185.267 1.075 10 30 ADEEMO C[C@H]1CCC[N@H+]1CCC=O 62539048 343374821 /nfs/dbraw/zinc/37/48/21/343374821.db2.gz PBMFPNMUIGJNTC-QMMMGPOBSA-N 1 1 141.214 1.060 10 30 ADEEMO O=CCC[N@H+]1CCc2ccccc2C1 62538302 343374827 /nfs/dbraw/zinc/37/48/27/343374827.db2.gz AJOCWQDBJGMOAQ-UHFFFAOYSA-N 1 1 189.258 1.634 10 30 ADEEMO C[C@@H]1C[N@@H+](CCC=O)CC(C)(C)O1 62540043 343375004 /nfs/dbraw/zinc/37/50/04/343375004.db2.gz XSKPHSCDKSCOJO-SECBINFHSA-N 1 1 185.267 1.075 10 30 ADEEMO C[C@@H]1CC[N@@H+](CCC=O)[C@H](C)C1 62541909 343375014 /nfs/dbraw/zinc/37/50/14/343375014.db2.gz KHBNBBRWOYRGQM-NXEZZACHSA-N 1 1 169.268 1.696 10 30 ADEEMO C[C@@H]1CCC[N@H+]1CCC=O 62539045 343375016 /nfs/dbraw/zinc/37/50/16/343375016.db2.gz PBMFPNMUIGJNTC-MRVPVSSYSA-N 1 1 141.214 1.060 10 30 ADEEMO CC1(C)CC[C@H](C#N)[NH2+]1 62715172 343377760 /nfs/dbraw/zinc/37/77/60/343377760.db2.gz YTZMFHLIFAMMJI-ZCFIWIBFSA-N 1 1 124.187 1.041 10 30 ADEEMO C[C@H](C#N)N1CCC[N@H+]2CCC[C@@H]2C1 62940802 343386683 /nfs/dbraw/zinc/38/66/83/343386683.db2.gz RJEPWKANODBETM-GHMZBOCLSA-N 1 1 193.294 1.069 10 30 ADEEMO C[C@@H](C#N)N1CCC[N@H+]2CCC[C@@H]2C1 62940801 343386807 /nfs/dbraw/zinc/38/68/07/343386807.db2.gz RJEPWKANODBETM-WDEREUQCSA-N 1 1 193.294 1.069 10 30 ADEEMO CN(C)[C@@H]1CC[N@@H+](CCCCC#N)C1 62965663 343388771 /nfs/dbraw/zinc/38/87/71/343388771.db2.gz UXHRAEWLSZSSCM-LLVKDONJSA-N 1 1 195.310 1.316 10 30 ADEEMO C[NH+](C)[C@@H]1CCN(CCCCC#N)C1 62965663 343388775 /nfs/dbraw/zinc/38/87/75/343388775.db2.gz UXHRAEWLSZSSCM-LLVKDONJSA-N 1 1 195.310 1.316 10 30 ADEEMO CN(C)[C@H]1CC[N@@H+](CCCCC#N)C1 62965664 343388962 /nfs/dbraw/zinc/38/89/62/343388962.db2.gz UXHRAEWLSZSSCM-NSHDSACASA-N 1 1 195.310 1.316 10 30 ADEEMO C[NH+](C)[C@H]1CCN(CCCCC#N)C1 62965664 343388966 /nfs/dbraw/zinc/38/89/66/343388966.db2.gz UXHRAEWLSZSSCM-NSHDSACASA-N 1 1 195.310 1.316 10 30 ADEEMO CC1(C)CCC[N@H+]1C[C@@H]1CO1 63067132 343399515 /nfs/dbraw/zinc/39/95/15/343399515.db2.gz JLHMBRAGLUPYCJ-MRVPVSSYSA-N 1 1 155.241 1.260 10 30 ADEEMO CC1(C)CCC[N@H+]1C[C@H]1CO1 63067133 343399902 /nfs/dbraw/zinc/39/99/02/343399902.db2.gz JLHMBRAGLUPYCJ-QMMMGPOBSA-N 1 1 155.241 1.260 10 30 ADEEMO C[C@@H](C#N)[N@@H+]1CCCC1(C)C 63067159 343399989 /nfs/dbraw/zinc/39/99/89/343399989.db2.gz BCJJQHMTSNWUQP-QMMMGPOBSA-N 1 1 152.241 1.773 10 30 ADEEMO C[C@@H](C#N)[N@H+]1CCCC1(C)C 63067159 343399992 /nfs/dbraw/zinc/39/99/92/343399992.db2.gz BCJJQHMTSNWUQP-QMMMGPOBSA-N 1 1 152.241 1.773 10 30 ADEEMO C[C@@H](C/C(N)=N/O)[N@H+]1CCCC1(C)C 63067367 343400193 /nfs/dbraw/zinc/40/01/93/343400193.db2.gz AAQKQYQNAKWPDR-QMMMGPOBSA-N 1 1 199.298 1.386 10 30 ADEEMO CC[C@@H](/C(N)=N/O)[N@H+]1CCCC1(C)C 63067376 343400199 /nfs/dbraw/zinc/40/01/99/343400199.db2.gz GVAAODHQUVGEFG-QMMMGPOBSA-N 1 1 199.298 1.386 10 30 ADEEMO CC1(C)CCC[N@H+]1CCC=O 63071804 343400228 /nfs/dbraw/zinc/40/02/28/343400228.db2.gz GFTKMVSKLOCSGD-UHFFFAOYSA-N 1 1 155.241 1.450 10 30 ADEEMO CC1(C)CCC[N@@H+]1C[C@](C)(N)C#N 63072493 343400235 /nfs/dbraw/zinc/40/02/35/343400235.db2.gz GSMMIIOKPILVEP-SNVBAGLBSA-N 1 1 181.283 1.102 10 30 ADEEMO CC[C@H](/C(N)=N/O)[N@H+]1CCCC1(C)C 63067377 343400241 /nfs/dbraw/zinc/40/02/41/343400241.db2.gz GVAAODHQUVGEFG-MRVPVSSYSA-N 1 1 199.298 1.386 10 30 ADEEMO CC1(C)CCC[N@H+]1CC=O 63071805 343400347 /nfs/dbraw/zinc/40/03/47/343400347.db2.gz UAGIWLNLCMEBLA-UHFFFAOYSA-N 1 1 141.214 1.060 10 30 ADEEMO CC1(C)CCC[N@H+]1CC[C@@H](N)C#N 63072481 343400503 /nfs/dbraw/zinc/40/05/03/343400503.db2.gz CWSFVZAFDRBBBE-SECBINFHSA-N 1 1 181.283 1.102 10 30 ADEEMO CC1(C)CCC[N@H+]1CC[C@H](N)C#N 63072480 343400545 /nfs/dbraw/zinc/40/05/45/343400545.db2.gz CWSFVZAFDRBBBE-VIFPVBQESA-N 1 1 181.283 1.102 10 30 ADEEMO CC1(C)CCC[N@@H+]1C[C@@](C)(N)C#N 63072494 343400608 /nfs/dbraw/zinc/40/06/08/343400608.db2.gz GSMMIIOKPILVEP-JTQLQIEISA-N 1 1 181.283 1.102 10 30 ADEEMO C[C@H](C/C(N)=N/O)[N@H+]1CCCC1(C)C 63067368 343400635 /nfs/dbraw/zinc/40/06/35/343400635.db2.gz AAQKQYQNAKWPDR-MRVPVSSYSA-N 1 1 199.298 1.386 10 30 ADEEMO C[C@H](CC#N)[N@@H+](C)[C@@H]1CCCC[C@@H]1O 63087634 343401497 /nfs/dbraw/zinc/40/14/97/343401497.db2.gz OTSSVRKEPARWQZ-MXWKQRLJSA-N 1 1 196.294 1.524 10 30 ADEEMO C[C@H](CC#N)[N@@H+](C)CCCCC#N 63086271 343401598 /nfs/dbraw/zinc/40/15/98/343401598.db2.gz COFCKPCTDYEEKL-SNVBAGLBSA-N 1 1 179.267 1.914 10 30 ADEEMO C[C@H](CC#N)N(C)c1cc[nH+]cc1 63096205 343402417 /nfs/dbraw/zinc/40/24/17/343402417.db2.gz IADNEBURUALGNJ-SECBINFHSA-N 1 1 175.235 1.820 10 30 ADEEMO C[C@@H](CC#N)N(C)c1cc[nH+]cc1 63096203 343402484 /nfs/dbraw/zinc/40/24/84/343402484.db2.gz IADNEBURUALGNJ-VIFPVBQESA-N 1 1 175.235 1.820 10 30 ADEEMO C#CCCN1CCCC[C@@H]1[C@@H](C)[NH3+] 63195757 343405251 /nfs/dbraw/zinc/40/52/51/343405251.db2.gz KISMRJGLNLUKGJ-GHMZBOCLSA-N 1 1 180.295 1.211 10 30 ADEEMO C#CCCN1CCCC[C@H]1[C@@H](C)[NH3+] 63195755 343405482 /nfs/dbraw/zinc/40/54/82/343405482.db2.gz KISMRJGLNLUKGJ-MNOVXSKESA-N 1 1 180.295 1.211 10 30 ADEEMO C#CCCN1CCCC[C@H]1[C@H](C)[NH3+] 63195754 343405522 /nfs/dbraw/zinc/40/55/22/343405522.db2.gz KISMRJGLNLUKGJ-QWRGUYRKSA-N 1 1 180.295 1.211 10 30 ADEEMO C#CCCN1CCCC[C@@H]1[C@H](C)[NH3+] 63195756 343405731 /nfs/dbraw/zinc/40/57/31/343405731.db2.gz KISMRJGLNLUKGJ-WDEREUQCSA-N 1 1 180.295 1.211 10 30 ADEEMO Cc1[nH+]ccn1Cc1ccnc(C#N)c1 68760740 343412769 /nfs/dbraw/zinc/41/27/69/343412769.db2.gz IDCPRBCQHKRYEO-UHFFFAOYSA-N 1 1 198.229 1.507 10 30 ADEEMO C[C@H]1CCC[N@H+]1C[C@@](N)(C#N)C1CC1 68897352 343413848 /nfs/dbraw/zinc/41/38/48/343413848.db2.gz JSIPXLWUXBWLIN-ONGXEEELSA-N 1 1 193.294 1.102 10 30 ADEEMO C[C@@H]1CCC[N@H+]1C[C@@](N)(C#N)C1CC1 68897349 343413927 /nfs/dbraw/zinc/41/39/27/343413927.db2.gz JSIPXLWUXBWLIN-KOLCDFICSA-N 1 1 193.294 1.102 10 30 ADEEMO C=C(C)C[NH+]1[C@@H](C)CNC[C@@H]1C 68915000 343415140 /nfs/dbraw/zinc/41/51/40/343415140.db2.gz XWDQVYRKJRPYGS-UWVGGRQHSA-N 1 1 168.284 1.245 10 30 ADEEMO C=C(C)C[N@@H+]1[C@@H](C)CNC[C@H]1C 68914994 343415161 /nfs/dbraw/zinc/41/51/61/343415161.db2.gz XWDQVYRKJRPYGS-AOOOYVTPSA-N 1 1 168.284 1.245 10 30 ADEEMO C=C(C)C[N@H+]1[C@@H](C)CNC[C@H]1C 68914994 343415162 /nfs/dbraw/zinc/41/51/62/343415162.db2.gz XWDQVYRKJRPYGS-AOOOYVTPSA-N 1 1 168.284 1.245 10 30 ADEEMO C=C(C)C[NH+]1[C@H](C)CNC[C@H]1C 68915003 343415180 /nfs/dbraw/zinc/41/51/80/343415180.db2.gz XWDQVYRKJRPYGS-NXEZZACHSA-N 1 1 168.284 1.245 10 30 ADEEMO CC(C)[N@@H+](CCC#N)C1CCOCC1 68955315 343417316 /nfs/dbraw/zinc/41/73/16/343417316.db2.gz VNLVDANIBTWODC-UHFFFAOYSA-N 1 1 196.294 1.789 10 30 ADEEMO O=C[C@@H]1CCCC[N@H+]1C1CCOCC1 68958564 343417935 /nfs/dbraw/zinc/41/79/35/343417935.db2.gz FRXRQJOXSFBYRX-NSHDSACASA-N 1 1 197.278 1.219 10 30 ADEEMO O=C[C@H]1CCCC[N@H+]1C1CCOCC1 68958570 343417949 /nfs/dbraw/zinc/41/79/49/343417949.db2.gz FRXRQJOXSFBYRX-LLVKDONJSA-N 1 1 197.278 1.219 10 30 ADEEMO N#C[C@](N)(C[NH+]1CCCCC1)C1CC1 69076659 343425115 /nfs/dbraw/zinc/42/51/15/343425115.db2.gz FJWZDETUADHNIG-NSHDSACASA-N 1 1 193.294 1.103 10 30 ADEEMO N#C[C@@](N)(C[NH+]1CCCCC1)C1CC1 69076662 343425273 /nfs/dbraw/zinc/42/52/73/343425273.db2.gz FJWZDETUADHNIG-LLVKDONJSA-N 1 1 193.294 1.103 10 30 ADEEMO C[C@H]1CSCC[N@H+]1CCC=O 69761229 343439757 /nfs/dbraw/zinc/43/97/57/343439757.db2.gz BCYJTFWZYGICHI-QMMMGPOBSA-N 1 1 173.281 1.013 10 30 ADEEMO CC[N@H+](C[C@@H](C)C#N)[C@@H]1CCOC1 69622542 343426801 /nfs/dbraw/zinc/42/68/01/343426801.db2.gz GEIXHZPVOPSKFR-VHSXEESVSA-N 1 1 182.267 1.257 10 30 ADEEMO CC[N@@H+](C[C@@H](C)C#N)[C@@H]1CCOC1 69622542 343426803 /nfs/dbraw/zinc/42/68/03/343426803.db2.gz GEIXHZPVOPSKFR-VHSXEESVSA-N 1 1 182.267 1.257 10 30 ADEEMO CC(C)[N@H+](CCC#N)[C@@H]1CCOC1 69622554 343426854 /nfs/dbraw/zinc/42/68/54/343426854.db2.gz FSFYSUOALILTEF-SNVBAGLBSA-N 1 1 182.267 1.399 10 30 ADEEMO CC[N@H+](C[C@H](C)C#N)[C@@H]1CCOC1 69622545 343426868 /nfs/dbraw/zinc/42/68/68/343426868.db2.gz GEIXHZPVOPSKFR-NXEZZACHSA-N 1 1 182.267 1.257 10 30 ADEEMO CC[N@@H+](C[C@H](C)C#N)[C@@H]1CCOC1 69622545 343426870 /nfs/dbraw/zinc/42/68/70/343426870.db2.gz GEIXHZPVOPSKFR-NXEZZACHSA-N 1 1 182.267 1.257 10 30 ADEEMO CC(C)[N@H+](CCC#N)[C@H]1CCOC1 69622557 343427074 /nfs/dbraw/zinc/42/70/74/343427074.db2.gz FSFYSUOALILTEF-JTQLQIEISA-N 1 1 182.267 1.399 10 30 ADEEMO CC(C)[N@@H+](CCC#N)[C@H]1CCOC1 69622557 343427076 /nfs/dbraw/zinc/42/70/76/343427076.db2.gz FSFYSUOALILTEF-JTQLQIEISA-N 1 1 182.267 1.399 10 30 ADEEMO CC#CCN1CCC[C@H]([C@@H](C)[NH3+])C1 69626954 343427517 /nfs/dbraw/zinc/42/75/17/343427517.db2.gz HRDFWODAFDORBP-MNOVXSKESA-N 1 1 180.295 1.069 10 30 ADEEMO CC#CCN1CCC[C@@H]([C@@H](C)[NH3+])C1 69626955 343427732 /nfs/dbraw/zinc/42/77/32/343427732.db2.gz HRDFWODAFDORBP-GHMZBOCLSA-N 1 1 180.295 1.069 10 30 ADEEMO C=C[C@H](C)[N@@H+]1C[C@H](C)N[C@H](C)C1 69629897 343427858 /nfs/dbraw/zinc/42/78/58/343427858.db2.gz IPEOFJOUOLVKBP-AEJSXWLSSA-N 1 1 168.284 1.243 10 30 ADEEMO C=C[C@H](C)[N@H+]1C[C@H](C)N[C@H](C)C1 69629897 343427859 /nfs/dbraw/zinc/42/78/59/343427859.db2.gz IPEOFJOUOLVKBP-AEJSXWLSSA-N 1 1 168.284 1.243 10 30 ADEEMO C=C(C)C[NH+]1C[C@H](C)N[C@@H](C)C1 69629602 343427916 /nfs/dbraw/zinc/42/79/16/343427916.db2.gz UNXPECYXZJJGKC-UWVGGRQHSA-N 1 1 168.284 1.245 10 30 ADEEMO C=C(C)C[NH+]1C[C@@H](C)N[C@H](C)C1 69629603 343427984 /nfs/dbraw/zinc/42/79/84/343427984.db2.gz UNXPECYXZJJGKC-NXEZZACHSA-N 1 1 168.284 1.245 10 30 ADEEMO C=C(C)C[N@H+]1C[C@H](C)N[C@H](C)C1 69629600 343428171 /nfs/dbraw/zinc/42/81/71/343428171.db2.gz UNXPECYXZJJGKC-AOOOYVTPSA-N 1 1 168.284 1.245 10 30 ADEEMO C=C(C)C[N@@H+]1C[C@H](C)N[C@H](C)C1 69629600 343428172 /nfs/dbraw/zinc/42/81/72/343428172.db2.gz UNXPECYXZJJGKC-AOOOYVTPSA-N 1 1 168.284 1.245 10 30 ADEEMO C=C[C@H](C)[NH+]1C[C@H](C)N[C@@H](C)C1 69629901 343428340 /nfs/dbraw/zinc/42/83/40/343428340.db2.gz IPEOFJOUOLVKBP-GUBZILKMSA-N 1 1 168.284 1.243 10 30 ADEEMO C#CC(C)(C)[NH2+]Cc1nccs1 69679797 343432858 /nfs/dbraw/zinc/43/28/58/343432858.db2.gz NUQHFFPCPSGZCX-UHFFFAOYSA-N 1 1 180.276 1.645 10 30 ADEEMO C#CC(C)(C)[NH2+][C@H]1CCC[C@H]1C#N 69681311 343433178 /nfs/dbraw/zinc/43/31/78/343433178.db2.gz IAHBNSROMPYOSU-UWVGGRQHSA-N 1 1 176.263 1.680 10 30 ADEEMO C#CC(C)(C)[N@H+]1CCC(=O)C[C@H]1C 69682012 343433214 /nfs/dbraw/zinc/43/32/14/343433214.db2.gz NRVDSISPFDNSCU-SECBINFHSA-N 1 1 179.263 1.452 10 30 ADEEMO C#CC(C)(C)[N@@H+]1CCC(=O)C[C@H]1C 69682012 343433216 /nfs/dbraw/zinc/43/32/16/343433216.db2.gz NRVDSISPFDNSCU-SECBINFHSA-N 1 1 179.263 1.452 10 30 ADEEMO C#CC(C)(C)[NH2+]C[C@H](C)C#N 69681702 343433244 /nfs/dbraw/zinc/43/32/44/343433244.db2.gz SYSNETCNLPPAOA-MRVPVSSYSA-N 1 1 150.225 1.147 10 30 ADEEMO C#CC(C)(C)[NH2+][C@@H]1CCC[C@@H]1C#N 69681299 343433263 /nfs/dbraw/zinc/43/32/63/343433263.db2.gz IAHBNSROMPYOSU-NXEZZACHSA-N 1 1 176.263 1.680 10 30 ADEEMO C#CC(C)(C)[NH2+][C@@H]1CCC[C@H]1C#N 69681308 343433432 /nfs/dbraw/zinc/43/34/32/343433432.db2.gz IAHBNSROMPYOSU-VHSXEESVSA-N 1 1 176.263 1.680 10 30 ADEEMO C#CC(C)(C)[N@H+]1CCC(=O)C[C@@H]1C 69682016 343433447 /nfs/dbraw/zinc/43/34/47/343433447.db2.gz NRVDSISPFDNSCU-VIFPVBQESA-N 1 1 179.263 1.452 10 30 ADEEMO C#CC(C)(C)[N@@H+]1CCC(=O)C[C@@H]1C 69682016 343433448 /nfs/dbraw/zinc/43/34/48/343433448.db2.gz NRVDSISPFDNSCU-VIFPVBQESA-N 1 1 179.263 1.452 10 30 ADEEMO C#CC(C)(C)[NH2+]C[C@@H](C)C#N 69681705 343433468 /nfs/dbraw/zinc/43/34/68/343433468.db2.gz SYSNETCNLPPAOA-QMMMGPOBSA-N 1 1 150.225 1.147 10 30 ADEEMO C#CC(C)(C)Nc1cc(C)[nH+]c(C)n1 69682208 343433676 /nfs/dbraw/zinc/43/36/76/343433676.db2.gz KPGQQKUEOLAUSR-UHFFFAOYSA-N 1 1 189.262 1.917 10 30 ADEEMO CC#CCN1CCCC[C@@H]1CC[NH3+] 69721135 343436822 /nfs/dbraw/zinc/43/68/22/343436822.db2.gz YDJAHONVUIGLIN-LLVKDONJSA-N 1 1 180.295 1.213 10 30 ADEEMO C#CCC[N@@H+]1[C@H](CN)CCC[C@H]1C 69722771 343436832 /nfs/dbraw/zinc/43/68/32/343436832.db2.gz NLZIHINBDDMLAZ-MNOVXSKESA-N 1 1 180.295 1.211 10 30 ADEEMO C#CCCN1[C@H](C[NH3+])CCC[C@H]1C 69722771 343436835 /nfs/dbraw/zinc/43/68/35/343436835.db2.gz NLZIHINBDDMLAZ-MNOVXSKESA-N 1 1 180.295 1.211 10 30 ADEEMO C#CCC[N@H+]1[C@@H](C)CCC[C@@H]1CN 69722769 343436950 /nfs/dbraw/zinc/43/69/50/343436950.db2.gz NLZIHINBDDMLAZ-WDEREUQCSA-N 1 1 180.295 1.211 10 30 ADEEMO C#CCCN1[C@@H](C)CCC[C@@H]1C[NH3+] 69722769 343436953 /nfs/dbraw/zinc/43/69/53/343436953.db2.gz NLZIHINBDDMLAZ-WDEREUQCSA-N 1 1 180.295 1.211 10 30 ADEEMO C#CCC[N@H+]1[C@@H](C)CCC[C@H]1CN 69722774 343437016 /nfs/dbraw/zinc/43/70/16/343437016.db2.gz NLZIHINBDDMLAZ-QWRGUYRKSA-N 1 1 180.295 1.211 10 30 ADEEMO C#CCCN1[C@@H](C)CCC[C@H]1C[NH3+] 69722774 343437019 /nfs/dbraw/zinc/43/70/19/343437019.db2.gz NLZIHINBDDMLAZ-QWRGUYRKSA-N 1 1 180.295 1.211 10 30 ADEEMO C#CCC[N@H+]1[C@H](C)CCC[C@@H]1CN 69722767 343437043 /nfs/dbraw/zinc/43/70/43/343437043.db2.gz NLZIHINBDDMLAZ-GHMZBOCLSA-N 1 1 180.295 1.211 10 30 ADEEMO C#CCCN1[C@H](C)CCC[C@@H]1C[NH3+] 69722767 343437046 /nfs/dbraw/zinc/43/70/46/343437046.db2.gz NLZIHINBDDMLAZ-GHMZBOCLSA-N 1 1 180.295 1.211 10 30 ADEEMO CC#CCN1CCCC[C@H]1CC[NH3+] 69721137 343437207 /nfs/dbraw/zinc/43/72/07/343437207.db2.gz YDJAHONVUIGLIN-NSHDSACASA-N 1 1 180.295 1.213 10 30 ADEEMO C=C[C@H](C)[N@H+]1[C@@H](C)CCC[C@@H]1CN 69723447 343437458 /nfs/dbraw/zinc/43/74/58/343437458.db2.gz PGGOFTKGYMRUAK-GARJFASQSA-N 1 1 182.311 1.763 10 30 ADEEMO C=C[C@H](C)N1[C@@H](C)CCC[C@@H]1C[NH3+] 69723447 343437461 /nfs/dbraw/zinc/43/74/61/343437461.db2.gz PGGOFTKGYMRUAK-GARJFASQSA-N 1 1 182.311 1.763 10 30 ADEEMO C=C(C)C[N@H+]1[C@@H](C)CCC[C@H]1CN 69723344 343437608 /nfs/dbraw/zinc/43/76/08/343437608.db2.gz TXLAYBNFANVUSF-QWRGUYRKSA-N 1 1 182.311 1.764 10 30 ADEEMO C=C(C)CN1[C@@H](C)CCC[C@H]1C[NH3+] 69723344 343437610 /nfs/dbraw/zinc/43/76/10/343437610.db2.gz TXLAYBNFANVUSF-QWRGUYRKSA-N 1 1 182.311 1.764 10 30 ADEEMO C=CC[N@@H+]1[C@H](C)CCC[C@@H]1CN 69723065 343437647 /nfs/dbraw/zinc/43/76/47/343437647.db2.gz RANZQADUEOSWFB-NXEZZACHSA-N 1 1 168.284 1.374 10 30 ADEEMO C=CC[N@H+]1[C@H](C)CCC[C@@H]1CN 69723065 343437650 /nfs/dbraw/zinc/43/76/50/343437650.db2.gz RANZQADUEOSWFB-NXEZZACHSA-N 1 1 168.284 1.374 10 30 ADEEMO C=CC[N@@H+]1[C@@H](C)CCC[C@H]1CN 69723075 343437661 /nfs/dbraw/zinc/43/76/61/343437661.db2.gz RANZQADUEOSWFB-UWVGGRQHSA-N 1 1 168.284 1.374 10 30 ADEEMO C=CC[N@H+]1[C@@H](C)CCC[C@H]1CN 69723075 343437665 /nfs/dbraw/zinc/43/76/65/343437665.db2.gz RANZQADUEOSWFB-UWVGGRQHSA-N 1 1 168.284 1.374 10 30 ADEEMO C=C(C)C[N@H+]1[C@H](C)CCC[C@@H]1CN 69723336 343437686 /nfs/dbraw/zinc/43/76/86/343437686.db2.gz TXLAYBNFANVUSF-GHMZBOCLSA-N 1 1 182.311 1.764 10 30 ADEEMO C=C(C)CN1[C@H](C)CCC[C@@H]1C[NH3+] 69723336 343437688 /nfs/dbraw/zinc/43/76/88/343437688.db2.gz TXLAYBNFANVUSF-GHMZBOCLSA-N 1 1 182.311 1.764 10 30 ADEEMO C=C[C@H](C)[N@H+]1[C@H](C)CCC[C@@H]1CN 69723442 343437729 /nfs/dbraw/zinc/43/77/29/343437729.db2.gz PGGOFTKGYMRUAK-HBNTYKKESA-N 1 1 182.311 1.763 10 30 ADEEMO C=C[C@H](C)N1[C@H](C)CCC[C@@H]1C[NH3+] 69723442 343437732 /nfs/dbraw/zinc/43/77/32/343437732.db2.gz PGGOFTKGYMRUAK-HBNTYKKESA-N 1 1 182.311 1.763 10 30 ADEEMO C=C[C@H](C)[N@@H+]1[C@H](CN)CCC[C@H]1C 69723450 343437780 /nfs/dbraw/zinc/43/77/80/343437780.db2.gz PGGOFTKGYMRUAK-AXFHLTTASA-N 1 1 182.311 1.763 10 30 ADEEMO C=C[C@H](C)N1[C@H](C[NH3+])CCC[C@H]1C 69723450 343437782 /nfs/dbraw/zinc/43/77/82/343437782.db2.gz PGGOFTKGYMRUAK-AXFHLTTASA-N 1 1 182.311 1.763 10 30 ADEEMO C=C(C)C[N@H+]1[C@@H](C)CCC[C@@H]1CN 69723339 343437792 /nfs/dbraw/zinc/43/77/92/343437792.db2.gz TXLAYBNFANVUSF-WDEREUQCSA-N 1 1 182.311 1.764 10 30 ADEEMO C=C(C)CN1[C@@H](C)CCC[C@@H]1C[NH3+] 69723339 343437796 /nfs/dbraw/zinc/43/77/96/343437796.db2.gz TXLAYBNFANVUSF-WDEREUQCSA-N 1 1 182.311 1.764 10 30 ADEEMO C=C(C)C[N@@H+]1[C@H](CN)CCC[C@H]1C 69723342 343437815 /nfs/dbraw/zinc/43/78/15/343437815.db2.gz TXLAYBNFANVUSF-MNOVXSKESA-N 1 1 182.311 1.764 10 30 ADEEMO C=C(C)CN1[C@H](C[NH3+])CCC[C@H]1C 69723342 343437816 /nfs/dbraw/zinc/43/78/16/343437816.db2.gz TXLAYBNFANVUSF-MNOVXSKESA-N 1 1 182.311 1.764 10 30 ADEEMO C=CC[N@H+]1[C@H](CN)CCC[C@H]1C 69723072 343437858 /nfs/dbraw/zinc/43/78/58/343437858.db2.gz RANZQADUEOSWFB-ZJUUUORDSA-N 1 1 168.284 1.374 10 30 ADEEMO C=CC[N@@H+]1[C@H](CN)CCC[C@H]1C 69723072 343437860 /nfs/dbraw/zinc/43/78/60/343437860.db2.gz RANZQADUEOSWFB-ZJUUUORDSA-N 1 1 168.284 1.374 10 30 ADEEMO C=CC[N@@H+]1[C@@H](C)CCC[C@@H]1CN 69723069 343437891 /nfs/dbraw/zinc/43/78/91/343437891.db2.gz RANZQADUEOSWFB-VHSXEESVSA-N 1 1 168.284 1.374 10 30 ADEEMO C=CC[N@H+]1[C@@H](C)CCC[C@@H]1CN 69723069 343437892 /nfs/dbraw/zinc/43/78/92/343437892.db2.gz RANZQADUEOSWFB-VHSXEESVSA-N 1 1 168.284 1.374 10 30 ADEEMO CC#CCN1C[C@H](C[NH3+])CC[C@@H]1C 69729213 343438135 /nfs/dbraw/zinc/43/81/35/343438135.db2.gz SKSQZRATHTYOQV-QWRGUYRKSA-N 1 1 180.295 1.069 10 30 ADEEMO CC#CCN1C[C@@H](C[NH3+])CC[C@@H]1C 69729214 343438194 /nfs/dbraw/zinc/43/81/94/343438194.db2.gz SKSQZRATHTYOQV-WDEREUQCSA-N 1 1 180.295 1.069 10 30 ADEEMO CCC[C@@H]1C[C@@]([NH3+])(C#N)CCO1 69892678 343451371 /nfs/dbraw/zinc/45/13/71/343451371.db2.gz SNBKYCDRAFGMNG-RKDXNWHRSA-N 1 1 168.240 1.187 10 30 ADEEMO CC[C@]1(C)C[C@]([NH3+])(C#N)CCO1 69892689 343451377 /nfs/dbraw/zinc/45/13/77/343451377.db2.gz OTLNSALRPMDOOF-BDAKNGLRSA-N 1 1 168.240 1.187 10 30 ADEEMO C[C@@H](CC#N)[N@@H+]1CCSC[C@@H]1C 69760915 343440010 /nfs/dbraw/zinc/44/00/10/343440010.db2.gz LOPHGMVNHHBDHO-IUCAKERBSA-N 1 1 184.308 1.726 10 30 ADEEMO C[C@@H](CC#N)[N@H+]1CCSC[C@@H]1C 69760915 343440012 /nfs/dbraw/zinc/44/00/12/343440012.db2.gz LOPHGMVNHHBDHO-IUCAKERBSA-N 1 1 184.308 1.726 10 30 ADEEMO C[C@@H](CC#N)[N@@H+]1CCSC[C@H]1C 69760914 343440049 /nfs/dbraw/zinc/44/00/49/343440049.db2.gz LOPHGMVNHHBDHO-DTWKUNHWSA-N 1 1 184.308 1.726 10 30 ADEEMO C[C@@H](CC#N)[N@H+]1CCSC[C@H]1C 69760914 343440052 /nfs/dbraw/zinc/44/00/52/343440052.db2.gz LOPHGMVNHHBDHO-DTWKUNHWSA-N 1 1 184.308 1.726 10 30 ADEEMO C#CCC[NH2+][C@@H]1C[C@H](C)N(C)C[C@H]1C 69767904 343440391 /nfs/dbraw/zinc/44/03/91/343440391.db2.gz XCTINOASCVFVFH-GRYCIOLGSA-N 1 1 194.322 1.328 10 30 ADEEMO C#CCC[NH2+]C1C[C@@H]2CC[C@H](C1)N2C 69767977 343440548 /nfs/dbraw/zinc/44/05/48/343440548.db2.gz LNDJBQRNOXIWTR-YOGCLGLASA-N 1 1 192.306 1.225 10 30 ADEEMO C#CCC[NH2+][C@@H]1C[C@@H](C)N(C)C[C@H]1C 69767902 343440663 /nfs/dbraw/zinc/44/06/63/343440663.db2.gz XCTINOASCVFVFH-IJLUTSLNSA-N 1 1 194.322 1.328 10 30 ADEEMO CC1(C)CCC[N@@H+](C[C@@H]2CO2)C1 69793292 343441461 /nfs/dbraw/zinc/44/14/61/343441461.db2.gz FPAFFHIKUXRNAC-SECBINFHSA-N 1 1 169.268 1.507 10 30 ADEEMO CC1(C)CCC[N@@H+](C[C@H]2CO2)C1 69793294 343441815 /nfs/dbraw/zinc/44/18/15/343441815.db2.gz FPAFFHIKUXRNAC-VIFPVBQESA-N 1 1 169.268 1.507 10 30 ADEEMO CC1(C)CCC[N@@H+](CC=O)C1 69793602 343442197 /nfs/dbraw/zinc/44/21/97/343442197.db2.gz KPONEAGXUNSFBF-UHFFFAOYSA-N 1 1 155.241 1.307 10 30 ADEEMO CC1(C)CCC[N@@H+](C[C@@](C)(N)C#N)C1 69793794 343442308 /nfs/dbraw/zinc/44/23/08/343442308.db2.gz SIZNFKOPMZRWCI-NSHDSACASA-N 1 1 195.310 1.349 10 30 ADEEMO CC1(C)CCC[N@H+](C[C@@](C)(N)C#N)C1 69793794 343442309 /nfs/dbraw/zinc/44/23/09/343442309.db2.gz SIZNFKOPMZRWCI-NSHDSACASA-N 1 1 195.310 1.349 10 30 ADEEMO CC1(C)CCC[N@@H+](CC[C@@H](N)C#N)C1 69793769 343442313 /nfs/dbraw/zinc/44/23/13/343442313.db2.gz UVQAPVZVOLAJFY-SNVBAGLBSA-N 1 1 195.310 1.349 10 30 ADEEMO CC1(C)CCC[N@@H+](C[C@](C)(N)C#N)C1 69793792 343442381 /nfs/dbraw/zinc/44/23/81/343442381.db2.gz SIZNFKOPMZRWCI-LLVKDONJSA-N 1 1 195.310 1.349 10 30 ADEEMO CC1(C)CCC[N@H+](C[C@](C)(N)C#N)C1 69793792 343442384 /nfs/dbraw/zinc/44/23/84/343442384.db2.gz SIZNFKOPMZRWCI-LLVKDONJSA-N 1 1 195.310 1.349 10 30 ADEEMO CC1(C)CCC[N@@H+](CC[C@H](N)C#N)C1 69793767 343442448 /nfs/dbraw/zinc/44/24/48/343442448.db2.gz UVQAPVZVOLAJFY-JTQLQIEISA-N 1 1 195.310 1.349 10 30 ADEEMO CC1(C)CCC[N@@H+](CCC=O)C1 69793577 343442513 /nfs/dbraw/zinc/44/25/13/343442513.db2.gz MFWQXUFLJSBORY-UHFFFAOYSA-N 1 1 169.268 1.697 10 30 ADEEMO CCC[C@@H]1C[C@]([NH3+])(C#N)CCO1 69892673 343451453 /nfs/dbraw/zinc/45/14/53/343451453.db2.gz SNBKYCDRAFGMNG-BDAKNGLRSA-N 1 1 168.240 1.187 10 30 ADEEMO CCC[C@H]1C[C@@]([NH3+])(C#N)CCO1 69892680 343451556 /nfs/dbraw/zinc/45/15/56/343451556.db2.gz SNBKYCDRAFGMNG-DTWKUNHWSA-N 1 1 168.240 1.187 10 30 ADEEMO CC(C)[C@H]1C[C@]([NH3+])(C#N)CCO1 69892700 343451614 /nfs/dbraw/zinc/45/16/14/343451614.db2.gz CRSCBQJCQXYMJX-BDAKNGLRSA-N 1 1 168.240 1.042 10 30 ADEEMO CC(C)[C@@H]1C[C@]([NH3+])(C#N)CCO1 69892697 343451644 /nfs/dbraw/zinc/45/16/44/343451644.db2.gz CRSCBQJCQXYMJX-IUCAKERBSA-N 1 1 168.240 1.042 10 30 ADEEMO CC[C@@]1(C)C[C@@]([NH3+])(C#N)CCO1 69892695 343451699 /nfs/dbraw/zinc/45/16/99/343451699.db2.gz OTLNSALRPMDOOF-DTWKUNHWSA-N 1 1 168.240 1.187 10 30 ADEEMO CC[C@@]1(C)C[C@]([NH3+])(C#N)CCO1 69892690 343451722 /nfs/dbraw/zinc/45/17/22/343451722.db2.gz OTLNSALRPMDOOF-IUCAKERBSA-N 1 1 168.240 1.187 10 30 ADEEMO CCC[C@H]1C[C@]([NH3+])(C#N)CCO1 69892676 343451754 /nfs/dbraw/zinc/45/17/54/343451754.db2.gz SNBKYCDRAFGMNG-IUCAKERBSA-N 1 1 168.240 1.187 10 30 ADEEMO CC(C)[C@@H]1C[C@@]([NH3+])(C#N)CCO1 69892701 343451843 /nfs/dbraw/zinc/45/18/43/343451843.db2.gz CRSCBQJCQXYMJX-DTWKUNHWSA-N 1 1 168.240 1.042 10 30 ADEEMO CC(C)[C@H]1C[C@@]([NH3+])(C#N)CCO1 69892704 343451881 /nfs/dbraw/zinc/45/18/81/343451881.db2.gz CRSCBQJCQXYMJX-RKDXNWHRSA-N 1 1 168.240 1.042 10 30 ADEEMO C[C@H]1C[C@](C#N)([NH+]2CCCC2)CCO1 69897264 343453494 /nfs/dbraw/zinc/45/34/94/343453494.db2.gz NJJMVNFNEIFGCF-WDEREUQCSA-N 1 1 194.278 1.543 10 30 ADEEMO C[C@@H]1C[C@@](C#N)([NH+]2CCCC2)CCO1 69897254 343453502 /nfs/dbraw/zinc/45/35/02/343453502.db2.gz NJJMVNFNEIFGCF-MNOVXSKESA-N 1 1 194.278 1.543 10 30 ADEEMO C[C@@H]1C[C@](C#N)([NH+]2CCCC2)CCO1 69897262 343453540 /nfs/dbraw/zinc/45/35/40/343453540.db2.gz NJJMVNFNEIFGCF-GHMZBOCLSA-N 1 1 194.278 1.543 10 30 ADEEMO C[C@H]1C[C@@](C#N)([NH+]2CCCC2)CCO1 69897256 343453628 /nfs/dbraw/zinc/45/36/28/343453628.db2.gz NJJMVNFNEIFGCF-QWRGUYRKSA-N 1 1 194.278 1.543 10 30 ADEEMO C#CC[N@@H+]1C[C@H](C)S[C@H](C)C1 69909086 343455718 /nfs/dbraw/zinc/45/57/18/343455718.db2.gz FFDKCKASOVNZIP-DTORHVGOSA-N 1 1 169.293 1.445 10 30 ADEEMO C[C@H]1C[N@@H+](C[C@@H]2CO2)C[C@@H](C)S1 69908447 343455754 /nfs/dbraw/zinc/45/57/54/343455754.db2.gz PZPNYYXQVUVYKO-HRDYMLBCSA-N 1 1 187.308 1.211 10 30 ADEEMO C[C@H]1C[N@@H+](C[C@@H](C)C#N)C[C@@H](C)S1 69908503 343455779 /nfs/dbraw/zinc/45/57/79/343455779.db2.gz ANJZMJXVXYSTLS-LPEHRKFASA-N 1 1 198.335 1.972 10 30 ADEEMO C[C@H]1C[N@H+](C[C@@H](C)C#N)C[C@@H](C)S1 69908503 343455781 /nfs/dbraw/zinc/45/57/81/343455781.db2.gz ANJZMJXVXYSTLS-LPEHRKFASA-N 1 1 198.335 1.972 10 30 ADEEMO CC#CCCc1cc[nH+]c(N)c1 69942491 343457914 /nfs/dbraw/zinc/45/79/14/343457914.db2.gz QFOXKKJNRZUKJH-UHFFFAOYSA-N 1 1 160.220 1.620 10 30 ADEEMO C#CCCc1cc[nH+]c(N)c1 69942525 343458240 /nfs/dbraw/zinc/45/82/40/343458240.db2.gz DMZUDWHHENHEJM-UHFFFAOYSA-N 1 1 146.193 1.230 10 30 ADEEMO C#CCc1cc(C)c[nH+]c1N 69943171 343458829 /nfs/dbraw/zinc/45/88/29/343458829.db2.gz FNOXWWICIUDVMT-UHFFFAOYSA-N 1 1 146.193 1.148 10 30 ADEEMO C=CCc1cc(C)c[nH+]c1N 69943151 343458864 /nfs/dbraw/zinc/45/88/64/343458864.db2.gz XBZIODAETYRFMZ-UHFFFAOYSA-N 1 1 148.209 1.701 10 30 ADEEMO CC#CCc1cc(C)c[nH+]c1N 69943138 343458880 /nfs/dbraw/zinc/45/88/80/343458880.db2.gz XUCCELKWHNHIAX-UHFFFAOYSA-N 1 1 160.220 1.538 10 30 ADEEMO CC#CCCc1ccc[nH+]c1N 69944216 343459223 /nfs/dbraw/zinc/45/92/23/343459223.db2.gz CJUWEQXWGPQGFO-UHFFFAOYSA-N 1 1 160.220 1.620 10 30 ADEEMO C[C@@H]1CCCCC[N@H+]1C[C@@H]1CO1 69944799 343459461 /nfs/dbraw/zinc/45/94/61/343459461.db2.gz LDKMNUWNEOAMRR-NXEZZACHSA-N 1 1 169.268 1.650 10 30 ADEEMO C[C@H]1CCCCC[N@H+]1C[C@@H]1CO1 69944800 343459541 /nfs/dbraw/zinc/45/95/41/343459541.db2.gz LDKMNUWNEOAMRR-VHSXEESVSA-N 1 1 169.268 1.650 10 30 ADEEMO C[C@@H]1CCCCC[N@H+]1CC[C@H](N)C#N 69945538 343459781 /nfs/dbraw/zinc/45/97/81/343459781.db2.gz HNRQAGQCGMKMMP-MNOVXSKESA-N 1 1 195.310 1.492 10 30 ADEEMO C[C@H]1CCCCC[N@H+]1CC[C@H](N)C#N 69945539 343459788 /nfs/dbraw/zinc/45/97/88/343459788.db2.gz HNRQAGQCGMKMMP-QWRGUYRKSA-N 1 1 195.310 1.492 10 30 ADEEMO C[C@@H]1CCCCC[N@@H+]1C[C@H](N)C#N 69945540 343459849 /nfs/dbraw/zinc/45/98/49/343459849.db2.gz MHHPAAVMZHMLRZ-NXEZZACHSA-N 1 1 181.283 1.102 10 30 ADEEMO C[C@@H]1CCCCC[N@H+]1C[C@H](N)C#N 69945540 343459851 /nfs/dbraw/zinc/45/98/51/343459851.db2.gz MHHPAAVMZHMLRZ-NXEZZACHSA-N 1 1 181.283 1.102 10 30 ADEEMO C[C@H]1CCCCC[N@H+]1CC=O 69945306 343459877 /nfs/dbraw/zinc/45/98/77/343459877.db2.gz SJSNTMBQZPWYIS-VIFPVBQESA-N 1 1 155.241 1.450 10 30 ADEEMO C[C@@H]1CCCCC[N@H+]1CC=O 69945305 343459910 /nfs/dbraw/zinc/45/99/10/343459910.db2.gz SJSNTMBQZPWYIS-SECBINFHSA-N 1 1 155.241 1.450 10 30 ADEEMO C#CC[N@@H+]1CCCCC[C@@H]1C 69945477 343460085 /nfs/dbraw/zinc/46/00/85/343460085.db2.gz ONRCQEMSELGEDT-JTQLQIEISA-N 1 1 151.253 1.884 10 30 ADEEMO C#CC[N@@H+]1CCCCC[C@H]1C 69945476 343460191 /nfs/dbraw/zinc/46/01/91/343460191.db2.gz ONRCQEMSELGEDT-SNVBAGLBSA-N 1 1 151.253 1.884 10 30 ADEEMO C[C@H]1CCCCC[N@@H+]1C[C@H](N)C#N 69945541 343460238 /nfs/dbraw/zinc/46/02/38/343460238.db2.gz MHHPAAVMZHMLRZ-VHSXEESVSA-N 1 1 181.283 1.102 10 30 ADEEMO C[C@H]1CCCCC[N@H+]1C[C@H](N)C#N 69945541 343460241 /nfs/dbraw/zinc/46/02/41/343460241.db2.gz MHHPAAVMZHMLRZ-VHSXEESVSA-N 1 1 181.283 1.102 10 30 ADEEMO CC#CCn1cc[nH+]c1CCC 69963971 343460450 /nfs/dbraw/zinc/46/04/50/343460450.db2.gz HYMVARRGGGUQGP-UHFFFAOYSA-N 1 1 162.236 1.859 10 30 ADEEMO CC#CC[NH2+][C@H]1COc2ccccc21 70068900 343474013 /nfs/dbraw/zinc/47/40/13/343474013.db2.gz YGLGTBPFYLWSAW-NSHDSACASA-N 1 1 187.242 1.733 10 30 ADEEMO C#CC[N@@H+]1CCC[C@@H](C)CC1 70158220 343475704 /nfs/dbraw/zinc/47/57/04/343475704.db2.gz AMMKFUILSPSLOS-SNVBAGLBSA-N 1 1 151.253 1.742 10 30 ADEEMO C#CC[N@@H+]1CCC[C@H](C)CC1 70158221 343475717 /nfs/dbraw/zinc/47/57/17/343475717.db2.gz AMMKFUILSPSLOS-JTQLQIEISA-N 1 1 151.253 1.742 10 30 ADEEMO C#CCC[N@H+](C)C1CCN(C)CC1 70159429 343475793 /nfs/dbraw/zinc/47/57/93/343475793.db2.gz XCYANDISTPETGI-UHFFFAOYSA-N 1 1 180.295 1.036 10 30 ADEEMO C#CCCc1ccc[nH+]c1N 70318465 343486579 /nfs/dbraw/zinc/48/65/79/343486579.db2.gz NEMCMESZDLMBMV-UHFFFAOYSA-N 1 1 146.193 1.230 10 30 ADEEMO CC[C@@H]1CCC[C@]([NH3+])(C#N)C1 70563171 343491718 /nfs/dbraw/zinc/49/17/18/343491718.db2.gz NFCGLWIIDSABAT-RKDXNWHRSA-N 1 1 152.241 1.808 10 30 ADEEMO CC[C@H]1CCC[C@@]([NH3+])(C#N)C1 70563174 343491962 /nfs/dbraw/zinc/49/19/62/343491962.db2.gz NFCGLWIIDSABAT-IUCAKERBSA-N 1 1 152.241 1.808 10 30 ADEEMO CC[C@H]1CCC[C@]([NH3+])(C#N)C1 70563172 343492002 /nfs/dbraw/zinc/49/20/02/343492002.db2.gz NFCGLWIIDSABAT-DTWKUNHWSA-N 1 1 152.241 1.808 10 30 ADEEMO CC[C@@H]1CCC[C@@]([NH3+])(C#N)C1 70563173 343492023 /nfs/dbraw/zinc/49/20/23/343492023.db2.gz NFCGLWIIDSABAT-BDAKNGLRSA-N 1 1 152.241 1.808 10 30 ADEEMO CC[C@@H]1CCCC[C@]1([NH3+])C#N 70568428 343493718 /nfs/dbraw/zinc/49/37/18/343493718.db2.gz JJXKALODIATZNH-BDAKNGLRSA-N 1 1 152.241 1.808 10 30 ADEEMO CC[C@H]1CCCC[C@@]1([NH3+])C#N 70568431 343493795 /nfs/dbraw/zinc/49/37/95/343493795.db2.gz JJXKALODIATZNH-DTWKUNHWSA-N 1 1 152.241 1.808 10 30 ADEEMO CC[C@@H]1CCCC[C@@]1([NH3+])C#N 70568430 343493851 /nfs/dbraw/zinc/49/38/51/343493851.db2.gz JJXKALODIATZNH-RKDXNWHRSA-N 1 1 152.241 1.808 10 30 ADEEMO CC[C@H]1CCCC[C@]1([NH3+])C#N 70568429 343493877 /nfs/dbraw/zinc/49/38/77/343493877.db2.gz JJXKALODIATZNH-IUCAKERBSA-N 1 1 152.241 1.808 10 30 ADEEMO C=CCCN1CC[C@@H](C)[C@@H]([NH3+])C1 70593351 343499473 /nfs/dbraw/zinc/49/94/73/343499473.db2.gz JNHYRIYLMVPAPO-ZJUUUORDSA-N 1 1 168.284 1.232 10 30 ADEEMO C=CCCN1[C@H](C)C[NH2+]C[C@H]1C 70593348 343499521 /nfs/dbraw/zinc/49/95/21/343499521.db2.gz QHEWGAKYGZRZSB-NXEZZACHSA-N 1 1 168.284 1.245 10 30 ADEEMO C=CCC[N@H+](C)[C@H](C)CC#N 70592560 343499624 /nfs/dbraw/zinc/49/96/24/343499624.db2.gz FWZGJHBQDZRHQJ-SECBINFHSA-N 1 1 152.241 1.796 10 30 ADEEMO C=CCCN1CC[C@H](C)[C@@H]([NH3+])C1 70593352 343499649 /nfs/dbraw/zinc/49/96/49/343499649.db2.gz JNHYRIYLMVPAPO-UWVGGRQHSA-N 1 1 168.284 1.232 10 30 ADEEMO C=CCC[N@H+](CCC#N)CCOC 70592562 343499736 /nfs/dbraw/zinc/49/97/36/343499736.db2.gz CNESSAVHDQVHIM-UHFFFAOYSA-N 1 1 182.267 1.425 10 30 ADEEMO C=CCC[N@@H+](CCC#N)CCOC 70592562 343499738 /nfs/dbraw/zinc/49/97/38/343499738.db2.gz CNESSAVHDQVHIM-UHFFFAOYSA-N 1 1 182.267 1.425 10 30 ADEEMO C=CCC[N@H+](C)[C@@H](C)CC#N 70592559 343499765 /nfs/dbraw/zinc/49/97/65/343499765.db2.gz FWZGJHBQDZRHQJ-VIFPVBQESA-N 1 1 152.241 1.796 10 30 ADEEMO C=CCCN1[C@@H](C)C[NH2+]C[C@@H]1C 70593347 343499800 /nfs/dbraw/zinc/49/98/00/343499800.db2.gz QHEWGAKYGZRZSB-UWVGGRQHSA-N 1 1 168.284 1.245 10 30 ADEEMO C=CCC[N@H+](C)CCCC(=O)OC 70595429 343499974 /nfs/dbraw/zinc/49/99/74/343499974.db2.gz CNMFIKVTFRHEJJ-UHFFFAOYSA-N 1 1 185.267 1.448 10 30 ADEEMO C=CCCC[N@H+](CCC)CC(=O)OC 70595432 343499986 /nfs/dbraw/zinc/49/99/86/343499986.db2.gz BBLFGEZRTQPCKK-UHFFFAOYSA-N 1 1 199.294 1.838 10 30 ADEEMO C=CCC[N@@H+]1CCCC[C@@H]1CO 70595461 343500081 /nfs/dbraw/zinc/50/00/81/343500081.db2.gz BFMYVYBGNDOLMC-SNVBAGLBSA-N 1 1 169.268 1.409 10 30 ADEEMO C=CCC[N@@H+]1CCCC[C@H]1CO 70595462 343500086 /nfs/dbraw/zinc/50/00/86/343500086.db2.gz BFMYVYBGNDOLMC-JTQLQIEISA-N 1 1 169.268 1.409 10 30 ADEEMO C=CCCC[N@H+](C)CCCC(=O)OC 70595430 343500099 /nfs/dbraw/zinc/50/00/99/343500099.db2.gz WVFHEWJXJAXFLP-UHFFFAOYSA-N 1 1 199.294 1.838 10 30 ADEEMO C=CCC[N@H+](CCC)CC(=O)OC 70595431 343500120 /nfs/dbraw/zinc/50/01/20/343500120.db2.gz AAZKQYJXOMTCJW-UHFFFAOYSA-N 1 1 185.267 1.448 10 30 ADEEMO C=CCCC[N@H+](C)CCC(=O)OC 70595440 343500139 /nfs/dbraw/zinc/50/01/39/343500139.db2.gz QHACXCDNNFQBSF-UHFFFAOYSA-N 1 1 185.267 1.448 10 30 ADEEMO C=CCC[N@@H+](CC(=O)OCC)C1CC1 70595426 343500203 /nfs/dbraw/zinc/50/02/03/343500203.db2.gz CASGYZMCKSULNT-UHFFFAOYSA-N 1 1 197.278 1.590 10 30 ADEEMO C=CCC[N@H+](CC(=O)OCC)C1CC1 70595426 343500206 /nfs/dbraw/zinc/50/02/06/343500206.db2.gz CASGYZMCKSULNT-UHFFFAOYSA-N 1 1 197.278 1.590 10 30 ADEEMO C=CCC[N@H+](C)C[C@@H](C)C(=O)OC 70595442 343500250 /nfs/dbraw/zinc/50/02/50/343500250.db2.gz CZHOJMGVJYNKSU-SECBINFHSA-N 1 1 185.267 1.303 10 30 ADEEMO C=CCC[N@@H+]1CCC[C@H](CO)C1 70595465 343500271 /nfs/dbraw/zinc/50/02/71/343500271.db2.gz HRNOHEUVVHZAJT-JTQLQIEISA-N 1 1 169.268 1.267 10 30 ADEEMO C=CCCC[N@H+](C)CCC(=O)OCC 70595438 343500300 /nfs/dbraw/zinc/50/03/00/343500300.db2.gz DIRALUBCYYRYHB-UHFFFAOYSA-N 1 1 199.294 1.838 10 30 ADEEMO C=CCC[N@H+](C)C[C@H](C)C(=O)OC 70595441 343500343 /nfs/dbraw/zinc/50/03/43/343500343.db2.gz CZHOJMGVJYNKSU-VIFPVBQESA-N 1 1 185.267 1.303 10 30 ADEEMO C=CCCC[N@H+](CC)CCC(=O)OC 70595422 343500378 /nfs/dbraw/zinc/50/03/78/343500378.db2.gz GGBWIDKRNAWICB-UHFFFAOYSA-N 1 1 199.294 1.838 10 30 ADEEMO C=CCCC[N@@H+](CC)CCO 70595475 343500640 /nfs/dbraw/zinc/50/06/40/343500640.db2.gz QSHBGVOUERKZRI-UHFFFAOYSA-N 1 1 157.257 1.267 10 30 ADEEMO C=CCCn1cc[nH+]c1C 70595692 343500781 /nfs/dbraw/zinc/50/07/81/343500781.db2.gz HTTYEIOQXSXSII-UHFFFAOYSA-N 1 1 136.198 1.768 10 30 ADEEMO C=CCC[N@@H+]1CCC[C@@H]1CCCO 70595513 343500801 /nfs/dbraw/zinc/50/08/01/343500801.db2.gz QMGZDIMJPAVGKG-LLVKDONJSA-N 1 1 183.295 1.799 10 30 ADEEMO C=CCCC[N@@H+]1CCC[C@@H]1CO 70595489 343500820 /nfs/dbraw/zinc/50/08/20/343500820.db2.gz DKFVIKIRXRXDFJ-SNVBAGLBSA-N 1 1 169.268 1.409 10 30 ADEEMO C=CCC[N@H+](CCO)CCCC 70595480 343500902 /nfs/dbraw/zinc/50/09/02/343500902.db2.gz CZFHJKPSWSKZCJ-UHFFFAOYSA-N 1 1 171.284 1.657 10 30 ADEEMO C=CCC[N@@H+]1CCC[C@H]1CCCO 70595514 343500880 /nfs/dbraw/zinc/50/08/80/343500880.db2.gz QMGZDIMJPAVGKG-NSHDSACASA-N 1 1 183.295 1.799 10 30 ADEEMO C=CCC[N@@H+]1CCC[C@@H](CO)C1 70595466 343500906 /nfs/dbraw/zinc/50/09/06/343500906.db2.gz HRNOHEUVVHZAJT-SNVBAGLBSA-N 1 1 169.268 1.267 10 30 ADEEMO C=CCCC[N@@H+]1CCC[C@H]1CO 70595490 343500940 /nfs/dbraw/zinc/50/09/40/343500940.db2.gz DKFVIKIRXRXDFJ-JTQLQIEISA-N 1 1 169.268 1.409 10 30 ADEEMO CC[C@@H]1CCC[N@H+](C[C@H](N)C#N)CC1 70614147 343502831 /nfs/dbraw/zinc/50/28/31/343502831.db2.gz XALCOWNGBVHROL-GHMZBOCLSA-N 1 1 195.310 1.349 10 30 ADEEMO CC[C@@H]1CCC[N@@H+](C[C@H](N)C#N)CC1 70614147 343502832 /nfs/dbraw/zinc/50/28/32/343502832.db2.gz XALCOWNGBVHROL-GHMZBOCLSA-N 1 1 195.310 1.349 10 30 ADEEMO CC[C@@H]1CCC[N@@H+](C[C@@H]2CO2)CC1 70613399 343502885 /nfs/dbraw/zinc/50/28/85/343502885.db2.gz QAVHNDAPBYFJGA-GHMZBOCLSA-N 1 1 183.295 1.897 10 30 ADEEMO CC[C@H]1CCC[N@@H+](CC=O)CC1 70613865 343502923 /nfs/dbraw/zinc/50/29/23/343502923.db2.gz RNSCZWGLZWEVBR-JTQLQIEISA-N 1 1 169.268 1.697 10 30 ADEEMO CC[C@H]1CCC[N@@H+](C[C@@H]2CO2)CC1 70613400 343503081 /nfs/dbraw/zinc/50/30/81/343503081.db2.gz QAVHNDAPBYFJGA-WDEREUQCSA-N 1 1 183.295 1.897 10 30 ADEEMO CC[C@H]1CCC[N@H+](C[C@H](N)C#N)CC1 70614148 343503241 /nfs/dbraw/zinc/50/32/41/343503241.db2.gz XALCOWNGBVHROL-WDEREUQCSA-N 1 1 195.310 1.349 10 30 ADEEMO CC[C@H]1CCC[N@@H+](C[C@H](N)C#N)CC1 70614148 343503243 /nfs/dbraw/zinc/50/32/43/343503243.db2.gz XALCOWNGBVHROL-WDEREUQCSA-N 1 1 195.310 1.349 10 30 ADEEMO CC[C@@H]1CCC[N@@H+](CC=O)CC1 70613864 343503310 /nfs/dbraw/zinc/50/33/10/343503310.db2.gz RNSCZWGLZWEVBR-SNVBAGLBSA-N 1 1 169.268 1.697 10 30 ADEEMO CC(C)[C@@H]1CCC[N@@H+](CC=O)CC1 70613938 343503316 /nfs/dbraw/zinc/50/33/16/343503316.db2.gz WQMTYQANGDSIIT-LLVKDONJSA-N 1 1 183.295 1.943 10 30 ADEEMO C=CCCc1ccc[nH+]c1N 70621777 343505119 /nfs/dbraw/zinc/50/51/19/343505119.db2.gz LRCXCXXEXDNMES-UHFFFAOYSA-N 1 1 148.209 1.782 10 30 ADEEMO CC#CC[NH2+][C@@H](C)c1nccs1 70634361 343511243 /nfs/dbraw/zinc/51/12/43/343511243.db2.gz DYRKRERWPPQHCD-QMMMGPOBSA-N 1 1 180.276 1.817 10 30 ADEEMO C#CC[NH2+][C@H](C)c1nc(C)cs1 70634185 343511267 /nfs/dbraw/zinc/51/12/67/343511267.db2.gz XJPWYUFMFOWDSG-MRVPVSSYSA-N 1 1 180.276 1.735 10 30 ADEEMO CC#CC[NH2+][C@H](C)c1nccs1 70634362 343511513 /nfs/dbraw/zinc/51/15/13/343511513.db2.gz DYRKRERWPPQHCD-MRVPVSSYSA-N 1 1 180.276 1.817 10 30 ADEEMO C#CC[NH2+][C@@H](C)c1nc(C)cs1 70634186 343511552 /nfs/dbraw/zinc/51/15/52/343511552.db2.gz XJPWYUFMFOWDSG-QMMMGPOBSA-N 1 1 180.276 1.735 10 30 ADEEMO CC[C@H]1CC[C@@]([NH3+])(C#N)C1 70644529 343515352 /nfs/dbraw/zinc/51/53/52/343515352.db2.gz BLWGVIHLGYMFAO-YUMQZZPRSA-N 1 1 138.214 1.418 10 30 ADEEMO C[C@@H]1CC[C@]([NH3+])(C#N)C1 70644530 343515448 /nfs/dbraw/zinc/51/54/48/343515448.db2.gz BBQHETXKUMTVMK-RNFRBKRXSA-N 1 1 124.187 1.027 10 30 ADEEMO CC[C@@H]1CC[C@@]([NH3+])(C#N)C1 70644528 343515486 /nfs/dbraw/zinc/51/54/86/343515486.db2.gz BLWGVIHLGYMFAO-SFYZADRCSA-N 1 1 138.214 1.418 10 30 ADEEMO C[C@H]1CC[C@@]([NH3+])(C#N)C1 70644533 343515511 /nfs/dbraw/zinc/51/55/11/343515511.db2.gz BBQHETXKUMTVMK-BQBZGAKWSA-N 1 1 124.187 1.027 10 30 ADEEMO CC[C@@H]1CC[C@]([NH3+])(C#N)C1 70644526 343515551 /nfs/dbraw/zinc/51/55/51/343515551.db2.gz BLWGVIHLGYMFAO-HTQZYQBOSA-N 1 1 138.214 1.418 10 30 ADEEMO CC[C@H](C)[N@@H+]1CCC[C@@H]1C#N 70662432 343521772 /nfs/dbraw/zinc/52/17/72/343521772.db2.gz BPTQHWDTVSVFNO-DTWKUNHWSA-N 1 1 152.241 1.773 10 30 ADEEMO CC[C@H](C)[N@H+]1CCC[C@@H]1C#N 70662432 343521774 /nfs/dbraw/zinc/52/17/74/343521774.db2.gz BPTQHWDTVSVFNO-DTWKUNHWSA-N 1 1 152.241 1.773 10 30 ADEEMO CC[C@@H](C)[N@@H+]1CCC[C@@H]1C#N 70662431 343522019 /nfs/dbraw/zinc/52/20/19/343522019.db2.gz BPTQHWDTVSVFNO-RKDXNWHRSA-N 1 1 152.241 1.773 10 30 ADEEMO CC[C@@H](C)[N@H+]1CCC[C@@H]1C#N 70662431 343522020 /nfs/dbraw/zinc/52/20/20/343522020.db2.gz BPTQHWDTVSVFNO-RKDXNWHRSA-N 1 1 152.241 1.773 10 30 ADEEMO N#C[C@@H]1CCC[N@H+](C2CCOCC2)C1 70663389 343522467 /nfs/dbraw/zinc/52/24/67/343522467.db2.gz FWAXUCOQDKKJDY-JTQLQIEISA-N 1 1 194.278 1.401 10 30 ADEEMO C=CCC[N@H+]1CCC[C@H](C#N)C1 70663330 343522549 /nfs/dbraw/zinc/52/25/49/343522549.db2.gz HCBVOBCIDDTBPA-SNVBAGLBSA-N 1 1 164.252 1.798 10 30 ADEEMO C=CCC[N@H+]1CCC[C@@H](C#N)C1 70663331 343522558 /nfs/dbraw/zinc/52/25/58/343522558.db2.gz HCBVOBCIDDTBPA-JTQLQIEISA-N 1 1 164.252 1.798 10 30 ADEEMO C=C[C@H](C)[N@@H+]1CCC[C@H](C#N)C1 70663242 343522567 /nfs/dbraw/zinc/52/25/67/343522567.db2.gz ULFFMPIEPXRLCU-VHSXEESVSA-N 1 1 164.252 1.796 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCC[C@H](C#N)C1 70663242 343522569 /nfs/dbraw/zinc/52/25/69/343522569.db2.gz ULFFMPIEPXRLCU-VHSXEESVSA-N 1 1 164.252 1.796 10 30 ADEEMO C=C[C@@H](C)[N@@H+]1CCC[C@H](C#N)C1 70663243 343522824 /nfs/dbraw/zinc/52/28/24/343522824.db2.gz ULFFMPIEPXRLCU-NXEZZACHSA-N 1 1 164.252 1.796 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCC[C@H](C#N)C1 70663243 343522826 /nfs/dbraw/zinc/52/28/26/343522826.db2.gz ULFFMPIEPXRLCU-NXEZZACHSA-N 1 1 164.252 1.796 10 30 ADEEMO CC(C)[N@H+]1CCO[C@H](CS)C1 70834772 343535648 /nfs/dbraw/zinc/53/56/48/343535648.db2.gz RJVRZUIGNQXQTA-QMMMGPOBSA-N 1 1 175.297 1.025 10 30 ADEEMO CC(C)[N@H+]1CCO[C@@H](CS)C1 70834776 343535716 /nfs/dbraw/zinc/53/57/16/343535716.db2.gz RJVRZUIGNQXQTA-MRVPVSSYSA-N 1 1 175.297 1.025 10 30 ADEEMO C/C=C/C[NH+]1CCN([C@@H](C)C#N)CC1 70995221 343546599 /nfs/dbraw/zinc/54/65/99/343546599.db2.gz GXQPJBDAKDSGRW-UFFNRZRYSA-N 1 1 193.294 1.092 10 30 ADEEMO C=C(C)C[NH+]1CCN([C@H](C)C#N)CC1 70995301 343546891 /nfs/dbraw/zinc/54/68/91/343546891.db2.gz AGFWNMVMGALANC-LLVKDONJSA-N 1 1 193.294 1.092 10 30 ADEEMO C=C(C)C[NH+]1CCN([C@@H](C)C#N)CC1 70995299 343546918 /nfs/dbraw/zinc/54/69/18/343546918.db2.gz AGFWNMVMGALANC-NSHDSACASA-N 1 1 193.294 1.092 10 30 ADEEMO C/C=C/C[NH+]1CCN([C@H](C)C#N)CC1 70995223 343547000 /nfs/dbraw/zinc/54/70/00/343547000.db2.gz GXQPJBDAKDSGRW-PGLGOXFNSA-N 1 1 193.294 1.092 10 30 ADEEMO C=CC[N@H+]1C[C@@](C)(CC)NC[C@H]1C 71356472 343551802 /nfs/dbraw/zinc/55/18/02/343551802.db2.gz YOXMGUPAJKDBCX-GHMZBOCLSA-N 1 1 182.311 1.635 10 30 ADEEMO C=CC[N@@H+]1C[C@@](C)(CC)NC[C@H]1C 71356472 343551804 /nfs/dbraw/zinc/55/18/04/343551804.db2.gz YOXMGUPAJKDBCX-GHMZBOCLSA-N 1 1 182.311 1.635 10 30 ADEEMO C=CC[N@H+]1C[C@](C)(CC)NC[C@H]1C 71356473 343551887 /nfs/dbraw/zinc/55/18/87/343551887.db2.gz YOXMGUPAJKDBCX-MNOVXSKESA-N 1 1 182.311 1.635 10 30 ADEEMO C=CC[N@@H+]1C[C@](C)(CC)NC[C@H]1C 71356473 343551889 /nfs/dbraw/zinc/55/18/89/343551889.db2.gz YOXMGUPAJKDBCX-MNOVXSKESA-N 1 1 182.311 1.635 10 30 ADEEMO Cc1cccc([C@H]([NH3+])CC#N)c1 71495634 343554607 /nfs/dbraw/zinc/55/46/07/343554607.db2.gz PWVYRPJBGZNYHA-SNVBAGLBSA-N 1 1 160.220 1.909 10 30 ADEEMO Cc1ccc([C@H]([NH3+])CC#N)cc1 71495636 343554647 /nfs/dbraw/zinc/55/46/47/343554647.db2.gz LLQZMSCTNHPMPL-SNVBAGLBSA-N 1 1 160.220 1.909 10 30 ADEEMO Cc1cccc([C@@H]([NH3+])CC#N)c1 71495635 343554669 /nfs/dbraw/zinc/55/46/69/343554669.db2.gz PWVYRPJBGZNYHA-JTQLQIEISA-N 1 1 160.220 1.909 10 30 ADEEMO Cc1ccc([C@@H]([NH3+])CC#N)cc1 71495637 343554707 /nfs/dbraw/zinc/55/47/07/343554707.db2.gz LLQZMSCTNHPMPL-JTQLQIEISA-N 1 1 160.220 1.909 10 30 ADEEMO O=CCCCCC[NH+]1CCOCC1 78468483 343583127 /nfs/dbraw/zinc/58/31/27/343583127.db2.gz JZBOZNGGCNJFSL-UHFFFAOYSA-N 1 1 185.267 1.078 10 30 ADEEMO C=CC[N@@H+]1CCC[C@H]1C 78927288 343585593 /nfs/dbraw/zinc/58/55/93/343585593.db2.gz PGADBGWOFKLFOH-MRVPVSSYSA-N 1 1 125.215 1.657 10 30 ADEEMO C=CC[N@@H+]1CCC[C@@H]1C 78927290 343585842 /nfs/dbraw/zinc/58/58/42/343585842.db2.gz PGADBGWOFKLFOH-QMMMGPOBSA-N 1 1 125.215 1.657 10 30 ADEEMO CC[N@H+]1CCC[C@@H]1CN(C)CCC#N 82491731 343604990 /nfs/dbraw/zinc/60/49/90/343604990.db2.gz DJWGHDFLSFIOAF-LLVKDONJSA-N 1 1 195.310 1.316 10 30 ADEEMO CC[N@H+]1CCC[C@H]1CN(C)CCC#N 82491732 343605495 /nfs/dbraw/zinc/60/54/95/343605495.db2.gz DJWGHDFLSFIOAF-NSHDSACASA-N 1 1 195.310 1.316 10 30 ADEEMO CCOCC[N@@H+](CC)CCCC#N 82537161 343605963 /nfs/dbraw/zinc/60/59/63/343605963.db2.gz DGONYTGRXQOSJY-UHFFFAOYSA-N 1 1 184.283 1.649 10 30 ADEEMO C[N@@H+](CCCC#N)C[C@H]1CCCOC1 82547055 343606253 /nfs/dbraw/zinc/60/62/53/343606253.db2.gz BGWSIGPCFNUNCP-LLVKDONJSA-N 1 1 196.294 1.649 10 30 ADEEMO C[N@@H+](CCCC#N)CC1CCOCC1 82544678 343606397 /nfs/dbraw/zinc/60/63/97/343606397.db2.gz GTPQZKKOZBLNAI-UHFFFAOYSA-N 1 1 196.294 1.649 10 30 ADEEMO C[N@@H+](CCCC#N)C[C@@H]1CCCOC1 82547053 343606428 /nfs/dbraw/zinc/60/64/28/343606428.db2.gz BGWSIGPCFNUNCP-NSHDSACASA-N 1 1 196.294 1.649 10 30 ADEEMO C[C@@H]1C[C@@H]1C[N@@H+](C)CCC#N 82648563 343609097 /nfs/dbraw/zinc/60/90/97/343609097.db2.gz XLSIBTDCJBUFJU-RKDXNWHRSA-N 1 1 152.241 1.488 10 30 ADEEMO C[C@H]1C[C@H]1C[N@@H+](C)CCC#N 82648566 343609116 /nfs/dbraw/zinc/60/91/16/343609116.db2.gz XLSIBTDCJBUFJU-IUCAKERBSA-N 1 1 152.241 1.488 10 30 ADEEMO C[C@@H]1C[C@H]1C[N@@H+](C)CCC#N 82648565 343609188 /nfs/dbraw/zinc/60/91/88/343609188.db2.gz XLSIBTDCJBUFJU-BDAKNGLRSA-N 1 1 152.241 1.488 10 30 ADEEMO C[C@H]1C[C@@H]1C[N@@H+](C)CCC#N 82648564 343609303 /nfs/dbraw/zinc/60/93/03/343609303.db2.gz XLSIBTDCJBUFJU-DTWKUNHWSA-N 1 1 152.241 1.488 10 30 ADEEMO CCC[N@@H+](C)Cc1ccnc(C#N)c1 82668853 343609593 /nfs/dbraw/zinc/60/95/93/343609593.db2.gz KERMNTMYECVISY-UHFFFAOYSA-N 1 1 189.262 1.795 10 30 ADEEMO CC[NH+](CC)Cc1nc(C#N)cs1 82686705 343610172 /nfs/dbraw/zinc/61/01/72/343610172.db2.gz XDKCCBJAHOSCCY-UHFFFAOYSA-N 1 1 195.291 1.857 10 30 ADEEMO C=CCCC[N@@H+]1CC[C@H](C(=O)OC)C1 82725882 343611348 /nfs/dbraw/zinc/61/13/48/343611348.db2.gz QALLRDVPHDEUTQ-JTQLQIEISA-N 1 1 197.278 1.448 10 30 ADEEMO C=CCCC[N@@H+]1CC[C@@H](C(=O)OC)C1 82725879 343611408 /nfs/dbraw/zinc/61/14/08/343611408.db2.gz QALLRDVPHDEUTQ-SNVBAGLBSA-N 1 1 197.278 1.448 10 30 ADEEMO C=CCC[N@@H+]1CC[C@H](C(=O)OC)C1 82849630 343614057 /nfs/dbraw/zinc/61/40/57/343614057.db2.gz VHIIKDXXGGTVPT-VIFPVBQESA-N 1 1 183.251 1.057 10 30 ADEEMO C=CCC[N@@H+]1CC[C@@H](C(=O)OC)C1 82849629 343614201 /nfs/dbraw/zinc/61/42/01/343614201.db2.gz VHIIKDXXGGTVPT-SECBINFHSA-N 1 1 183.251 1.057 10 30 ADEEMO C[C@@H](C#N)C[N@@H+](C)CC[C@@H]1CCCO1 83526986 343620703 /nfs/dbraw/zinc/62/07/03/343620703.db2.gz GIOBYKKTPBBDIK-QWRGUYRKSA-N 1 1 196.294 1.647 10 30 ADEEMO CC[N@@H+](CCC#N)CC[C@@H]1CCCO1 83526983 343620738 /nfs/dbraw/zinc/62/07/38/343620738.db2.gz BXEWTEUYOMDUAE-NSHDSACASA-N 1 1 196.294 1.791 10 30 ADEEMO C[C@H](C#N)C[N@@H+](C)CC[C@@H]1CCCO1 83526985 343620855 /nfs/dbraw/zinc/62/08/55/343620855.db2.gz GIOBYKKTPBBDIK-MNOVXSKESA-N 1 1 196.294 1.647 10 30 ADEEMO CC[N@@H+](CCC#N)CC[C@H]1CCCO1 83526984 343620936 /nfs/dbraw/zinc/62/09/36/343620936.db2.gz BXEWTEUYOMDUAE-LLVKDONJSA-N 1 1 196.294 1.791 10 30 ADEEMO C[C@H](CC#N)[N@@H+](C)CC[C@@H]1CCCO1 83527002 343621216 /nfs/dbraw/zinc/62/12/16/343621216.db2.gz BQBQYZSMVDUDOQ-MNOVXSKESA-N 1 1 196.294 1.789 10 30 ADEEMO C[C@@H](CC#N)[N@@H+](C)CC[C@@H]1CCCO1 83527001 343621546 /nfs/dbraw/zinc/62/15/46/343621546.db2.gz BQBQYZSMVDUDOQ-QWRGUYRKSA-N 1 1 196.294 1.789 10 30 ADEEMO COCCC[N@@H+](C)CC1(CC#N)CC1 83862360 343626836 /nfs/dbraw/zinc/62/68/36/343626836.db2.gz GQFNLMLBHMDXOH-UHFFFAOYSA-N 1 1 196.294 1.649 10 30 ADEEMO Cc1cn(CCC#N)c(C)[nH+]1 84403378 343635820 /nfs/dbraw/zinc/63/58/20/343635820.db2.gz CSIGYLUEWXGYHR-UHFFFAOYSA-N 1 1 149.197 1.414 10 30 ADEEMO C=C(CC)C[N@@H+]1CCC[C@@H]1C(=O)OC 85064735 343639559 /nfs/dbraw/zinc/63/95/59/343639559.db2.gz BRSZEIKIFDTYAH-SNVBAGLBSA-N 1 1 197.278 1.590 10 30 ADEEMO C=C(CC)C[N@H+]1CCC[C@@H]1C(=O)OC 85064735 343639561 /nfs/dbraw/zinc/63/95/61/343639561.db2.gz BRSZEIKIFDTYAH-SNVBAGLBSA-N 1 1 197.278 1.590 10 30 ADEEMO C=C(CC)C[N@@H+]1CCC[C@H]1C(=O)OC 85064737 343639654 /nfs/dbraw/zinc/63/96/54/343639654.db2.gz BRSZEIKIFDTYAH-JTQLQIEISA-N 1 1 197.278 1.590 10 30 ADEEMO C=C(CC)C[N@H+]1CCC[C@H]1C(=O)OC 85064737 343639655 /nfs/dbraw/zinc/63/96/55/343639655.db2.gz BRSZEIKIFDTYAH-JTQLQIEISA-N 1 1 197.278 1.590 10 30 ADEEMO N#CCCCC[N@H+]1C[C@@H]2CC[C@H](C1)O2 85540365 343645031 /nfs/dbraw/zinc/64/50/31/343645031.db2.gz WVDCKVOYSLFELS-PHIMTYICSA-N 1 1 194.278 1.543 10 30 ADEEMO C[C@H](C#N)CN(C)C[C@@H]1CCC[N@H+]1C 86188565 343649684 /nfs/dbraw/zinc/64/96/84/343649684.db2.gz GVNJUKXIAKPHEN-MNOVXSKESA-N 1 1 195.310 1.172 10 30 ADEEMO C[C@H](CC#N)N(C)C[C@@H]1CCC[N@H+]1C 86188569 343649661 /nfs/dbraw/zinc/64/96/61/343649661.db2.gz FSGSYAOMHLSKPP-MNOVXSKESA-N 1 1 195.310 1.315 10 30 ADEEMO C[C@@H](C#N)CN(C)C[C@@H]1CCC[N@H+]1C 86188566 343649693 /nfs/dbraw/zinc/64/96/93/343649693.db2.gz GVNJUKXIAKPHEN-QWRGUYRKSA-N 1 1 195.310 1.172 10 30 ADEEMO C[C@@H](CC#N)N(C)C[C@@H]1CCC[N@H+]1C 86188568 343649889 /nfs/dbraw/zinc/64/98/89/343649889.db2.gz FSGSYAOMHLSKPP-QWRGUYRKSA-N 1 1 195.310 1.315 10 30 ADEEMO CC(C)C1C[NH+](CCC#N)C1 86681361 343654083 /nfs/dbraw/zinc/65/40/83/343654083.db2.gz FJXCHCHJHUKYOL-UHFFFAOYSA-N 1 1 152.241 1.488 10 30 ADEEMO C[N@@H+](CCCC#N)CCOCC1CC1 87399679 343660515 /nfs/dbraw/zinc/66/05/15/343660515.db2.gz HXCDZHOBFIGOOT-UHFFFAOYSA-N 1 1 196.294 1.649 10 30 ADEEMO C=C(CC)C[N@H+]1CC[C@@H](C(=O)OC)C1 87417013 343660765 /nfs/dbraw/zinc/66/07/65/343660765.db2.gz XXIPGIAPTUYGGJ-SNVBAGLBSA-N 1 1 197.278 1.448 10 30 ADEEMO CCOCC[N@H+](C)[C@H]1CCC[C@@H]1C#N 87977658 343665878 /nfs/dbraw/zinc/66/58/78/343665878.db2.gz RJFWFFWIGRLOPC-MNOVXSKESA-N 1 1 196.294 1.647 10 30 ADEEMO CCOCC[N@@H+](C)[C@H]1CCC[C@@H]1C#N 87977658 343665879 /nfs/dbraw/zinc/66/58/79/343665879.db2.gz RJFWFFWIGRLOPC-MNOVXSKESA-N 1 1 196.294 1.647 10 30 ADEEMO CCOCC[N@H+](C)[C@@H]1CCC[C@@H]1C#N 87977657 343666170 /nfs/dbraw/zinc/66/61/70/343666170.db2.gz RJFWFFWIGRLOPC-GHMZBOCLSA-N 1 1 196.294 1.647 10 30 ADEEMO CCOCC[N@@H+](C)[C@@H]1CCC[C@@H]1C#N 87977657 343666172 /nfs/dbraw/zinc/66/61/72/343666172.db2.gz RJFWFFWIGRLOPC-GHMZBOCLSA-N 1 1 196.294 1.647 10 30 ADEEMO CC[N@@H+](CCC#N)CCCF 88025242 343666224 /nfs/dbraw/zinc/66/62/24/343666224.db2.gz GGEOPFQKNZWONE-UHFFFAOYSA-N 1 1 158.220 1.582 10 30 ADEEMO CC[N@H+](CCC#N)CCCF 88025242 343666228 /nfs/dbraw/zinc/66/62/28/343666228.db2.gz GGEOPFQKNZWONE-UHFFFAOYSA-N 1 1 158.220 1.582 10 30 ADEEMO CCOCC[N@@H+](C)CC1(CC#N)CC1 87977651 343666231 /nfs/dbraw/zinc/66/62/31/343666231.db2.gz AXLSDBQRRQBJPB-UHFFFAOYSA-N 1 1 196.294 1.649 10 30 ADEEMO N#CCCC[NH2+]Cc1ccon1 88053899 343667494 /nfs/dbraw/zinc/66/74/94/343667494.db2.gz GANDWVCSZVLPTI-UHFFFAOYSA-N 1 1 165.196 1.068 10 30 ADEEMO C=C(C)C[N@@H+]1CC[C@@H](C(=O)OC)C1 88300453 343670413 /nfs/dbraw/zinc/67/04/13/343670413.db2.gz HDRNLHOLQOPLCS-SECBINFHSA-N 1 1 183.251 1.057 10 30 ADEEMO C=C(C)C[N@@H+]1CC[C@H](C(=O)OC)C1 88300451 343670453 /nfs/dbraw/zinc/67/04/53/343670453.db2.gz HDRNLHOLQOPLCS-VIFPVBQESA-N 1 1 183.251 1.057 10 30 ADEEMO Cc1cn2c[nH+]c(C)c2c(CC#N)n1 89195467 343672392 /nfs/dbraw/zinc/67/23/92/343672392.db2.gz XGWWAZAUCTXEED-UHFFFAOYSA-N 1 1 186.218 1.412 10 30 ADEEMO C=CCC[N@@H+]1CCCC[C@H]1C(=O)OC 96832875 343701256 /nfs/dbraw/zinc/70/12/56/343701256.db2.gz GTFRSFCENDGTNX-JTQLQIEISA-N 1 1 197.278 1.590 10 30 ADEEMO C=CCC[N@@H+]1CCC[C@H](C(=O)OC)C1 96832883 343701284 /nfs/dbraw/zinc/70/12/84/343701284.db2.gz HUSVLUHUPUDXCA-JTQLQIEISA-N 1 1 197.278 1.448 10 30 ADEEMO C=CCC[N@@H+]1CCCC[C@@H]1C(=O)OC 96832876 343701389 /nfs/dbraw/zinc/70/13/89/343701389.db2.gz GTFRSFCENDGTNX-SNVBAGLBSA-N 1 1 197.278 1.590 10 30 ADEEMO C=CCC[N@@H+]1CCC[C@@H](C(=O)OC)C1 96832882 343701458 /nfs/dbraw/zinc/70/14/58/343701458.db2.gz HUSVLUHUPUDXCA-SNVBAGLBSA-N 1 1 197.278 1.448 10 30 ADEEMO C=C[C@@H]([NH3+])c1snnc1C 97279156 343701758 /nfs/dbraw/zinc/70/17/58/343701758.db2.gz FRNBORSAMPWMGC-RXMQYKEDSA-N 1 1 155.226 1.032 10 30 ADEEMO C=C[C@H]([NH3+])c1snnc1C 97279157 343702007 /nfs/dbraw/zinc/70/20/07/343702007.db2.gz FRNBORSAMPWMGC-YFKPBYRVSA-N 1 1 155.226 1.032 10 30 ADEEMO C=C(C)C[N@@H+]1CCC[C@H](C(=O)OC)C1 97989513 343704140 /nfs/dbraw/zinc/70/41/40/343704140.db2.gz WAXGLCFFIRUGGK-JTQLQIEISA-N 1 1 197.278 1.448 10 30 ADEEMO C=CC[N@@H+]1CCC[C@H](C(=O)OC)C1 97989551 343704425 /nfs/dbraw/zinc/70/44/25/343704425.db2.gz UONVFPOSESLORP-VIFPVBQESA-N 1 1 183.251 1.057 10 30 ADEEMO CN(C)/C=[NH+]/c1ccccc1O 105585023 343736656 /nfs/dbraw/zinc/73/66/56/343736656.db2.gz ZZLRBBAANDKQAJ-JXMROGBWSA-N 1 1 164.208 1.614 10 30 ADEEMO CCC[N@@H+](CC=O)C1CC1 105789423 343737294 /nfs/dbraw/zinc/73/72/94/343737294.db2.gz OVXCYOXKISAZBF-UHFFFAOYSA-N 1 1 141.214 1.060 10 30 ADEEMO C=CC[N@H+]1CCCC[C@H]1C(=O)OC 105979964 343737646 /nfs/dbraw/zinc/73/76/46/343737646.db2.gz FMZGYZRUMAELGT-VIFPVBQESA-N 1 1 183.251 1.200 10 30 ADEEMO C=CC[N@@H+]1CCCC[C@H]1C(=O)OC 105979964 343737647 /nfs/dbraw/zinc/73/76/47/343737647.db2.gz FMZGYZRUMAELGT-VIFPVBQESA-N 1 1 183.251 1.200 10 30 ADEEMO C=CC[N@H+]1CCCC[C@@H]1C(=O)OC 105979966 343737717 /nfs/dbraw/zinc/73/77/17/343737717.db2.gz FMZGYZRUMAELGT-SECBINFHSA-N 1 1 183.251 1.200 10 30 ADEEMO C=CC[N@@H+]1CCCC[C@@H]1C(=O)OC 105979966 343737719 /nfs/dbraw/zinc/73/77/19/343737719.db2.gz FMZGYZRUMAELGT-SECBINFHSA-N 1 1 183.251 1.200 10 30 ADEEMO C=C(C)C[N@H+]1CCCC[C@H]1C(=O)OC 105980385 343737738 /nfs/dbraw/zinc/73/77/38/343737738.db2.gz XNTXBROACNXTFJ-JTQLQIEISA-N 1 1 197.278 1.590 10 30 ADEEMO C=C(C)C[N@@H+]1CCCC[C@H]1C(=O)OC 105980385 343737741 /nfs/dbraw/zinc/73/77/41/343737741.db2.gz XNTXBROACNXTFJ-JTQLQIEISA-N 1 1 197.278 1.590 10 30 ADEEMO N#CC([NH3+])(C1CC1)C1CC1 106789059 343738813 /nfs/dbraw/zinc/73/88/13/343738813.db2.gz ZGBIWUWHJXWUNS-UHFFFAOYSA-N 1 1 136.198 1.027 10 30 ADEEMO C=CC[N@@H+](CC(=O)OC)C1CCCC1 109194274 343753280 /nfs/dbraw/zinc/75/32/80/343753280.db2.gz HGGGKNIOWBMXMI-UHFFFAOYSA-N 1 1 197.278 1.590 10 30 ADEEMO C=CC[N@H+](CC(=O)OC)C1CCCC1 109194274 343753281 /nfs/dbraw/zinc/75/32/81/343753281.db2.gz HGGGKNIOWBMXMI-UHFFFAOYSA-N 1 1 197.278 1.590 10 30 ADEEMO C=CC[N@@H+]1CCC[C@@H](C(=O)OC)C1 112336300 343754795 /nfs/dbraw/zinc/75/47/95/343754795.db2.gz UONVFPOSESLORP-SECBINFHSA-N 1 1 183.251 1.057 10 30 ADEEMO C=C(C)C[N@@H+]1CCC[C@@H](C(=O)OC)C1 112345239 343755597 /nfs/dbraw/zinc/75/55/97/343755597.db2.gz WAXGLCFFIRUGGK-SNVBAGLBSA-N 1 1 197.278 1.448 10 30 ADEEMO C[C@H]1C[N@@H+](CCCC#N)CCS1 122518894 343779866 /nfs/dbraw/zinc/77/98/66/343779866.db2.gz NLYQWKIHURNFCI-VIFPVBQESA-N 1 1 184.308 1.727 10 30 ADEEMO C=CC[N@H+](CCO)CCCCC 123318735 343782957 /nfs/dbraw/zinc/78/29/57/343782957.db2.gz BGKLDURWHWPWAF-UHFFFAOYSA-N 1 1 171.284 1.657 10 30 ADEEMO C[C@@H]1C[N@H+](CCCC#N)C[C@@H]1N(C)C 124131712 343785785 /nfs/dbraw/zinc/78/57/85/343785785.db2.gz ONZPVDCSLGDEAK-MNOVXSKESA-N 1 1 195.310 1.172 10 30 ADEEMO C[C@@H]1C[N@@H+](CCCC#N)C[C@@H]1N(C)C 124131712 343785788 /nfs/dbraw/zinc/78/57/88/343785788.db2.gz ONZPVDCSLGDEAK-MNOVXSKESA-N 1 1 195.310 1.172 10 30 ADEEMO C[C@H]1C[N@H+](CCCC#N)C[C@@H]1N(C)C 124131907 343785809 /nfs/dbraw/zinc/78/58/09/343785809.db2.gz ONZPVDCSLGDEAK-QWRGUYRKSA-N 1 1 195.310 1.172 10 30 ADEEMO C[C@H]1C[N@@H+](CCCC#N)C[C@@H]1N(C)C 124131907 343785812 /nfs/dbraw/zinc/78/58/12/343785812.db2.gz ONZPVDCSLGDEAK-QWRGUYRKSA-N 1 1 195.310 1.172 10 30 ADEEMO C=C(C)CC[N@@H+]1CCC[C@H]1C(=O)OC 125020301 343788137 /nfs/dbraw/zinc/78/81/37/343788137.db2.gz GDHCBQGITVNISI-JTQLQIEISA-N 1 1 197.278 1.590 10 30 ADEEMO C=C(C)CC[N@@H+]1CCC[C@@H]1C(=O)OC 125020117 343788147 /nfs/dbraw/zinc/78/81/47/343788147.db2.gz GDHCBQGITVNISI-SNVBAGLBSA-N 1 1 197.278 1.590 10 30 ADEEMO C=CCC[N@H+](C)C(C)(C)CO 125399678 343790119 /nfs/dbraw/zinc/79/01/19/343790119.db2.gz FHOSZUOAYOTIGH-UHFFFAOYSA-N 1 1 157.257 1.265 10 30 ADEEMO C#CC[NH2+]Cc1occc1C 126630422 343794840 /nfs/dbraw/zinc/79/48/40/343794840.db2.gz HWYFJWJCKNIEKK-UHFFFAOYSA-N 1 1 149.193 1.311 10 30 ADEEMO C=C[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@H]1C 126922759 343800152 /nfs/dbraw/zinc/80/01/52/343800152.db2.gz OUQRZKJKNFKGJQ-AEJSXWLSSA-N 1 1 168.284 1.230 10 30 ADEEMO C=C[C@H](C)[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C 126922567 343800369 /nfs/dbraw/zinc/80/03/69/343800369.db2.gz OUQRZKJKNFKGJQ-LPEHRKFASA-N 1 1 168.284 1.230 10 30 ADEEMO C=C[C@H](C)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C 126922363 343800437 /nfs/dbraw/zinc/80/04/37/343800437.db2.gz OUQRZKJKNFKGJQ-IVZWLZJFSA-N 1 1 168.284 1.230 10 30 ADEEMO C=C[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@@H]1C 126922979 343800448 /nfs/dbraw/zinc/80/04/48/343800448.db2.gz OUQRZKJKNFKGJQ-GUBZILKMSA-N 1 1 168.284 1.230 10 30 ADEEMO C[C@H](C#N)Cn1c[nH+]c2c1CCCC2 127320628 343809783 /nfs/dbraw/zinc/80/97/83/343809783.db2.gz MYVKTGUFLFEETP-SECBINFHSA-N 1 1 189.262 1.922 10 30 ADEEMO C[C@@H](C#N)Cn1c[nH+]c2c1CCCC2 127320833 343809818 /nfs/dbraw/zinc/80/98/18/343809818.db2.gz MYVKTGUFLFEETP-VIFPVBQESA-N 1 1 189.262 1.922 10 30 ADEEMO C#CC[C@@H](C)Nc1cc(C)[nH+]c(C)n1 127338132 343810406 /nfs/dbraw/zinc/81/04/06/343810406.db2.gz HNHMDQIXWROYNV-MRVPVSSYSA-N 1 1 189.262 1.917 10 30 ADEEMO C#CC[C@H](C)Nc1cc(C)[nH+]c(C)n1 127337884 343810542 /nfs/dbraw/zinc/81/05/42/343810542.db2.gz HNHMDQIXWROYNV-QMMMGPOBSA-N 1 1 189.262 1.917 10 30 ADEEMO Cc1[nH+]c2c(n1CC=O)CCCC2 127351196 343810609 /nfs/dbraw/zinc/81/06/09/343810609.db2.gz CTZGQHSRKCXJDM-UHFFFAOYSA-N 1 1 178.235 1.269 10 30 ADEEMO SCCn1c[nH+]c2c1CCCC2 127429779 343811879 /nfs/dbraw/zinc/81/18/79/343811879.db2.gz MKYVNVZAJLNQPD-UHFFFAOYSA-N 1 1 182.292 1.692 10 30 ADEEMO C#CCNc1ccc2c([nH+]1)CCC2 127591988 343814565 /nfs/dbraw/zinc/81/45/65/343814565.db2.gz KCLWWPKRTUTUCY-UHFFFAOYSA-N 1 1 172.231 1.615 10 30 ADEEMO CC[C@H](C#N)N1C[C@H](C)[N@@H+](C)[C@H](C)C1 127736046 343817455 /nfs/dbraw/zinc/81/74/55/343817455.db2.gz NBUXSNSLONOQJT-OUAUKWLOSA-N 1 1 195.310 1.313 10 30 ADEEMO CC[C@@H](C#N)N1C[C@H](C)[N@@H+](C)[C@H](C)C1 127735790 343817840 /nfs/dbraw/zinc/81/78/40/343817840.db2.gz NBUXSNSLONOQJT-AXFHLTTASA-N 1 1 195.310 1.313 10 30 ADEEMO C#CC[C@@H]([NH3+])c1nc(C(C)C)no1 127740920 343818472 /nfs/dbraw/zinc/81/84/72/343818472.db2.gz JQHRCSMBHORDCP-SSDOTTSWSA-N 1 1 179.223 1.216 10 30 ADEEMO C#CC[C@H]([NH3+])c1nc(C(C)C)no1 127741114 343818573 /nfs/dbraw/zinc/81/85/73/343818573.db2.gz JQHRCSMBHORDCP-ZETCQYMHSA-N 1 1 179.223 1.216 10 30 ADEEMO C[C@@H]1C[C@@](O)(C2(C#N)CCC2)C[N@H+]1C 127909940 343820970 /nfs/dbraw/zinc/82/09/70/343820970.db2.gz HVVMKKGIKFHSRN-KOLCDFICSA-N 1 1 194.278 1.135 10 30 ADEEMO C[C@H]1C[C@@](O)(C2(C#N)CCC2)C[N@H+]1C 127910221 343821007 /nfs/dbraw/zinc/82/10/07/343821007.db2.gz HVVMKKGIKFHSRN-ONGXEEELSA-N 1 1 194.278 1.135 10 30 ADEEMO C[C@H]1C[C@](O)(C2(C#N)CCC2)C[N@H+]1C 127909693 343821170 /nfs/dbraw/zinc/82/11/70/343821170.db2.gz HVVMKKGIKFHSRN-GXSJLCMTSA-N 1 1 194.278 1.135 10 30 ADEEMO C[C@@H]1C[C@](O)(C2(C#N)CCC2)C[N@H+]1C 127909424 343821199 /nfs/dbraw/zinc/82/11/99/343821199.db2.gz HVVMKKGIKFHSRN-MWLCHTKSSA-N 1 1 194.278 1.135 10 30 ADEEMO C[N@@H+](CCO)Cc1cc(C#N)cs1 127930923 343821765 /nfs/dbraw/zinc/82/17/65/343821765.db2.gz ALCITTBIORVEIC-UHFFFAOYSA-N 1 1 196.275 1.044 10 30 ADEEMO CSCCC[N@@H+](C)C[C@@H](C)C#N 128345465 343829419 /nfs/dbraw/zinc/82/94/19/343829419.db2.gz DYXNFOGGWCAXIS-VIFPVBQESA-N 1 1 186.324 1.831 10 30 ADEEMO CSCCC[N@@H+](C)C[C@H](C)C#N 128345230 343829597 /nfs/dbraw/zinc/82/95/97/343829597.db2.gz DYXNFOGGWCAXIS-SECBINFHSA-N 1 1 186.324 1.831 10 30 ADEEMO C[N@@H+](CCCC#N)C1CCC1 128453112 343831952 /nfs/dbraw/zinc/83/19/52/343831952.db2.gz AKXXPCONBSWTFC-UHFFFAOYSA-N 1 1 152.241 1.774 10 30 ADEEMO C=CCCC[N@@H+](CC)CCCO 128502180 343832862 /nfs/dbraw/zinc/83/28/62/343832862.db2.gz OAGDAHHEJSVOQO-UHFFFAOYSA-N 1 1 171.284 1.657 10 30 ADEEMO C=CCC[N@@H+](CC)CCCO 128475070 343832912 /nfs/dbraw/zinc/83/29/12/343832912.db2.gz AYRXXGDWCULBOV-UHFFFAOYSA-N 1 1 157.257 1.267 10 30 ADEEMO CCSCC[N@H+](CC)CCC#N 128782150 343837441 /nfs/dbraw/zinc/83/74/41/343837441.db2.gz CRXRYKPSHBWVDK-UHFFFAOYSA-N 1 1 186.324 1.975 10 30 ADEEMO CCSCC[N@@H+](CC)CCC#N 128782150 343837444 /nfs/dbraw/zinc/83/74/44/343837444.db2.gz CRXRYKPSHBWVDK-UHFFFAOYSA-N 1 1 186.324 1.975 10 30 ADEEMO CC(C)(C#N)C[NH+]1CC2(CC2)C1 129308433 343848250 /nfs/dbraw/zinc/84/82/50/343848250.db2.gz MZYCZOGAZSYTKG-UHFFFAOYSA-N 1 1 164.252 1.632 10 30 ADEEMO CCSCC[N@H+](C)[C@@H](C)CC#N 129993275 343859812 /nfs/dbraw/zinc/85/98/12/343859812.db2.gz HLAVBZQMTFLCCE-VIFPVBQESA-N 1 1 186.324 1.973 10 30 ADEEMO CCSCC[N@@H+](C)[C@@H](C)CC#N 129993275 343859814 /nfs/dbraw/zinc/85/98/14/343859814.db2.gz HLAVBZQMTFLCCE-VIFPVBQESA-N 1 1 186.324 1.973 10 30 ADEEMO CCSCC[N@H+](C)[C@H](C)CC#N 129993507 343860068 /nfs/dbraw/zinc/86/00/68/343860068.db2.gz HLAVBZQMTFLCCE-SECBINFHSA-N 1 1 186.324 1.973 10 30 ADEEMO CCSCC[N@@H+](C)[C@H](C)CC#N 129993507 343860072 /nfs/dbraw/zinc/86/00/72/343860072.db2.gz HLAVBZQMTFLCCE-SECBINFHSA-N 1 1 186.324 1.973 10 30 ADEEMO C#C[C@@H]([NH2+]C)c1ccc(C)o1 130038579 343860487 /nfs/dbraw/zinc/86/04/87/343860487.db2.gz KJRDVPXKVOVWAX-MRVPVSSYSA-N 1 1 149.193 1.482 10 30 ADEEMO C#C[C@H]([NH2+]C)c1ccc(C)o1 130038798 343860514 /nfs/dbraw/zinc/86/05/14/343860514.db2.gz KJRDVPXKVOVWAX-QMMMGPOBSA-N 1 1 149.193 1.482 10 30 ADEEMO C#C[C@@H]([NH2+]C)c1cccc(F)c1F 130090009 343861727 /nfs/dbraw/zinc/86/17/27/343861727.db2.gz AGTVCUXUNMUPOK-SECBINFHSA-N 1 1 181.185 1.859 10 30 ADEEMO C#C[C@H]([NH2+]C)c1cccc(F)c1F 130089763 343861908 /nfs/dbraw/zinc/86/19/08/343861908.db2.gz AGTVCUXUNMUPOK-VIFPVBQESA-N 1 1 181.185 1.859 10 30 ADEEMO Cc1[nH+]ccn1-c1cccnc1C#N 130091280 343861936 /nfs/dbraw/zinc/86/19/36/343861936.db2.gz SRVTVLFDOZRSFR-UHFFFAOYSA-N 1 1 184.202 1.447 10 30 ADEEMO C#C[C@@H]([NH3+])c1ccc(C)o1 130120160 343862479 /nfs/dbraw/zinc/86/24/79/343862479.db2.gz PSAZEMIGEXIFIA-SSDOTTSWSA-N 1 1 135.166 1.221 10 30 ADEEMO C#C[C@H]([NH3+])c1ccc(CC)o1 130132051 343862323 /nfs/dbraw/zinc/86/23/23/343862323.db2.gz VNUOJMPVEMONSS-QMMMGPOBSA-N 1 1 149.193 1.475 10 30 ADEEMO C#C[C@H]([NH3+])c1ccc(C)o1 130120400 343862553 /nfs/dbraw/zinc/86/25/53/343862553.db2.gz PSAZEMIGEXIFIA-ZETCQYMHSA-N 1 1 135.166 1.221 10 30 ADEEMO C#C[C@@H]([NH3+])c1ccc(CC)o1 130131836 343862716 /nfs/dbraw/zinc/86/27/16/343862716.db2.gz VNUOJMPVEMONSS-MRVPVSSYSA-N 1 1 149.193 1.475 10 30 ADEEMO C#C[C@@H]([NH3+])c1sccc1OC 130137546 343863184 /nfs/dbraw/zinc/86/31/84/343863184.db2.gz RGWBAFJIFSARHJ-ZCFIWIBFSA-N 1 1 167.233 1.390 10 30 ADEEMO C#C[C@H]([NH3+])c1sccc1OC 130137750 343863471 /nfs/dbraw/zinc/86/34/71/343863471.db2.gz RGWBAFJIFSARHJ-LURJTMIESA-N 1 1 167.233 1.390 10 30 ADEEMO C#C[C@@H]([NH3+])c1c(F)cc(F)cc1F 130270095 343865729 /nfs/dbraw/zinc/86/57/29/343865729.db2.gz CNMCMVSSDGPMMF-MRVPVSSYSA-N 1 1 185.148 1.737 10 30 ADEEMO C#C[C@H]([NH3+])c1c(F)cc(F)cc1F 130269864 343865737 /nfs/dbraw/zinc/86/57/37/343865737.db2.gz CNMCMVSSDGPMMF-QMMMGPOBSA-N 1 1 185.148 1.737 10 30 ADEEMO C#C[C@H]([NH2+]C)c1ccc(F)c(F)c1F 130252928 343865785 /nfs/dbraw/zinc/86/57/85/343865785.db2.gz QUMFHTJBGGUACC-QMMMGPOBSA-N 1 1 199.175 1.998 10 30 ADEEMO C#C[C@@H]([NH2+]C)c1ccc(F)c(F)c1F 130253137 343865793 /nfs/dbraw/zinc/86/57/93/343865793.db2.gz QUMFHTJBGGUACC-MRVPVSSYSA-N 1 1 199.175 1.998 10 30 ADEEMO C#CC[N@H+](C)C[C@@H]1CCCCC[C@@H]1[NH3+] 130338232 343866692 /nfs/dbraw/zinc/86/66/92/343866692.db2.gz JQPIZNYJSXCECM-RYUDHWBXSA-N 1 1 194.322 1.459 10 30 ADEEMO C#CCN(C)C[C@@H]1CCCCC[C@@H]1[NH3+] 130338232 343866694 /nfs/dbraw/zinc/86/66/94/343866694.db2.gz JQPIZNYJSXCECM-RYUDHWBXSA-N 1 1 194.322 1.459 10 30 ADEEMO C#CC[N@H+](C)C[C@H]1CCCCC[C@@H]1[NH3+] 130338497 343867011 /nfs/dbraw/zinc/86/70/11/343867011.db2.gz JQPIZNYJSXCECM-NEPJUHHUSA-N 1 1 194.322 1.459 10 30 ADEEMO C#CCN(C)C[C@H]1CCCCC[C@@H]1[NH3+] 130338497 343867012 /nfs/dbraw/zinc/86/70/12/343867012.db2.gz JQPIZNYJSXCECM-NEPJUHHUSA-N 1 1 194.322 1.459 10 30 ADEEMO CC#CCN[C@@H]1CC[N@H+](CC)[C@@H](C)C1 131591610 343886486 /nfs/dbraw/zinc/88/64/86/343886486.db2.gz FEMUDFSJKBKUCR-NWDGAFQWSA-N 1 1 194.322 1.472 10 30 ADEEMO CC#CC[NH2+][C@@H]1CCN(CC)[C@@H](C)C1 131591610 343886492 /nfs/dbraw/zinc/88/64/92/343886492.db2.gz FEMUDFSJKBKUCR-NWDGAFQWSA-N 1 1 194.322 1.472 10 30 ADEEMO C[N@H+]1CCc2c(ccc(C#N)c2N)C1 131848280 343889377 /nfs/dbraw/zinc/88/93/77/343889377.db2.gz NESBWWYFVZNWTH-UHFFFAOYSA-N 1 1 187.246 1.128 10 30 ADEEMO O=C[C@@H]1CCC[N@@H+](Cc2ccoc2)C1 132067060 343893139 /nfs/dbraw/zinc/89/31/39/343893139.db2.gz JTDVLOWMBSXBSQ-SNVBAGLBSA-N 1 1 193.246 1.691 10 30 ADEEMO O=C[C@H]1CCC[N@@H+](Cc2ccoc2)C1 132066849 343893215 /nfs/dbraw/zinc/89/32/15/343893215.db2.gz JTDVLOWMBSXBSQ-JTQLQIEISA-N 1 1 193.246 1.691 10 30 ADEEMO C[C@H]1CC[N@@H+](CCC=O)C[C@@H]1C 132061407 343893304 /nfs/dbraw/zinc/89/33/04/343893304.db2.gz AVSBNDAEILJDDW-UWVGGRQHSA-N 1 1 169.268 1.553 10 30 ADEEMO C[C@@H]1CC[N@@H+](CCC=O)C[C@@H]1C 132061176 343893520 /nfs/dbraw/zinc/89/35/20/343893520.db2.gz AVSBNDAEILJDDW-ZJUUUORDSA-N 1 1 169.268 1.553 10 30 ADEEMO C[C@H]1SCC[N@@H+](C[C@@H]2CO2)[C@@H]1C 132336022 343896770 /nfs/dbraw/zinc/89/67/70/343896770.db2.gz NIQMRXBUSOOOCA-IWSPIJDZSA-N 1 1 187.308 1.211 10 30 ADEEMO C[C@H]1[C@@H](C)SCC[N@H+]1C[C@@H]1CO1 132336203 343896776 /nfs/dbraw/zinc/89/67/76/343896776.db2.gz NIQMRXBUSOOOCA-DJLDLDEBSA-N 1 1 187.308 1.211 10 30 ADEEMO C[C@@H]1SCC[N@@H+](C[C@@H]2CO2)[C@@H]1C 132335638 343897027 /nfs/dbraw/zinc/89/70/27/343897027.db2.gz NIQMRXBUSOOOCA-HRDYMLBCSA-N 1 1 187.308 1.211 10 30 ADEEMO C[C@H]1[C@@H](C)SCC[N@@H+]1CC=O 132572400 343900658 /nfs/dbraw/zinc/90/06/58/343900658.db2.gz MOVJOJOYBVGHSR-JGVFFNPUSA-N 1 1 173.281 1.011 10 30 ADEEMO C[C@H]1[C@@H](C)SCC[N@H+]1CC=O 132572400 343900659 /nfs/dbraw/zinc/90/06/59/343900659.db2.gz MOVJOJOYBVGHSR-JGVFFNPUSA-N 1 1 173.281 1.011 10 30 ADEEMO C[C@@H]1SCC[N@H+](CC=O)[C@@H]1C 132571768 343900667 /nfs/dbraw/zinc/90/06/67/343900667.db2.gz MOVJOJOYBVGHSR-SFYZADRCSA-N 1 1 173.281 1.011 10 30 ADEEMO C[C@@H]1SCC[N@@H+](CC=O)[C@@H]1C 132571768 343900668 /nfs/dbraw/zinc/90/06/68/343900668.db2.gz MOVJOJOYBVGHSR-SFYZADRCSA-N 1 1 173.281 1.011 10 30 ADEEMO C[C@H]1SCC[N@H+](CC=O)[C@@H]1C 132572166 343900706 /nfs/dbraw/zinc/90/07/06/343900706.db2.gz MOVJOJOYBVGHSR-HTQZYQBOSA-N 1 1 173.281 1.011 10 30 ADEEMO C[C@H]1SCC[N@@H+](CC=O)[C@@H]1C 132572166 343900707 /nfs/dbraw/zinc/90/07/07/343900707.db2.gz MOVJOJOYBVGHSR-HTQZYQBOSA-N 1 1 173.281 1.011 10 30 ADEEMO C[C@H]1SCC[N@@H+](CCC=O)[C@@H]1C 132578078 343900728 /nfs/dbraw/zinc/90/07/28/343900728.db2.gz NINIRTAKRDUNFJ-RKDXNWHRSA-N 1 1 187.308 1.401 10 30 ADEEMO C[C@@H]1SCC[N@@H+](CCC=O)[C@@H]1C 132577661 343900913 /nfs/dbraw/zinc/90/09/13/343900913.db2.gz NINIRTAKRDUNFJ-BDAKNGLRSA-N 1 1 187.308 1.401 10 30 ADEEMO C[C@@H]1SCC[N@@H+](CCC=O)[C@H]1C 132577865 343900930 /nfs/dbraw/zinc/90/09/30/343900930.db2.gz NINIRTAKRDUNFJ-IUCAKERBSA-N 1 1 187.308 1.401 10 30 ADEEMO C[C@H]1[C@@H](C)SCC[N@H+]1CCC=O 132578297 343900955 /nfs/dbraw/zinc/90/09/55/343900955.db2.gz NINIRTAKRDUNFJ-DTWKUNHWSA-N 1 1 187.308 1.401 10 30 ADEEMO C[C@@H]1SCC[N@H+](CC=O)[C@H]1C 132571963 343900998 /nfs/dbraw/zinc/90/09/98/343900998.db2.gz MOVJOJOYBVGHSR-YUMQZZPRSA-N 1 1 173.281 1.011 10 30 ADEEMO C[C@@H]1SCC[N@@H+](CC=O)[C@H]1C 132571963 343900999 /nfs/dbraw/zinc/90/09/99/343900999.db2.gz MOVJOJOYBVGHSR-YUMQZZPRSA-N 1 1 173.281 1.011 10 30 ADEEMO C=C(C)[C@@H]([NH3+])c1ncc(C)cn1 132657345 343901866 /nfs/dbraw/zinc/90/18/66/343901866.db2.gz WIXVHEKQYASENU-MRVPVSSYSA-N 1 1 163.224 1.361 10 30 ADEEMO C=C[C@@H]([NH2+]C)c1ncc(C)cn1 132670299 343902413 /nfs/dbraw/zinc/90/24/13/343902413.db2.gz BTKHSQLNYXKZPQ-MRVPVSSYSA-N 1 1 163.224 1.232 10 30 ADEEMO CC#CC[C@@H]([NH2+]C)c1ncc(C)cn1 132677578 343902549 /nfs/dbraw/zinc/90/25/49/343902549.db2.gz RLLJZOYYCAJQDJ-SNVBAGLBSA-N 1 1 189.262 1.459 10 30 ADEEMO CC#CC[C@H]([NH2+]C)c1ncc(C)cn1 132677381 343902555 /nfs/dbraw/zinc/90/25/55/343902555.db2.gz RLLJZOYYCAJQDJ-JTQLQIEISA-N 1 1 189.262 1.459 10 30 ADEEMO C=C[C@H]([NH2+]C)c1ncc(C)cn1 132670486 343902643 /nfs/dbraw/zinc/90/26/43/343902643.db2.gz BTKHSQLNYXKZPQ-QMMMGPOBSA-N 1 1 163.224 1.232 10 30 ADEEMO C[N@@H+](CCCC#N)[C@H]1CCOC1 132814798 343904731 /nfs/dbraw/zinc/90/47/31/343904731.db2.gz GLPREGKWFARKCG-VIFPVBQESA-N 1 1 168.240 1.011 10 30 ADEEMO C[N@@H+](CCCC#N)[C@@H]1CCOC1 132814544 343904688 /nfs/dbraw/zinc/90/46/88/343904688.db2.gz GLPREGKWFARKCG-SECBINFHSA-N 1 1 168.240 1.011 10 30 ADEEMO C[C@H]1[C@@H](C)SCC[N@H+]1CCS 132801264 343904749 /nfs/dbraw/zinc/90/47/49/343904749.db2.gz RYNWZPICTRSUHW-JGVFFNPUSA-N 1 1 191.365 1.742 10 30 ADEEMO C[C@H]1SCC[N@@H+](CCS)[C@@H]1C 132801079 343904760 /nfs/dbraw/zinc/90/47/60/343904760.db2.gz RYNWZPICTRSUHW-HTQZYQBOSA-N 1 1 191.365 1.742 10 30 ADEEMO C[C@@H]1SCC[N@@H+](CCS)[C@@H]1C 132800676 343904788 /nfs/dbraw/zinc/90/47/88/343904788.db2.gz RYNWZPICTRSUHW-SFYZADRCSA-N 1 1 191.365 1.742 10 30 ADEEMO C[C@@H]1SCC[N@@H+](CCS)[C@H]1C 132800875 343904881 /nfs/dbraw/zinc/90/48/81/343904881.db2.gz RYNWZPICTRSUHW-YUMQZZPRSA-N 1 1 191.365 1.742 10 30 ADEEMO CC[C@@H]1C[N@H+](CC=O)CCS1 133117130 343911935 /nfs/dbraw/zinc/91/19/35/343911935.db2.gz KLSHBMOHGIYYFA-MRVPVSSYSA-N 1 1 173.281 1.013 10 30 ADEEMO CC[C@@H]1C[N@@H+](CC=O)CCS1 133117130 343911936 /nfs/dbraw/zinc/91/19/36/343911936.db2.gz KLSHBMOHGIYYFA-MRVPVSSYSA-N 1 1 173.281 1.013 10 30 ADEEMO CC[C@H]1C[N@H+](CC=O)CCS1 133117320 343911953 /nfs/dbraw/zinc/91/19/53/343911953.db2.gz KLSHBMOHGIYYFA-QMMMGPOBSA-N 1 1 173.281 1.013 10 30 ADEEMO CC[C@H]1C[N@@H+](CC=O)CCS1 133117320 343911954 /nfs/dbraw/zinc/91/19/54/343911954.db2.gz KLSHBMOHGIYYFA-QMMMGPOBSA-N 1 1 173.281 1.013 10 30 ADEEMO CC[C@@H]1C[N@@H+](CCS)CCS1 133248964 343913672 /nfs/dbraw/zinc/91/36/72/343913672.db2.gz YOPFGIDIVNLZTF-MRVPVSSYSA-N 1 1 191.365 1.744 10 30 ADEEMO CC[C@H]1C[N@@H+](CCS)CCS1 133249157 343913746 /nfs/dbraw/zinc/91/37/46/343913746.db2.gz YOPFGIDIVNLZTF-QMMMGPOBSA-N 1 1 191.365 1.744 10 30 ADEEMO C=CC[C@@]1(O)CC[N@@H+](C)[C@@H](C)C1 133459157 343919229 /nfs/dbraw/zinc/91/92/29/343919229.db2.gz JHUWEEDGXHMVNL-VHSXEESVSA-N 1 1 169.268 1.408 10 30 ADEEMO C=CC[C@]1(O)CC[N@@H+](C)[C@@H](C)C1 133458757 343919271 /nfs/dbraw/zinc/91/92/71/343919271.db2.gz JHUWEEDGXHMVNL-UWVGGRQHSA-N 1 1 169.268 1.408 10 30 ADEEMO C=CC[C@@]1(O)CC[N@@H+](C)[C@H](C)C1 133458958 343919339 /nfs/dbraw/zinc/91/93/39/343919339.db2.gz JHUWEEDGXHMVNL-NXEZZACHSA-N 1 1 169.268 1.408 10 30 ADEEMO C=CC[C@]1(O)CC[N@@H+](C)[C@H](C)C1 133458555 343919467 /nfs/dbraw/zinc/91/94/67/343919467.db2.gz JHUWEEDGXHMVNL-ZJUUUORDSA-N 1 1 169.268 1.408 10 30 ADEEMO C#C[C@H]([NH3+])c1ncccc1CC 133500160 343920283 /nfs/dbraw/zinc/92/02/83/343920283.db2.gz GTLQDGUUNZCESB-VIFPVBQESA-N 1 1 160.220 1.277 10 30 ADEEMO C#C[C@@H]([NH3+])c1ncccc1CC 133499924 343920290 /nfs/dbraw/zinc/92/02/90/343920290.db2.gz GTLQDGUUNZCESB-SECBINFHSA-N 1 1 160.220 1.277 10 30 ADEEMO O=CC[N@H+]1CC[C@@H]2CCCC[C@@H]21 133552948 343922025 /nfs/dbraw/zinc/92/20/25/343922025.db2.gz ZIBYGKXVCBRCOU-UWVGGRQHSA-N 1 1 167.252 1.450 10 30 ADEEMO O=CC[N@H+]1CC[C@@H]2CCCC[C@H]21 133552766 343922204 /nfs/dbraw/zinc/92/22/04/343922204.db2.gz ZIBYGKXVCBRCOU-VHSXEESVSA-N 1 1 167.252 1.450 10 30 ADEEMO C[C@@H]1OCC[C@@H]1[N@@H+](C)CCS 133578699 343922569 /nfs/dbraw/zinc/92/25/69/343922569.db2.gz CIJSKOKESAVBMU-YUMQZZPRSA-N 1 1 175.297 1.025 10 30 ADEEMO C[C@H]1OCC[C@H]1[N@@H+](C)CCS 133578094 343922604 /nfs/dbraw/zinc/92/26/04/343922604.db2.gz CIJSKOKESAVBMU-HTQZYQBOSA-N 1 1 175.297 1.025 10 30 ADEEMO C[C@@H]1OCC[C@H]1[N@@H+](C)CCS 133578309 343922738 /nfs/dbraw/zinc/92/27/38/343922738.db2.gz CIJSKOKESAVBMU-JGVFFNPUSA-N 1 1 175.297 1.025 10 30 ADEEMO C#CC[NH2+][C@@H](C)c1ccc(F)cn1 133775290 343926611 /nfs/dbraw/zinc/92/66/11/343926611.db2.gz TXFYGMRGUZCVCS-QMMMGPOBSA-N 1 1 178.210 1.505 10 30 ADEEMO C#CC[NH2+][C@H](C)c1ccc(F)cn1 133775465 343926755 /nfs/dbraw/zinc/92/67/55/343926755.db2.gz TXFYGMRGUZCVCS-MRVPVSSYSA-N 1 1 178.210 1.505 10 30 ADEEMO C#CCC[N@H+](C)[C@@H]1CCO[C@H]1C 133811204 343927613 /nfs/dbraw/zinc/92/76/13/343927613.db2.gz JMVMFXJSMLACLH-VHSXEESVSA-N 1 1 167.252 1.119 10 30 ADEEMO C#CCC[N@H+](C)[C@H]1CCO[C@H]1C 133811600 343927637 /nfs/dbraw/zinc/92/76/37/343927637.db2.gz JMVMFXJSMLACLH-UWVGGRQHSA-N 1 1 167.252 1.119 10 30 ADEEMO C#CCC[N@H+](C)[C@@H]1CCO[C@@H]1C 133810996 343927663 /nfs/dbraw/zinc/92/76/63/343927663.db2.gz JMVMFXJSMLACLH-NXEZZACHSA-N 1 1 167.252 1.119 10 30 ADEEMO C[C@H]1CCC[C@@H](C)[N@H+]1C[C@@H](N)C#N 134211747 343936941 /nfs/dbraw/zinc/93/69/41/343936941.db2.gz LEYOFPIXFOTQTI-AEJSXWLSSA-N 1 1 181.283 1.100 10 30 ADEEMO C[C@H]1CCC[C@@H](C)[N@H+]1CC[C@@H](N)C#N 134212883 343936779 /nfs/dbraw/zinc/93/67/79/343936779.db2.gz RGNDTICZFBTTRG-OUAUKWLOSA-N 1 1 195.310 1.490 10 30 ADEEMO C[C@H]1CCC[C@@H](C)[N@@H+]1C[C@@H](N)C#N 134211747 343936938 /nfs/dbraw/zinc/93/69/38/343936938.db2.gz LEYOFPIXFOTQTI-AEJSXWLSSA-N 1 1 181.283 1.100 10 30 ADEEMO C=C(C)[C@@]1(O)CCC[N@H+](C)C1 134350280 343941164 /nfs/dbraw/zinc/94/11/64/343941164.db2.gz LSPPAJAXBBKGSE-SECBINFHSA-N 1 1 155.241 1.019 10 30 ADEEMO C=C(C)[C@]1(O)CCC[N@H+](C)C1 134350260 343941218 /nfs/dbraw/zinc/94/12/18/343941218.db2.gz LSPPAJAXBBKGSE-VIFPVBQESA-N 1 1 155.241 1.019 10 30 ADEEMO CC[C@H]1CCCCC[N@H+]1C[C@H](N)C#N 134374322 343941899 /nfs/dbraw/zinc/94/18/99/343941899.db2.gz MDEBZPNMZMTUPM-MNOVXSKESA-N 1 1 195.310 1.492 10 30 ADEEMO C[C@@H]1OCC[C@H]1[N@@H+](C)[C@@H](C)CC#N 134694253 343948385 /nfs/dbraw/zinc/94/83/85/343948385.db2.gz FBLJXTSHQXIMEE-LPEHRKFASA-N 1 1 182.267 1.398 10 30 ADEEMO C[C@@H]1OCC[C@H]1[N@H+](C)[C@@H](C)CC#N 134694253 343948387 /nfs/dbraw/zinc/94/83/87/343948387.db2.gz FBLJXTSHQXIMEE-LPEHRKFASA-N 1 1 182.267 1.398 10 30 ADEEMO C[C@@H]1OCC[C@@H]1[N@@H+](C)[C@@H](C)CC#N 134694292 343948552 /nfs/dbraw/zinc/94/85/52/343948552.db2.gz FBLJXTSHQXIMEE-GUBZILKMSA-N 1 1 182.267 1.398 10 30 ADEEMO C[C@@H]1OCC[C@@H]1[N@H+](C)[C@@H](C)CC#N 134694292 343948555 /nfs/dbraw/zinc/94/85/55/343948555.db2.gz FBLJXTSHQXIMEE-GUBZILKMSA-N 1 1 182.267 1.398 10 30 ADEEMO C1CC[C@H]2[C@@H](C1)CC[N@@H+]2C[C@@H]1CO1 134818262 343949646 /nfs/dbraw/zinc/94/96/46/343949646.db2.gz MJNFJSGETBCRKQ-AXFHLTTASA-N 1 1 181.279 1.650 10 30 ADEEMO C1CC[C@@H]2CC[N@H+](C[C@@H]3CO3)[C@H]2C1 134818299 343949788 /nfs/dbraw/zinc/94/97/88/343949788.db2.gz MJNFJSGETBCRKQ-MXWKQRLJSA-N 1 1 181.279 1.650 10 30 ADEEMO C1CC[C@@H]2[C@H](C1)CC[N@@H+]2C[C@@H]1CO1 134818282 343949860 /nfs/dbraw/zinc/94/98/60/343949860.db2.gz MJNFJSGETBCRKQ-GMTAPVOTSA-N 1 1 181.279 1.650 10 30 ADEEMO C#CCN(C)C[C@]1(C)CCC[C@@H]1[NH3+] 134959957 343951607 /nfs/dbraw/zinc/95/16/07/343951607.db2.gz ZYZASVWTLCZBBZ-QWRGUYRKSA-N 1 1 180.295 1.069 10 30 ADEEMO C#CCN(C)C[C@@]1(C)CCC[C@@H]1[NH3+] 134959937 343951749 /nfs/dbraw/zinc/95/17/49/343951749.db2.gz ZYZASVWTLCZBBZ-WDEREUQCSA-N 1 1 180.295 1.069 10 30 ADEEMO C#CCN(C)C[C@]1(C)CCC[C@H]1[NH3+] 134959993 343951930 /nfs/dbraw/zinc/95/19/30/343951930.db2.gz ZYZASVWTLCZBBZ-MNOVXSKESA-N 1 1 180.295 1.069 10 30 ADEEMO C#CCN(C)C[C@@]1(C)CCC[C@H]1[NH3+] 134959975 343952054 /nfs/dbraw/zinc/95/20/54/343952054.db2.gz ZYZASVWTLCZBBZ-GHMZBOCLSA-N 1 1 180.295 1.069 10 30 ADEEMO C[C@H]1CC[N@@H+](CC=O)C[C@@H]1C 135202641 343957174 /nfs/dbraw/zinc/95/71/74/343957174.db2.gz CWHKSBTZBJECPT-IUCAKERBSA-N 1 1 155.241 1.163 10 30 ADEEMO C[C@@H]1CC[N@@H+](C[C@@H]2CO2)C[C@@H]1C 135198021 343957244 /nfs/dbraw/zinc/95/72/44/343957244.db2.gz TYFJYXOHAABSOU-KXUCPTDWSA-N 1 1 169.268 1.363 10 30 ADEEMO CC1(C)C[N@@H+](C[C@@H]2CO2)CCS1 135212433 343957256 /nfs/dbraw/zinc/95/72/56/343957256.db2.gz DIKPPQNOKLYZNG-MRVPVSSYSA-N 1 1 187.308 1.213 10 30 ADEEMO C[C@H]1CC[N@@H+](C[C@@H]2CO2)C[C@@H]1C 135198036 343957269 /nfs/dbraw/zinc/95/72/69/343957269.db2.gz TYFJYXOHAABSOU-LPEHRKFASA-N 1 1 169.268 1.363 10 30 ADEEMO C[C@@H]1CC[N@@H+](CC=O)C[C@@H]1C 135202621 343957310 /nfs/dbraw/zinc/95/73/10/343957310.db2.gz CWHKSBTZBJECPT-BDAKNGLRSA-N 1 1 155.241 1.163 10 30 ADEEMO CC1(C)C[N@H+](CC=O)CCS1 135214764 343957398 /nfs/dbraw/zinc/95/73/98/343957398.db2.gz BJJCBTJZXBICAS-UHFFFAOYSA-N 1 1 173.281 1.013 10 30 ADEEMO CC1(C)C[N@@H+](CC=O)CCS1 135214764 343957399 /nfs/dbraw/zinc/95/73/99/343957399.db2.gz BJJCBTJZXBICAS-UHFFFAOYSA-N 1 1 173.281 1.013 10 30 ADEEMO CC1(C)C[N@@H+](C[C@H]2CO2)CCS1 135212452 343957462 /nfs/dbraw/zinc/95/74/62/343957462.db2.gz DIKPPQNOKLYZNG-QMMMGPOBSA-N 1 1 187.308 1.213 10 30 ADEEMO C#CC(=O)[C@](C)([NH3+])c1ccccc1 135341887 343958725 /nfs/dbraw/zinc/95/87/25/343958725.db2.gz JQXOFXKGLDWJMD-LLVKDONJSA-N 1 1 173.215 1.063 10 30 ADEEMO C#CC(=O)[C@@](C)([NH3+])c1ccccc1 135341907 343958804 /nfs/dbraw/zinc/95/88/04/343958804.db2.gz JQXOFXKGLDWJMD-NSHDSACASA-N 1 1 173.215 1.063 10 30 ADEEMO CC(=O)/C=C1\C[C@@H](C)[N@H+](C2CC2)C1 135379498 343960589 /nfs/dbraw/zinc/96/05/89/343960589.db2.gz IMKQHLXXKWOOAL-VSBFRKNKSA-N 1 1 179.263 1.758 10 30 ADEEMO CC(=O)/C=C1\C[C@H](C)[N@H+](C2CC2)C1 135379514 343960674 /nfs/dbraw/zinc/96/06/74/343960674.db2.gz IMKQHLXXKWOOAL-QMEHYBMDSA-N 1 1 179.263 1.758 10 30 ADEEMO C=C(C)C(=O)[C@H]([NH3+])c1ccccc1 135403886 343961548 /nfs/dbraw/zinc/96/15/48/343961548.db2.gz CMDUUIWXSDCGJU-SNVBAGLBSA-N 1 1 175.231 1.832 10 30 ADEEMO C=CC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 135403252 343961740 /nfs/dbraw/zinc/96/17/40/343961740.db2.gz BSCRYIVHFBCBGU-NSHDSACASA-N 1 1 187.242 1.456 10 30 ADEEMO C#C[C@H]([NH2+]C)c1ccncc1F 135855264 343969013 /nfs/dbraw/zinc/96/90/13/343969013.db2.gz XRJBWOWSFRBUJP-VIFPVBQESA-N 1 1 164.183 1.114 10 30 ADEEMO C#C[C@@H]([NH2+]C)c1ccncc1F 135855301 343969040 /nfs/dbraw/zinc/96/90/40/343969040.db2.gz XRJBWOWSFRBUJP-SECBINFHSA-N 1 1 164.183 1.114 10 30 ADEEMO CC(=O)/C=C1\CC[N@H+](C)C[C@H]1C 136264125 343978597 /nfs/dbraw/zinc/97/85/97/343978597.db2.gz CCDMGECNNJCXRK-VSBFRKNKSA-N 1 1 167.252 1.473 10 30 ADEEMO CC[C@@H]1CC[C@@H](C)[N@H+]1C[C@](C)(N)C#N 136473810 343980987 /nfs/dbraw/zinc/98/09/87/343980987.db2.gz UNDRLNVLSGAELO-GMTAPVOTSA-N 1 1 195.310 1.490 10 30 ADEEMO CC[C@@H]1CC[C@H](C)[N@H+]1C[C@](C)(N)C#N 136473749 343981172 /nfs/dbraw/zinc/98/11/72/343981172.db2.gz UNDRLNVLSGAELO-HBNTYKKESA-N 1 1 195.310 1.490 10 30 ADEEMO CC(=[NH2+])NN=C(C)c1cccs1 138067149 343988176 /nfs/dbraw/zinc/98/81/76/343988176.db2.gz SJBVKIPACXHXEJ-POHAHGRESA-N 1 1 181.264 1.849 10 30 ADEEMO N#C[C@@H]1CC[N@H+]2CCC[C@@H]2C1 141651956 344007189 /nfs/dbraw/zinc/00/71/89/344007189.db2.gz FMJFHKPQFBKCKZ-RKDXNWHRSA-N 1 1 150.225 1.384 10 30 ADEEMO N#C[C@H]1CC[N@H+]2CCC[C@@H]2C1 141652139 344007352 /nfs/dbraw/zinc/00/73/52/344007352.db2.gz FMJFHKPQFBKCKZ-DTWKUNHWSA-N 1 1 150.225 1.384 10 30 ADEEMO CC[C@@]1(C#N)CCC[NH2+]1 144311767 344026191 /nfs/dbraw/zinc/02/61/91/344026191.db2.gz RBIIISKPOXNLGA-ZETCQYMHSA-N 1 1 124.187 1.042 10 30 ADEEMO CC[C@]1(C#N)CCC[NH2+]1 144311573 344026249 /nfs/dbraw/zinc/02/62/49/344026249.db2.gz RBIIISKPOXNLGA-SSDOTTSWSA-N 1 1 124.187 1.042 10 30 ADEEMO C=C(C)[C@@]1(O)C[C@@H](C)[N@H+](C)C1 148153974 344049316 /nfs/dbraw/zinc/04/93/16/344049316.db2.gz QYDFORKETVXWHB-RKDXNWHRSA-N 1 1 155.241 1.018 10 30 ADEEMO C=C(C)[C@]1(O)C[C@@H](C)[N@H+](C)C1 148154430 344049367 /nfs/dbraw/zinc/04/93/67/344049367.db2.gz QYDFORKETVXWHB-BDAKNGLRSA-N 1 1 155.241 1.018 10 30 ADEEMO C=C(C)[C@@]1(O)C[C@H](C)[N@H+](C)C1 148154206 344049413 /nfs/dbraw/zinc/04/94/13/344049413.db2.gz QYDFORKETVXWHB-DTWKUNHWSA-N 1 1 155.241 1.018 10 30 ADEEMO C=C(C)[C@]1(O)C[C@H](C)[N@H+](C)C1 148154651 344049542 /nfs/dbraw/zinc/04/95/42/344049542.db2.gz QYDFORKETVXWHB-IUCAKERBSA-N 1 1 155.241 1.018 10 30 ADEEMO C=CCCc1[nH+]ccn1C 148303411 344052739 /nfs/dbraw/zinc/05/27/39/344052739.db2.gz KSXCUKZKSKDORJ-UHFFFAOYSA-N 1 1 136.198 1.539 10 30 ADEEMO C=CCN1C[C@@H](C)[N@H+](C)C[C@@H]1C 149727205 344070062 /nfs/dbraw/zinc/07/00/62/344070062.db2.gz BQAXEPORYQXSOZ-ZJUUUORDSA-N 1 1 168.284 1.197 10 30 ADEEMO C=CC[N@H+]1C[C@@H](C)N(C)C[C@@H]1C 149727205 344070066 /nfs/dbraw/zinc/07/00/66/344070066.db2.gz BQAXEPORYQXSOZ-ZJUUUORDSA-N 1 1 168.284 1.197 10 30 ADEEMO C=CC[N@@H+]1C[C@@H](C)N(C)C[C@@H]1C 149727205 344070069 /nfs/dbraw/zinc/07/00/69/344070069.db2.gz BQAXEPORYQXSOZ-ZJUUUORDSA-N 1 1 168.284 1.197 10 30 ADEEMO C=CCN1C[C@H](C)[N@H+](C)C[C@@H]1C 149727440 344070465 /nfs/dbraw/zinc/07/04/65/344070465.db2.gz BQAXEPORYQXSOZ-UWVGGRQHSA-N 1 1 168.284 1.197 10 30 ADEEMO C=CC[N@H+]1C[C@H](C)N(C)C[C@@H]1C 149727440 344070468 /nfs/dbraw/zinc/07/04/68/344070468.db2.gz BQAXEPORYQXSOZ-UWVGGRQHSA-N 1 1 168.284 1.197 10 30 ADEEMO C=CC[N@@H+]1C[C@H](C)N(C)C[C@@H]1C 149727440 344070472 /nfs/dbraw/zinc/07/04/72/344070472.db2.gz BQAXEPORYQXSOZ-UWVGGRQHSA-N 1 1 168.284 1.197 10 30 ADEEMO N#C[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 149878789 344072653 /nfs/dbraw/zinc/07/26/53/344072653.db2.gz KBEPDSPHSYTPPZ-CIUDSAMLSA-N 1 1 150.225 1.431 10 30 ADEEMO C[C@]([NH3+])(C#N)CC1CC1 150147847 344077054 /nfs/dbraw/zinc/07/70/54/344077054.db2.gz ZPFIVSUGQLQPLA-SSDOTTSWSA-N 1 1 124.187 1.027 10 30 ADEEMO C[C@@]([NH3+])(C#N)CC1CC1 150148082 344077325 /nfs/dbraw/zinc/07/73/25/344077325.db2.gz ZPFIVSUGQLQPLA-ZETCQYMHSA-N 1 1 124.187 1.027 10 30 ADEEMO C=CC[NH2+][C@H]1CCN(C)[C@H](C)C1 155775781 344080091 /nfs/dbraw/zinc/08/00/91/344080091.db2.gz NCIUZVLHWMOGSL-ZJUUUORDSA-N 1 1 168.284 1.245 10 30 ADEEMO C=CC[NH2+][C@@H]1CCN(C)[C@@H](C)C1 155775689 344080187 /nfs/dbraw/zinc/08/01/87/344080187.db2.gz NCIUZVLHWMOGSL-VHSXEESVSA-N 1 1 168.284 1.245 10 30 ADEEMO C=CC[NH2+][C@H]1CCN(C)[C@@H](C)C1 155775860 344080362 /nfs/dbraw/zinc/08/03/62/344080362.db2.gz NCIUZVLHWMOGSL-UWVGGRQHSA-N 1 1 168.284 1.245 10 30 ADEEMO CCCN[C@@]1(C#N)CC[N@@H+](C)[C@H](C)C1 156428803 344086745 /nfs/dbraw/zinc/08/67/45/344086745.db2.gz SRRQWWLDQOGVQP-MNOVXSKESA-N 1 1 195.310 1.362 10 30 ADEEMO CCN[C@@]1(C#N)CC[N@H+]2CCC[C@@H]2C1 156428564 344086881 /nfs/dbraw/zinc/08/68/81/344086881.db2.gz RCFHWRUONMJVDD-MNOVXSKESA-N 1 1 193.294 1.116 10 30 ADEEMO CCN[C@]1(C#N)CC[N@H+]2CCC[C@@H]2C1 156428440 344086903 /nfs/dbraw/zinc/08/69/03/344086903.db2.gz RCFHWRUONMJVDD-GHMZBOCLSA-N 1 1 193.294 1.116 10 30 ADEEMO CCCN[C@]1(C#N)CC[N@@H+](C)[C@H](C)C1 156428698 344086976 /nfs/dbraw/zinc/08/69/76/344086976.db2.gz SRRQWWLDQOGVQP-GHMZBOCLSA-N 1 1 195.310 1.362 10 30 ADEEMO N#C[C@@H]1CC[N@H+]2CCC[C@H]2C1 156656030 344093285 /nfs/dbraw/zinc/09/32/85/344093285.db2.gz FMJFHKPQFBKCKZ-BDAKNGLRSA-N 1 1 150.225 1.384 10 30 ADEEMO N#C[C@H]1CC[N@H+]2CCC[C@H]2C1 156656168 344093467 /nfs/dbraw/zinc/09/34/67/344093467.db2.gz FMJFHKPQFBKCKZ-IUCAKERBSA-N 1 1 150.225 1.384 10 30 ADEEMO C=C(C)[C@@]1(O)CC[N@@H+](C)[C@@H](C)C1 156721696 344094619 /nfs/dbraw/zinc/09/46/19/344094619.db2.gz JQNPWRTUIMTAQR-VHSXEESVSA-N 1 1 169.268 1.408 10 30 ADEEMO C#CCC[C@]1(O)CC[N@@H+](C)[C@H](C)C1 156724970 344094695 /nfs/dbraw/zinc/09/46/95/344094695.db2.gz HMVIPDOHZIQEIZ-MNOVXSKESA-N 1 1 181.279 1.245 10 30 ADEEMO C#CCC[C@@]1(O)CC[N@@H+](C)[C@@H](C)C1 156725423 344094855 /nfs/dbraw/zinc/09/48/55/344094855.db2.gz HMVIPDOHZIQEIZ-WDEREUQCSA-N 1 1 181.279 1.245 10 30 ADEEMO C=C[C@H](C)[N@H+]1CC[C@H]([C@@H](C)O)C1 156862630 344096254 /nfs/dbraw/zinc/09/62/54/344096254.db2.gz OFSZLRMLEJPIAS-AEJSXWLSSA-N 1 1 169.268 1.264 10 30 ADEEMO C#CCC[C@]1(O)CC[N@H+]2CCC[C@@H]2C1 156850234 344096295 /nfs/dbraw/zinc/09/62/95/344096295.db2.gz MVULEKGTLMRONQ-NEPJUHHUSA-N 1 1 193.290 1.389 10 30 ADEEMO C#CCC[C@@]1(O)CC[N@H+]2CCC[C@@H]2C1 156850378 344096379 /nfs/dbraw/zinc/09/63/79/344096379.db2.gz MVULEKGTLMRONQ-VXGBXAGGSA-N 1 1 193.290 1.389 10 30 ADEEMO C=C(C)[C@@]1(O)CC[N@H+]2CCC[C@@H]2C1 156847895 344096545 /nfs/dbraw/zinc/09/65/45/344096545.db2.gz YNLIMBRCAFQPFL-GHMZBOCLSA-N 1 1 181.279 1.552 10 30 ADEEMO C=C(C)[C@]1(O)CC[N@H+]2CCC[C@@H]2C1 156847737 344096764 /nfs/dbraw/zinc/09/67/64/344096764.db2.gz YNLIMBRCAFQPFL-MNOVXSKESA-N 1 1 181.279 1.552 10 30 ADEEMO CN(C)[C@@]1(C#N)CC[N@H+]2CCC[C@@H]2C1 156935368 344097721 /nfs/dbraw/zinc/09/77/21/344097721.db2.gz IUCODGGRJDBISU-MNOVXSKESA-N 1 1 193.294 1.069 10 30 ADEEMO CN(C)[C@]1(C#N)CC[N@H+]2CCC[C@@H]2C1 156935226 344097820 /nfs/dbraw/zinc/09/78/20/344097820.db2.gz IUCODGGRJDBISU-GHMZBOCLSA-N 1 1 193.294 1.069 10 30 ADEEMO CC(=O)/C=C1\CC[N@H+](C(C)C)C1 157309983 344102875 /nfs/dbraw/zinc/10/28/75/344102875.db2.gz VWKJUGMCWLTYMH-UXBLZVDNSA-N 1 1 167.252 1.616 10 30 ADEEMO CC(=O)/C=C1\C[C@H](C)[N@H+](C)C1 157301212 344102926 /nfs/dbraw/zinc/10/29/26/344102926.db2.gz QXVGEOSYCVOFBZ-JGESFRBXSA-N 1 1 153.225 1.226 10 30 ADEEMO CC(=O)/C=C1/CC[N@H+]2CCC[C@@H]12 157301686 344103261 /nfs/dbraw/zinc/10/32/61/344103261.db2.gz QANMVPXNIBKEPZ-RNKPRXRFSA-N 1 1 165.236 1.370 10 30 ADEEMO CC(=O)/C=C1\CCC[N@H+](C)CC1 157308440 344103093 /nfs/dbraw/zinc/10/30/93/344103093.db2.gz AJDHWXHINYDSRH-CSKARUKUSA-N 1 1 167.252 1.618 10 30 ADEEMO CC(=O)/C=C1/CC[N@H+]2CCC[C@H]12 157301554 344103253 /nfs/dbraw/zinc/10/32/53/344103253.db2.gz QANMVPXNIBKEPZ-UJICNMFASA-N 1 1 165.236 1.370 10 30 ADEEMO CC(=O)/C=C1/CC[N@H+](C2CC2)C1 157312239 344103269 /nfs/dbraw/zinc/10/32/69/344103269.db2.gz IABDTMDYYQALQJ-TWGQIWQCSA-N 1 1 165.236 1.370 10 30 ADEEMO CC(=O)/C=C1\C[C@@H](C)[N@H+](C)C1 157301071 344103279 /nfs/dbraw/zinc/10/32/79/344103279.db2.gz QXVGEOSYCVOFBZ-AJQDLKILSA-N 1 1 153.225 1.226 10 30 ADEEMO CC(=O)/C=C1/CC[N@@H+](C)[C@@H](C)C1 157313609 344103602 /nfs/dbraw/zinc/10/36/02/344103602.db2.gz LZKGJYPLRKRVBU-LRUQUBRESA-N 1 1 167.252 1.616 10 30 ADEEMO CC(=O)/C=C1/CC[N@@H+](C)[C@H](C)C1 157313456 344103683 /nfs/dbraw/zinc/10/36/83/344103683.db2.gz LZKGJYPLRKRVBU-FBHKUJJOSA-N 1 1 167.252 1.616 10 30 ADEEMO CC(=O)/C=C1\CCC[N@H+](C)C1 157313946 344103838 /nfs/dbraw/zinc/10/38/38/344103838.db2.gz AMXOKIYHMHWXCE-RMKNXTFCSA-N 1 1 153.225 1.227 10 30 ADEEMO C#CC[N@@H+]1CC[C@H](CCC)C1 157430032 344106965 /nfs/dbraw/zinc/10/69/65/344106965.db2.gz LEQSFKRGYYCVAF-JTQLQIEISA-N 1 1 151.253 1.742 10 30 ADEEMO C#CC[N@@H+]1CC[C@@H](CCC)C1 157429888 344107045 /nfs/dbraw/zinc/10/70/45/344107045.db2.gz LEQSFKRGYYCVAF-SNVBAGLBSA-N 1 1 151.253 1.742 10 30 ADEEMO CC(C)(C=O)C[N@H+]1CCC[C@](C)(O)C1 157526606 344108475 /nfs/dbraw/zinc/10/84/75/344108475.db2.gz PVTFEHLWRMYXDJ-NSHDSACASA-N 1 1 199.294 1.058 10 30 ADEEMO CC(C)(C=O)C[N@H+]1CCC[C@@](C)(O)C1 157526752 344108636 /nfs/dbraw/zinc/10/86/36/344108636.db2.gz PVTFEHLWRMYXDJ-LLVKDONJSA-N 1 1 199.294 1.058 10 30 ADEEMO CSCC[N@H+](C)C[C@@H](C)C#N 157551814 344108898 /nfs/dbraw/zinc/10/88/98/344108898.db2.gz OFCUWEUXBZWTBN-QMMMGPOBSA-N 1 1 172.297 1.441 10 30 ADEEMO CSCC[N@@H+](C)C[C@@H](C)C#N 157551814 344108901 /nfs/dbraw/zinc/10/89/01/344108901.db2.gz OFCUWEUXBZWTBN-QMMMGPOBSA-N 1 1 172.297 1.441 10 30 ADEEMO COCCCC[N@@H+](C)CCC#N 157537822 344109199 /nfs/dbraw/zinc/10/91/99/344109199.db2.gz FTAOWALSIDBOSS-UHFFFAOYSA-N 1 1 170.256 1.258 10 30 ADEEMO CSCC[N@H+](C)C[C@H](C)C#N 157551678 344109254 /nfs/dbraw/zinc/10/92/54/344109254.db2.gz OFCUWEUXBZWTBN-MRVPVSSYSA-N 1 1 172.297 1.441 10 30 ADEEMO CSCC[N@@H+](C)C[C@H](C)C#N 157551678 344109256 /nfs/dbraw/zinc/10/92/56/344109256.db2.gz OFCUWEUXBZWTBN-MRVPVSSYSA-N 1 1 172.297 1.441 10 30 ADEEMO CSCC[N@H+](C)[C@@H](C)CC#N 157632082 344110474 /nfs/dbraw/zinc/11/04/74/344110474.db2.gz JULPAFTWEWUQAL-QMMMGPOBSA-N 1 1 172.297 1.583 10 30 ADEEMO CSCC[N@@H+](C)[C@@H](C)CC#N 157632082 344110477 /nfs/dbraw/zinc/11/04/77/344110477.db2.gz JULPAFTWEWUQAL-QMMMGPOBSA-N 1 1 172.297 1.583 10 30 ADEEMO CSCC[N@H+](C)[C@H](C)CC#N 157632232 344110602 /nfs/dbraw/zinc/11/06/02/344110602.db2.gz JULPAFTWEWUQAL-MRVPVSSYSA-N 1 1 172.297 1.583 10 30 ADEEMO CSCC[N@@H+](C)[C@H](C)CC#N 157632232 344110606 /nfs/dbraw/zinc/11/06/06/344110606.db2.gz JULPAFTWEWUQAL-MRVPVSSYSA-N 1 1 172.297 1.583 10 30 ADEEMO CC#CCC[N@@H+](CCC)CC(=O)OC 157773737 344113867 /nfs/dbraw/zinc/11/38/67/344113867.db2.gz BNIFWTMUDNMUKK-UHFFFAOYSA-N 1 1 197.278 1.285 10 30 ADEEMO CC#CCC[N@H+](CCC)CC(=O)OC 157773737 344113869 /nfs/dbraw/zinc/11/38/69/344113869.db2.gz BNIFWTMUDNMUKK-UHFFFAOYSA-N 1 1 197.278 1.285 10 30 ADEEMO C[C@H]1C[C@H](C)[N@@H+](C[C@@H]2CO2)C1 157776312 344114419 /nfs/dbraw/zinc/11/44/19/344114419.db2.gz BUBPHODTVGYVTB-XHNCKOQMSA-N 1 1 155.241 1.116 10 30 ADEEMO C[C@@H]1C[C@@H](C)[N@@H+](C[C@@H]2CO2)C1 157776472 344114469 /nfs/dbraw/zinc/11/44/69/344114469.db2.gz BUBPHODTVGYVTB-IWSPIJDZSA-N 1 1 155.241 1.116 10 30 ADEEMO C=C(C)C[NH2+][C@@H]1CCN(C)[C@@H](C)C1 158092845 344118418 /nfs/dbraw/zinc/11/84/18/344118418.db2.gz IZQYFINIKPWXCM-WDEREUQCSA-N 1 1 182.311 1.635 10 30 ADEEMO C=C(C)C[NH2+][C@H]1CCN(C)[C@H](C)C1 158092994 344118519 /nfs/dbraw/zinc/11/85/19/344118519.db2.gz IZQYFINIKPWXCM-MNOVXSKESA-N 1 1 182.311 1.635 10 30 ADEEMO C=C(C)C[NH2+][C@@H]1CCN(C)[C@H](C)C1 158092698 344118722 /nfs/dbraw/zinc/11/87/22/344118722.db2.gz IZQYFINIKPWXCM-GHMZBOCLSA-N 1 1 182.311 1.635 10 30 ADEEMO C=C(C)C[NH2+][C@H]1CCN(C)[C@@H](C)C1 158093142 344118739 /nfs/dbraw/zinc/11/87/39/344118739.db2.gz IZQYFINIKPWXCM-QWRGUYRKSA-N 1 1 182.311 1.635 10 30 ADEEMO CC#CCN[C@@H]1CC[N@@H+](C)[C@H](C)C1 158212860 344121870 /nfs/dbraw/zinc/12/18/70/344121870.db2.gz ZJIDAHSIXGMEPY-GHMZBOCLSA-N 1 1 180.295 1.082 10 30 ADEEMO CC#CC[NH2+][C@@H]1CCN(C)[C@H](C)C1 158212860 344121871 /nfs/dbraw/zinc/12/18/71/344121871.db2.gz ZJIDAHSIXGMEPY-GHMZBOCLSA-N 1 1 180.295 1.082 10 30 ADEEMO CC#CCN[C@H]1CC[N@@H+](C)[C@H](C)C1 158213002 344122059 /nfs/dbraw/zinc/12/20/59/344122059.db2.gz ZJIDAHSIXGMEPY-MNOVXSKESA-N 1 1 180.295 1.082 10 30 ADEEMO C[C@H]1C[C@H](C)[N@@H+](CCS)C1 158406030 344126465 /nfs/dbraw/zinc/12/64/65/344126465.db2.gz CFFQOBPRXOLBJE-YUMQZZPRSA-N 1 1 159.298 1.647 10 30 ADEEMO C[C@H]1C[C@@H](C)[N@@H+](CCS)C1 158406321 344126534 /nfs/dbraw/zinc/12/65/34/344126534.db2.gz CFFQOBPRXOLBJE-JGVFFNPUSA-N 1 1 159.298 1.647 10 30 ADEEMO C[N@@H+](CCS)[C@@H]1CCCC[C@@H]1O 158636464 344130106 /nfs/dbraw/zinc/13/01/06/344130106.db2.gz VXMPUJHFTIEDNX-BDAKNGLRSA-N 1 1 189.324 1.152 10 30 ADEEMO C[N@@H+](CCS)[C@H]1CCCC[C@@H]1O 158636597 344130249 /nfs/dbraw/zinc/13/02/49/344130249.db2.gz VXMPUJHFTIEDNX-IUCAKERBSA-N 1 1 189.324 1.152 10 30 ADEEMO C[C@@H](CO)[N@@H+](C)CCCC(C)(C)C#N 158888513 344135088 /nfs/dbraw/zinc/13/50/88/344135088.db2.gz NERGQGTZGQNFKD-JTQLQIEISA-N 1 1 198.310 1.629 10 30 ADEEMO C#CC[NH2+]Cc1cccc(F)c1O 159150523 344139777 /nfs/dbraw/zinc/13/97/77/344139777.db2.gz WEYSGXHDQNODSZ-UHFFFAOYSA-N 1 1 179.194 1.254 10 30 ADEEMO CC(C)[N@H+]1CCC[C@](O)(CC=O)CC1 159396532 344143306 /nfs/dbraw/zinc/14/33/06/344143306.db2.gz LUDQXPFLPFBLKT-LLVKDONJSA-N 1 1 199.294 1.201 10 30 ADEEMO CC(C)[N@H+]1CCC[C@@](O)(CC=O)CC1 159396662 344143587 /nfs/dbraw/zinc/14/35/87/344143587.db2.gz LUDQXPFLPFBLKT-NSHDSACASA-N 1 1 199.294 1.201 10 30 ADEEMO C[C@]1(O)CCC[N@@H+](CCCS)C1 159498864 344146263 /nfs/dbraw/zinc/14/62/63/344146263.db2.gz YWUZVIASOAYKTC-VIFPVBQESA-N 1 1 189.324 1.153 10 30 ADEEMO C[C@@]1(O)CCC[N@@H+](CCCS)C1 159498995 344146542 /nfs/dbraw/zinc/14/65/42/344146542.db2.gz YWUZVIASOAYKTC-SECBINFHSA-N 1 1 189.324 1.153 10 30 ADEEMO C=C(C)CC[N@H+]1CCN[C@H](C)C1 159557050 344148040 /nfs/dbraw/zinc/14/80/40/344148040.db2.gz IBRMQMILQUHBJT-SNVBAGLBSA-N 1 1 168.284 1.246 10 30 ADEEMO C=C(C)CCN1CC[NH2+][C@H](C)C1 159557050 344148042 /nfs/dbraw/zinc/14/80/42/344148042.db2.gz IBRMQMILQUHBJT-SNVBAGLBSA-N 1 1 168.284 1.246 10 30 ADEEMO C=C(C)CC[N@@H+](C)CC(=O)OCC 160081935 344158101 /nfs/dbraw/zinc/15/81/01/344158101.db2.gz BNDMWCJZINKJHD-UHFFFAOYSA-N 1 1 185.267 1.448 10 30 ADEEMO C=C(C)CC[N@H+](C)CC(=O)OCC 160081935 344158104 /nfs/dbraw/zinc/15/81/04/344158104.db2.gz BNDMWCJZINKJHD-UHFFFAOYSA-N 1 1 185.267 1.448 10 30 ADEEMO C=C(C)CNc1[nH+]cccc1N 160290638 344161933 /nfs/dbraw/zinc/16/19/33/344161933.db2.gz HULKHJNEFFFXIK-UHFFFAOYSA-N 1 1 163.224 1.652 10 30 ADEEMO C=C(C)CNc1ccc(N)c[nH+]1 160291641 344161948 /nfs/dbraw/zinc/16/19/48/344161948.db2.gz MPXKPEQFBFSWKC-UHFFFAOYSA-N 1 1 163.224 1.652 10 30 ADEEMO C=C(C)CNc1ccc(N)[nH+]c1 160289522 344162135 /nfs/dbraw/zinc/16/21/35/344162135.db2.gz YHQKVHQXKMYXCZ-UHFFFAOYSA-N 1 1 163.224 1.652 10 30 ADEEMO C=C(C)CNc1nc(N)cc[nH+]1 160414886 344165102 /nfs/dbraw/zinc/16/51/02/344165102.db2.gz SYWNMQCQGVYLHG-UHFFFAOYSA-N 1 1 164.212 1.047 10 30 ADEEMO C[C@@H](C#N)n1c[nH+]c2c1CCCC2 160402043 344165123 /nfs/dbraw/zinc/16/51/23/344165123.db2.gz KOOVIGDOJVFVCZ-QMMMGPOBSA-N 1 1 175.235 1.846 10 30 ADEEMO C[C@H](C#N)n1c[nH+]c2c1CCCC2 160402162 344165229 /nfs/dbraw/zinc/16/52/29/344165229.db2.gz KOOVIGDOJVFVCZ-MRVPVSSYSA-N 1 1 175.235 1.846 10 30 ADEEMO C#CC(=O)C1C[C@@H]2CC[C@H](C1)[N@H+]2C 160419383 344165599 /nfs/dbraw/zinc/16/55/99/344165599.db2.gz XMQSYZPYDFXOLM-PBINXNQUSA-N 1 1 177.247 1.062 10 30 ADEEMO C#CCC(=O)C1C[C@@H]2CC[C@H](C1)[N@H+]2C 160420158 344165619 /nfs/dbraw/zinc/16/56/19/344165619.db2.gz QDALOQRQZGRGKA-FGWVZKOKSA-N 1 1 191.274 1.452 10 30 ADEEMO C=CC[C@@H](O)C1C[C@@H]2CC[C@H](C1)[N@H+]2C 160421341 344165823 /nfs/dbraw/zinc/16/58/23/344165823.db2.gz UAMUBHXAYNOFKI-FGNRJIRKSA-N 1 1 195.306 1.796 10 30 ADEEMO CC(=O)/C=C1/CC[N@H+]2CCC[C@H]2C1 160487119 344166838 /nfs/dbraw/zinc/16/68/38/344166838.db2.gz HZOSLOYPTTWIJX-BRNRAETOSA-N 1 1 179.263 1.760 10 30 ADEEMO N#C[C@@H]1C[NH2+]CC2(CCCCC2)CO1 160461949 344166973 /nfs/dbraw/zinc/16/69/73/344166973.db2.gz OLUXCZRWMYPGQO-SNVBAGLBSA-N 1 1 194.278 1.449 10 30 ADEEMO CC(=O)C=C1C[C@@H]2CC[C@H](C1)[N@H+]2C 160481700 344167035 /nfs/dbraw/zinc/16/70/35/344167035.db2.gz BXXUVQVGFVGPMZ-PHIMTYICSA-N 1 1 179.263 1.758 10 30 ADEEMO N#C[C@H]1C[NH2+]CC2(CCCCC2)CO1 160461812 344167166 /nfs/dbraw/zinc/16/71/66/344167166.db2.gz OLUXCZRWMYPGQO-JTQLQIEISA-N 1 1 194.278 1.449 10 30 ADEEMO CC(=O)/C=C1/CC[N@H+]2CCC[C@@H]2C1 160487003 344167256 /nfs/dbraw/zinc/16/72/56/344167256.db2.gz HZOSLOYPTTWIJX-ZJRUKIMVSA-N 1 1 179.263 1.760 10 30 ADEEMO CC(=O)/C=C1/CC[N@H+]2CCCC[C@@H]12 160490122 344167551 /nfs/dbraw/zinc/16/75/51/344167551.db2.gz JAOXXDLSXKAWOO-IEHMKBBKSA-N 1 1 179.263 1.760 10 30 ADEEMO CO[C@@H](C)C[N@@H+](CCC#N)C(C)C 160649006 344172567 /nfs/dbraw/zinc/17/25/67/344172567.db2.gz FZJKRVJJPNDJDK-JTQLQIEISA-N 1 1 184.283 1.645 10 30 ADEEMO CO[C@H](C)C[N@@H+](CCC#N)C(C)C 160648855 344172678 /nfs/dbraw/zinc/17/26/78/344172678.db2.gz FZJKRVJJPNDJDK-SNVBAGLBSA-N 1 1 184.283 1.645 10 30 ADEEMO CC#CCN[C@H]1C[C@H](C)[N@H+](C2CC2)C1 160858127 344179244 /nfs/dbraw/zinc/17/92/44/344179244.db2.gz OFMGPIPDTUVHPF-QWRGUYRKSA-N 1 1 192.306 1.225 10 30 ADEEMO CC#CCN[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 160858127 344179242 /nfs/dbraw/zinc/17/92/42/344179242.db2.gz OFMGPIPDTUVHPF-QWRGUYRKSA-N 1 1 192.306 1.225 10 30 ADEEMO CC#CCN[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 160858257 344179441 /nfs/dbraw/zinc/17/94/41/344179441.db2.gz OFMGPIPDTUVHPF-GHMZBOCLSA-N 1 1 192.306 1.225 10 30 ADEEMO CC#CCN[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 160858257 344179443 /nfs/dbraw/zinc/17/94/43/344179443.db2.gz OFMGPIPDTUVHPF-GHMZBOCLSA-N 1 1 192.306 1.225 10 30 ADEEMO CC#CCN[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 160858353 344179446 /nfs/dbraw/zinc/17/94/46/344179446.db2.gz OFMGPIPDTUVHPF-MNOVXSKESA-N 1 1 192.306 1.225 10 30 ADEEMO CC#CCN[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 160858353 344179448 /nfs/dbraw/zinc/17/94/48/344179448.db2.gz OFMGPIPDTUVHPF-MNOVXSKESA-N 1 1 192.306 1.225 10 30 ADEEMO CC#CCN[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 160857993 344179456 /nfs/dbraw/zinc/17/94/56/344179456.db2.gz OFMGPIPDTUVHPF-WDEREUQCSA-N 1 1 192.306 1.225 10 30 ADEEMO CC#CCN[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 160857993 344179458 /nfs/dbraw/zinc/17/94/58/344179458.db2.gz OFMGPIPDTUVHPF-WDEREUQCSA-N 1 1 192.306 1.225 10 30 ADEEMO CC[N@H+](C[C@@H](C)C#N)C[C@@H](C)CO 160936305 344180951 /nfs/dbraw/zinc/18/09/51/344180951.db2.gz JNCBGGYNWWFHHD-VHSXEESVSA-N 1 1 184.283 1.096 10 30 ADEEMO C#CCCC[N@H+]1CCS[C@@H](C)C1 160943400 344181231 /nfs/dbraw/zinc/18/12/31/344181231.db2.gz QFANEKFQQPUCFB-JTQLQIEISA-N 1 1 183.320 1.837 10 30 ADEEMO CC[N@@H+](C[C@H](C)CO)C[C@@H](C)C#N 160936412 344181252 /nfs/dbraw/zinc/18/12/52/344181252.db2.gz JNCBGGYNWWFHHD-UWVGGRQHSA-N 1 1 184.283 1.096 10 30 ADEEMO C#CCCC[N@H+]1CCO[C@H](C)C1 161074197 344184441 /nfs/dbraw/zinc/18/44/41/344184441.db2.gz HNXKBGNZFWEAJL-SNVBAGLBSA-N 1 1 167.252 1.121 10 30 ADEEMO C#CCCC[N@H+]1CCn2ccnc2C1 161112375 344184981 /nfs/dbraw/zinc/18/49/81/344184981.db2.gz YKWQFGNZLQSCBD-UHFFFAOYSA-N 1 1 189.262 1.112 10 30 ADEEMO C#CCCCN1CC[N@H+]2CCC[C@@H]2C1 161121122 344185118 /nfs/dbraw/zinc/18/51/18/344185118.db2.gz QJGVWWZKBDJGCR-GFCCVEGCSA-N 1 1 192.306 1.180 10 30 ADEEMO C#CCCC[N@H+](C)C1CC1 161096495 344185125 /nfs/dbraw/zinc/18/51/25/344185125.db2.gz GWTPBFVIEGEJRJ-UHFFFAOYSA-N 1 1 137.226 1.494 10 30 ADEEMO C#CCCC[N@H+](C)CC 161113503 344185138 /nfs/dbraw/zinc/18/51/38/344185138.db2.gz MVRHAJGDDIWZAK-UHFFFAOYSA-N 1 1 125.215 1.352 10 30 ADEEMO C#CCCC[N@@H+]1CCOCC1(C)C 161108063 344185277 /nfs/dbraw/zinc/18/52/77/344185277.db2.gz BKDGYCFSEYBXQQ-UHFFFAOYSA-N 1 1 181.279 1.511 10 30 ADEEMO C#CCCC[N@H+]1C[C@@H]2CC[C@H](C1)O2 161134787 344185613 /nfs/dbraw/zinc/18/56/13/344185613.db2.gz MHWCGRTWPYTUCI-PHIMTYICSA-N 1 1 179.263 1.263 10 30 ADEEMO CC#CCC[N@@H+]1[C@@H](C)CNC[C@H]1C 161437384 344190946 /nfs/dbraw/zinc/19/09/46/344190946.db2.gz SCRSWEKZRFAZJX-PHIMTYICSA-N 1 1 180.295 1.082 10 30 ADEEMO CC#CCC[N@H+]1[C@@H](C)CNC[C@H]1C 161437384 344190947 /nfs/dbraw/zinc/19/09/47/344190947.db2.gz SCRSWEKZRFAZJX-PHIMTYICSA-N 1 1 180.295 1.082 10 30 ADEEMO CC#CCC[NH+]1[C@@H](C)CNC[C@@H]1C 161437508 344191221 /nfs/dbraw/zinc/19/12/21/344191221.db2.gz SCRSWEKZRFAZJX-QWRGUYRKSA-N 1 1 180.295 1.082 10 30 ADEEMO CC#CCC[NH+]1C[C@@H](C)N[C@H](C)C1 161437105 344191256 /nfs/dbraw/zinc/19/12/56/344191256.db2.gz RRQVEAIBBIAEDV-GHMZBOCLSA-N 1 1 180.295 1.082 10 30 ADEEMO CC#CCC[NH+]1C[C@H](C)N[C@@H](C)C1 161437246 344191336 /nfs/dbraw/zinc/19/13/36/344191336.db2.gz RRQVEAIBBIAEDV-QWRGUYRKSA-N 1 1 180.295 1.082 10 30 ADEEMO CC#CCC[N@@H+]1C[C@H](C)N[C@H](C)C1 161436963 344191372 /nfs/dbraw/zinc/19/13/72/344191372.db2.gz RRQVEAIBBIAEDV-PHIMTYICSA-N 1 1 180.295 1.082 10 30 ADEEMO CC#CCC[N@H+]1C[C@H](C)N[C@H](C)C1 161436963 344191374 /nfs/dbraw/zinc/19/13/74/344191374.db2.gz RRQVEAIBBIAEDV-PHIMTYICSA-N 1 1 180.295 1.082 10 30 ADEEMO CC#CCC[N@@H+]1CCNCC1(C)C 161440989 344191467 /nfs/dbraw/zinc/19/14/67/344191467.db2.gz HEYNPJFVBQDKQA-UHFFFAOYSA-N 1 1 180.295 1.084 10 30 ADEEMO CC#CCC[N@H+]1CCNCC1(C)C 161440989 344191470 /nfs/dbraw/zinc/19/14/70/344191470.db2.gz HEYNPJFVBQDKQA-UHFFFAOYSA-N 1 1 180.295 1.084 10 30 ADEEMO CC#CCC[NH+]1[C@H](C)CNC[C@H]1C 161437627 344191516 /nfs/dbraw/zinc/19/15/16/344191516.db2.gz SCRSWEKZRFAZJX-GHMZBOCLSA-N 1 1 180.295 1.082 10 30 ADEEMO CC#CCC[C@@]1(O)C[C@H](C)[N@@H+](C)C1 161519405 344192952 /nfs/dbraw/zinc/19/29/52/344192952.db2.gz NBPGQTLXGMTQFI-WDEREUQCSA-N 1 1 181.279 1.245 10 30 ADEEMO CC#CCC[C@]1(O)C[C@H](C)[N@@H+](C)C1 161519272 344192987 /nfs/dbraw/zinc/19/29/87/344192987.db2.gz NBPGQTLXGMTQFI-QWRGUYRKSA-N 1 1 181.279 1.245 10 30 ADEEMO CC#CCC[C@]1(O)C[C@@H](C)[N@@H+](C)C1 161519526 344192993 /nfs/dbraw/zinc/19/29/93/344192993.db2.gz NBPGQTLXGMTQFI-MNOVXSKESA-N 1 1 181.279 1.245 10 30 ADEEMO CC#CCC[C@@]1(O)C[C@@H](C)[N@@H+](C)C1 161519640 344193065 /nfs/dbraw/zinc/19/30/65/344193065.db2.gz NBPGQTLXGMTQFI-GHMZBOCLSA-N 1 1 181.279 1.245 10 30 ADEEMO C=C(C)C[N@H+]1CC[C@H](CCO)C1 161588055 344194470 /nfs/dbraw/zinc/19/44/70/344194470.db2.gz SECIJGRPEKPPTE-SNVBAGLBSA-N 1 1 169.268 1.267 10 30 ADEEMO C=C(C)C[N@H+]1CC[C@@H](CCO)C1 161588172 344194721 /nfs/dbraw/zinc/19/47/21/344194721.db2.gz SECIJGRPEKPPTE-JTQLQIEISA-N 1 1 169.268 1.267 10 30 ADEEMO N#CCCCC[N@@H+]1CC[C@@H](CCO)C1 161596022 344194738 /nfs/dbraw/zinc/19/47/38/344194738.db2.gz JMZKZHAKUOJFRT-NSHDSACASA-N 1 1 196.294 1.385 10 30 ADEEMO C=CCC[N@@H+]1CC[C@H](CCO)C1 161595206 344194808 /nfs/dbraw/zinc/19/48/08/344194808.db2.gz VHENNLODWWEUCG-SNVBAGLBSA-N 1 1 169.268 1.267 10 30 ADEEMO N#CCCCC[N@@H+]1CC[C@H](CCO)C1 161596162 344194813 /nfs/dbraw/zinc/19/48/13/344194813.db2.gz JMZKZHAKUOJFRT-LLVKDONJSA-N 1 1 196.294 1.385 10 30 ADEEMO C=CCC[N@@H+]1CC[C@@H](CCO)C1 161595329 344194830 /nfs/dbraw/zinc/19/48/30/344194830.db2.gz VHENNLODWWEUCG-JTQLQIEISA-N 1 1 169.268 1.267 10 30 ADEEMO C=CCCC[N@@H+]1CC[C@@H](CCO)C1 161610504 344195213 /nfs/dbraw/zinc/19/52/13/344195213.db2.gz GLKQWPYKZDEVIF-NSHDSACASA-N 1 1 183.295 1.657 10 30 ADEEMO C=CCCC[N@@H+]1CC[C@H](CCO)C1 161610369 344195291 /nfs/dbraw/zinc/19/52/91/344195291.db2.gz GLKQWPYKZDEVIF-LLVKDONJSA-N 1 1 183.295 1.657 10 30 ADEEMO CC#CCC[N@H+]1CCC[C@H](C=O)C1 161638992 344195458 /nfs/dbraw/zinc/19/54/58/344195458.db2.gz TZFYMAKFRLPYGE-NSHDSACASA-N 1 1 179.263 1.311 10 30 ADEEMO CC#CCC[N@H+]1CCC[C@@H](C=O)C1 161639116 344195602 /nfs/dbraw/zinc/19/56/02/344195602.db2.gz TZFYMAKFRLPYGE-LLVKDONJSA-N 1 1 179.263 1.311 10 30 ADEEMO C=CC[C@@H](C)Nc1nc(N)cc[nH+]1 161663252 344195740 /nfs/dbraw/zinc/19/57/40/344195740.db2.gz JSVOPOSTLMQSQF-SSDOTTSWSA-N 1 1 178.239 1.435 10 30 ADEEMO C=C[C@H](C)Nc1nc(N)cc[nH+]1 161670399 344195794 /nfs/dbraw/zinc/19/57/94/344195794.db2.gz VULSVPLTVSEYRV-LURJTMIESA-N 1 1 164.212 1.045 10 30 ADEEMO C=C[C@@H](C)Nc1nc(N)cc[nH+]1 161670560 344196002 /nfs/dbraw/zinc/19/60/02/344196002.db2.gz VULSVPLTVSEYRV-ZCFIWIBFSA-N 1 1 164.212 1.045 10 30 ADEEMO CC#CC[NH2+][C@@H]1CCC[N@@H+](C)CC1 162010458 344202030 /nfs/dbraw/zinc/20/20/30/344202030.db2.gz GEJIZHMJZMHKIU-LLVKDONJSA-N 1 1 180.295 1.084 10 30 ADEEMO CC#CCN[C@@H]1CCC[N@H+](C)CC1 162010458 344202032 /nfs/dbraw/zinc/20/20/32/344202032.db2.gz GEJIZHMJZMHKIU-LLVKDONJSA-N 1 1 180.295 1.084 10 30 ADEEMO CC#CCN[C@@H]1CCC[N@@H+](C)CC1 162010458 344202033 /nfs/dbraw/zinc/20/20/33/344202033.db2.gz GEJIZHMJZMHKIU-LLVKDONJSA-N 1 1 180.295 1.084 10 30 ADEEMO CC#CC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C 162011080 344202107 /nfs/dbraw/zinc/20/21/07/344202107.db2.gz CWSHGBCNYWZLNZ-SDDRHHMPSA-N 1 1 194.322 1.328 10 30 ADEEMO CC#CC[NH2+][C@@H]1C[C@H](C)N(C)C[C@@H]1C 162011080 344202109 /nfs/dbraw/zinc/20/21/09/344202109.db2.gz CWSHGBCNYWZLNZ-SDDRHHMPSA-N 1 1 194.322 1.328 10 30 ADEEMO CC#CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C 162011330 344202119 /nfs/dbraw/zinc/20/21/19/344202119.db2.gz CWSHGBCNYWZLNZ-QJPTWQEYSA-N 1 1 194.322 1.328 10 30 ADEEMO CC#CC[NH2+][C@@H]1C[C@@H](C)N(C)C[C@@H]1C 162011330 344202123 /nfs/dbraw/zinc/20/21/23/344202123.db2.gz CWSHGBCNYWZLNZ-QJPTWQEYSA-N 1 1 194.322 1.328 10 30 ADEEMO CC#CC[NH2+][C@H]1CCC[N@@H+](C)CC1 162010585 344202209 /nfs/dbraw/zinc/20/22/09/344202209.db2.gz GEJIZHMJZMHKIU-NSHDSACASA-N 1 1 180.295 1.084 10 30 ADEEMO CC#CCN[C@H]1CCC[N@H+](C)CC1 162010585 344202210 /nfs/dbraw/zinc/20/22/10/344202210.db2.gz GEJIZHMJZMHKIU-NSHDSACASA-N 1 1 180.295 1.084 10 30 ADEEMO CC#CCN[C@H]1CCC[N@@H+](C)CC1 162010585 344202211 /nfs/dbraw/zinc/20/22/11/344202211.db2.gz GEJIZHMJZMHKIU-NSHDSACASA-N 1 1 180.295 1.084 10 30 ADEEMO Cc1ccncc1C[NH2+]C[C@@H](C)C#N 162426899 344207942 /nfs/dbraw/zinc/20/79/42/344207942.db2.gz YJNYUKHEMGMPFE-VIFPVBQESA-N 1 1 189.262 1.639 10 30 ADEEMO C#Cc1cc(NC(C)C)cc[nH+]1 162487991 344209082 /nfs/dbraw/zinc/20/90/82/344209082.db2.gz IVFJREAPOZPDEO-UHFFFAOYSA-N 1 1 160.220 1.883 10 30 ADEEMO C#CCCC[N@@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 163188330 344220143 /nfs/dbraw/zinc/22/01/43/344220143.db2.gz WVRHPIIVRUEUTO-MNOVXSKESA-N 1 1 180.295 1.069 10 30 ADEEMO C#CCCCN1CC[C@@H](C)[C@@H]([NH3+])C1 163188330 344220144 /nfs/dbraw/zinc/22/01/44/344220144.db2.gz WVRHPIIVRUEUTO-MNOVXSKESA-N 1 1 180.295 1.069 10 30 ADEEMO C#CCCC[N@@H+]1C[C@H](C)N[C@H](C)C1 163187579 344220224 /nfs/dbraw/zinc/22/02/24/344220224.db2.gz ACAPSEWGVHIUHG-PHIMTYICSA-N 1 1 180.295 1.082 10 30 ADEEMO C#CCCCN1C[C@H](C)[NH2+][C@H](C)C1 163187579 344220225 /nfs/dbraw/zinc/22/02/25/344220225.db2.gz ACAPSEWGVHIUHG-PHIMTYICSA-N 1 1 180.295 1.082 10 30 ADEEMO C#CCCC[N@H+]1C[C@H](C)C[C@@H](N)C1 163199426 344220249 /nfs/dbraw/zinc/22/02/49/344220249.db2.gz NKAMAKAQRMYSJH-GHMZBOCLSA-N 1 1 180.295 1.069 10 30 ADEEMO C#CCCCN1C[C@H](C)C[C@@H]([NH3+])C1 163199426 344220251 /nfs/dbraw/zinc/22/02/51/344220251.db2.gz NKAMAKAQRMYSJH-GHMZBOCLSA-N 1 1 180.295 1.069 10 30 ADEEMO C#CCCC[N@H+]1[C@@H](C)CNC[C@H]1C 163187936 344220257 /nfs/dbraw/zinc/22/02/57/344220257.db2.gz KIEARHBQBXSOMT-PHIMTYICSA-N 1 1 180.295 1.082 10 30 ADEEMO C#CCCCN1[C@@H](C)C[NH2+]C[C@H]1C 163187936 344220259 /nfs/dbraw/zinc/22/02/59/344220259.db2.gz KIEARHBQBXSOMT-PHIMTYICSA-N 1 1 180.295 1.082 10 30 ADEEMO C#CCCC[N@H+]1C[C@@H](C)C[C@H](N)C1 163199307 344220316 /nfs/dbraw/zinc/22/03/16/344220316.db2.gz NKAMAKAQRMYSJH-QWRGUYRKSA-N 1 1 180.295 1.069 10 30 ADEEMO C#CCCCN1C[C@@H](C)C[C@H]([NH3+])C1 163199307 344220319 /nfs/dbraw/zinc/22/03/19/344220319.db2.gz NKAMAKAQRMYSJH-QWRGUYRKSA-N 1 1 180.295 1.069 10 30 ADEEMO C#CCCCN1CC[C@H](C)[C@@H]([NH3+])C1 163188444 344220377 /nfs/dbraw/zinc/22/03/77/344220377.db2.gz WVRHPIIVRUEUTO-QWRGUYRKSA-N 1 1 180.295 1.069 10 30 ADEEMO C#CCCCN1[C@@H](C)C[NH2+]C[C@@H]1C 163188092 344220425 /nfs/dbraw/zinc/22/04/25/344220425.db2.gz KIEARHBQBXSOMT-QWRGUYRKSA-N 1 1 180.295 1.082 10 30 ADEEMO C#CCCC[N@H+]1C[C@@H](C)C[C@@H](N)C1 163199576 344220477 /nfs/dbraw/zinc/22/04/77/344220477.db2.gz NKAMAKAQRMYSJH-WDEREUQCSA-N 1 1 180.295 1.069 10 30 ADEEMO C#CCCCN1C[C@@H](C)C[C@@H]([NH3+])C1 163199576 344220480 /nfs/dbraw/zinc/22/04/80/344220480.db2.gz NKAMAKAQRMYSJH-WDEREUQCSA-N 1 1 180.295 1.069 10 30 ADEEMO C#CCCC[N@@H+]1C[C@@H](N)C[C@@H](C)C1 163199188 344220554 /nfs/dbraw/zinc/22/05/54/344220554.db2.gz NKAMAKAQRMYSJH-MNOVXSKESA-N 1 1 180.295 1.069 10 30 ADEEMO C#CCCCN1C[C@@H]([NH3+])C[C@@H](C)C1 163199188 344220556 /nfs/dbraw/zinc/22/05/56/344220556.db2.gz NKAMAKAQRMYSJH-MNOVXSKESA-N 1 1 180.295 1.069 10 30 ADEEMO C#CCCCN1[C@H](C)C[NH2+]C[C@H]1C 163188214 344220657 /nfs/dbraw/zinc/22/06/57/344220657.db2.gz KIEARHBQBXSOMT-GHMZBOCLSA-N 1 1 180.295 1.082 10 30 ADEEMO C#CCCC[C@]1(O)CCC[N@H+](C)C1 163279834 344221439 /nfs/dbraw/zinc/22/14/39/344221439.db2.gz VVHNTXZSIGVEFK-NSHDSACASA-N 1 1 181.279 1.247 10 30 ADEEMO C#CCCC[C@@]1(O)CCC[N@H+](C)C1 163279699 344221516 /nfs/dbraw/zinc/22/15/16/344221516.db2.gz VVHNTXZSIGVEFK-LLVKDONJSA-N 1 1 181.279 1.247 10 30 ADEEMO CC(C)[C@H]1CC[N@@H+](CCS)C1 163654498 344226100 /nfs/dbraw/zinc/22/61/00/344226100.db2.gz LCCFQYOLTVIBHO-VIFPVBQESA-N 1 1 173.325 1.894 10 30 ADEEMO CC(C)[C@@H]1CC[N@@H+](CCS)C1 163654405 344226411 /nfs/dbraw/zinc/22/64/11/344226411.db2.gz LCCFQYOLTVIBHO-SECBINFHSA-N 1 1 173.325 1.894 10 30 ADEEMO C#C[C@H]([NH3+])c1scnc1C 163729735 344227695 /nfs/dbraw/zinc/22/76/95/344227695.db2.gz HEJWCXDWUYHAPC-LURJTMIESA-N 1 1 152.222 1.085 10 30 ADEEMO C#C[C@@H]([NH3+])c1scnc1C 163729615 344227793 /nfs/dbraw/zinc/22/77/93/344227793.db2.gz HEJWCXDWUYHAPC-ZCFIWIBFSA-N 1 1 152.222 1.085 10 30 ADEEMO C#C[C@H]([NH3+])c1csc(C)n1 163762271 344229215 /nfs/dbraw/zinc/22/92/15/344229215.db2.gz ZTRUHNDXDOFELX-LURJTMIESA-N 1 1 152.222 1.085 10 30 ADEEMO C#C[C@@H]([NH3+])c1csc(C)n1 163762175 344228874 /nfs/dbraw/zinc/22/88/74/344228874.db2.gz ZTRUHNDXDOFELX-ZCFIWIBFSA-N 1 1 152.222 1.085 10 30 ADEEMO C#C[C@@H]([NH2+]C)c1snnc1C(C)C 163764453 344228949 /nfs/dbraw/zinc/22/89/49/344228949.db2.gz DLCJUYVKILQKHR-SSDOTTSWSA-N 1 1 195.291 1.555 10 30 ADEEMO C#C[C@@H]([NH2+]C)c1ccncc1Cl 163776066 344229706 /nfs/dbraw/zinc/22/97/06/344229706.db2.gz FGZFNXZIVHJICZ-SECBINFHSA-N 1 1 180.638 1.629 10 30 ADEEMO C#C[C@H]([NH2+]C)c1snnc1C(C)C 163764556 344229813 /nfs/dbraw/zinc/22/98/13/344229813.db2.gz DLCJUYVKILQKHR-ZETCQYMHSA-N 1 1 195.291 1.555 10 30 ADEEMO C#C[C@H]([NH2+]C)c1ccncc1Cl 163775947 344229840 /nfs/dbraw/zinc/22/98/40/344229840.db2.gz FGZFNXZIVHJICZ-VIFPVBQESA-N 1 1 180.638 1.629 10 30 ADEEMO C=C[C@@H]([NH3+])c1snnc1CC 163852830 344231329 /nfs/dbraw/zinc/23/13/29/344231329.db2.gz YDXCWLPIIZRSEN-RXMQYKEDSA-N 1 1 169.253 1.286 10 30 ADEEMO C=C[C@H]([NH3+])c1snnc1CC 163852945 344231365 /nfs/dbraw/zinc/23/13/65/344231365.db2.gz YDXCWLPIIZRSEN-YFKPBYRVSA-N 1 1 169.253 1.286 10 30 ADEEMO C=C[C@H]([NH2+]C)c1csc(C)n1 163855827 344231723 /nfs/dbraw/zinc/23/17/23/344231723.db2.gz BVLYQILRSDMBDJ-ZETCQYMHSA-N 1 1 168.265 1.898 10 30 ADEEMO C#C[C@H]([NH3+])c1occc1C 163908381 344232632 /nfs/dbraw/zinc/23/26/32/344232632.db2.gz VHICMIBOJSFIBV-ZETCQYMHSA-N 1 1 135.166 1.221 10 30 ADEEMO CC#CC[NH2+]C1CCN(C(C)C)CC1 163897940 344232754 /nfs/dbraw/zinc/23/27/54/344232754.db2.gz HHDSNSIAILTPND-UHFFFAOYSA-N 1 1 194.322 1.472 10 30 ADEEMO C#C[C@@H]([NH3+])c1occc1C 163908291 344232832 /nfs/dbraw/zinc/23/28/32/344232832.db2.gz VHICMIBOJSFIBV-SSDOTTSWSA-N 1 1 135.166 1.221 10 30 ADEEMO C#C[C@H]([NH2+]C)c1occc1C 163935563 344233841 /nfs/dbraw/zinc/23/38/41/344233841.db2.gz GMAJPXZVQVQWBC-QMMMGPOBSA-N 1 1 149.193 1.482 10 30 ADEEMO C#C[C@@H]([NH2+]C)c1occc1C 163935449 344234029 /nfs/dbraw/zinc/23/40/29/344234029.db2.gz GMAJPXZVQVQWBC-MRVPVSSYSA-N 1 1 149.193 1.482 10 30 ADEEMO C=C(C)[C@H]([NH3+])c1cnns1 164108756 344236882 /nfs/dbraw/zinc/23/68/82/344236882.db2.gz FHRCOOOFUAUYDC-LURJTMIESA-N 1 1 155.226 1.114 10 30 ADEEMO C=C(C)[C@@H]([NH3+])c1cnns1 164108881 344237060 /nfs/dbraw/zinc/23/70/60/344237060.db2.gz FHRCOOOFUAUYDC-ZCFIWIBFSA-N 1 1 155.226 1.114 10 30 ADEEMO C=C(C)[C@@H]([NH3+])c1snnc1C 164128089 344237497 /nfs/dbraw/zinc/23/74/97/344237497.db2.gz BXBHYDSIDXBVEJ-ZCFIWIBFSA-N 1 1 169.253 1.422 10 30 ADEEMO C=C(C)[C@H]([NH3+])c1snnc1C 164128192 344237583 /nfs/dbraw/zinc/23/75/83/344237583.db2.gz BXBHYDSIDXBVEJ-LURJTMIESA-N 1 1 169.253 1.422 10 30 ADEEMO C[C@H]1C[N@@H+](CCCS)CCS1 164155198 344238293 /nfs/dbraw/zinc/23/82/93/344238293.db2.gz CQICEWKNSBPCFL-QMMMGPOBSA-N 1 1 191.365 1.744 10 30 ADEEMO C[C@@H]1C[N@@H+](CCCS)CCS1 164155085 344238481 /nfs/dbraw/zinc/23/84/81/344238481.db2.gz CQICEWKNSBPCFL-MRVPVSSYSA-N 1 1 191.365 1.744 10 30 ADEEMO C#CC[NH2+]CC=C(Cl)Cl 164577147 344246794 /nfs/dbraw/zinc/24/67/94/344246794.db2.gz MXDMCUMRVVQJGG-UHFFFAOYSA-N 1 1 164.035 1.528 10 30 ADEEMO CC#CCCn1c[nH+]c(C)c1C 164970552 344256193 /nfs/dbraw/zinc/25/61/93/344256193.db2.gz HRCYODXPOBCPDX-UHFFFAOYSA-N 1 1 162.236 1.913 10 30 ADEEMO CC#CCCN1CC[N@H+]2CCC[C@@H]2C1 164986098 344256283 /nfs/dbraw/zinc/25/62/83/344256283.db2.gz SKRAZNCLWGHTCY-GFCCVEGCSA-N 1 1 192.306 1.180 10 30 ADEEMO C=CC[C@@H](C)Nc1cc(N)[nH+]cn1 165113436 344258258 /nfs/dbraw/zinc/25/82/58/344258258.db2.gz PDDINNJCSJBVLE-SSDOTTSWSA-N 1 1 178.239 1.435 10 30 ADEEMO C=CC[C@@H](C)Nc1cc(N)nc[nH+]1 165113436 344258261 /nfs/dbraw/zinc/25/82/61/344258261.db2.gz PDDINNJCSJBVLE-SSDOTTSWSA-N 1 1 178.239 1.435 10 30 ADEEMO C=C(Cl)CNc1cc(N)[nH+]cn1 165112937 344258269 /nfs/dbraw/zinc/25/82/69/344258269.db2.gz UHUCKZVQKDSDFW-UHFFFAOYSA-N 1 1 184.630 1.223 10 30 ADEEMO C=C(Cl)CNc1cc(N)nc[nH+]1 165112937 344258272 /nfs/dbraw/zinc/25/82/72/344258272.db2.gz UHUCKZVQKDSDFW-UHFFFAOYSA-N 1 1 184.630 1.223 10 30 ADEEMO CC#CCC[N@@H+]1C[C@@H](C)NC[C@@H]1C 165147038 344258884 /nfs/dbraw/zinc/25/88/84/344258884.db2.gz KQNRZUQXLAYQJR-MNOVXSKESA-N 1 1 180.295 1.082 10 30 ADEEMO CC#CCC[N@H+]1C[C@@H](C)NC[C@@H]1C 165147038 344258886 /nfs/dbraw/zinc/25/88/86/344258886.db2.gz KQNRZUQXLAYQJR-MNOVXSKESA-N 1 1 180.295 1.082 10 30 ADEEMO C[C@H]1CC[N@@H+](CC=O)[C@@H](C)C1 165610575 344266842 /nfs/dbraw/zinc/26/68/42/344266842.db2.gz ODLPOLZTIGMYDD-IUCAKERBSA-N 1 1 155.241 1.306 10 30 ADEEMO C[C@H]1C[C@H](C)CC[N@H+]1CC=O 165610455 344266932 /nfs/dbraw/zinc/26/69/32/344266932.db2.gz ODLPOLZTIGMYDD-BDAKNGLRSA-N 1 1 155.241 1.306 10 30 ADEEMO C[C@H]1CC[N@@H+](CCC=O)[C@@H](C)C1 165894285 344271913 /nfs/dbraw/zinc/27/19/13/344271913.db2.gz KHBNBBRWOYRGQM-UWVGGRQHSA-N 1 1 169.268 1.696 10 30 ADEEMO C[C@H]1C[C@H](C)CC[N@H+]1CCC=O 165894171 344271997 /nfs/dbraw/zinc/27/19/97/344271997.db2.gz KHBNBBRWOYRGQM-ZJUUUORDSA-N 1 1 169.268 1.696 10 30 ADEEMO CC[C@@H]1CC[N@@H+](C[C@@H]2CO2)C1 166106469 344274700 /nfs/dbraw/zinc/27/47/00/344274700.db2.gz QZLZSWKKVATELK-RKDXNWHRSA-N 1 1 155.241 1.117 10 30 ADEEMO CC(C)(C)[C@H]1CC[N@@H+](C[C@@H]2CO2)C1 166106071 344274721 /nfs/dbraw/zinc/27/47/21/344274721.db2.gz MGEYQWUQMKQFJB-VHSXEESVSA-N 1 1 183.295 1.753 10 30 ADEEMO CC(C)[C@@H]1CC[N@@H+](C[C@@H]2CO2)C1 166106202 344274917 /nfs/dbraw/zinc/27/49/17/344274917.db2.gz SKXPQLXCWNWKOO-NXEZZACHSA-N 1 1 169.268 1.363 10 30 ADEEMO CC(C)[C@H]1CC[N@@H+](C[C@@H]2CO2)C1 166106318 344274961 /nfs/dbraw/zinc/27/49/61/344274961.db2.gz SKXPQLXCWNWKOO-VHSXEESVSA-N 1 1 169.268 1.363 10 30 ADEEMO CC(C)(C)[C@@H]1CC[N@@H+](C[C@@H]2CO2)C1 166105932 344275059 /nfs/dbraw/zinc/27/50/59/344275059.db2.gz MGEYQWUQMKQFJB-NXEZZACHSA-N 1 1 183.295 1.753 10 30 ADEEMO CC[C@H]1CC[N@@H+](C[C@@H]2CO2)C1 166106590 344275079 /nfs/dbraw/zinc/27/50/79/344275079.db2.gz QZLZSWKKVATELK-DTWKUNHWSA-N 1 1 155.241 1.117 10 30 ADEEMO CC[C@H]1CC[N@@H+](C[C@@H](C)C#N)C1 166194149 344276340 /nfs/dbraw/zinc/27/63/40/344276340.db2.gz SGQPGQRXZCWXQN-UWVGGRQHSA-N 1 1 166.268 1.878 10 30 ADEEMO CC[C@@H]1CC[N@@H+](C[C@@H](C)C#N)C1 166194041 344276475 /nfs/dbraw/zinc/27/64/75/344276475.db2.gz SGQPGQRXZCWXQN-VHSXEESVSA-N 1 1 166.268 1.878 10 30 ADEEMO CC(C)[C@@H]1CC[N@H+]([C@@H](C)/C(N)=N/O)C1 166245100 344276998 /nfs/dbraw/zinc/27/69/98/344276998.db2.gz ZBUSHJROWHNFNN-DTWKUNHWSA-N 1 1 199.298 1.099 10 30 ADEEMO CC(C)[C@H]1CC[N@H+]([C@@H](C)/C(N)=N/O)C1 166245195 344277030 /nfs/dbraw/zinc/27/70/30/344277030.db2.gz ZBUSHJROWHNFNN-IUCAKERBSA-N 1 1 199.298 1.099 10 30 ADEEMO CC[C@H]1CCCC[N@H+]1C[C@H]1CO1 166309146 344279028 /nfs/dbraw/zinc/27/90/28/344279028.db2.gz UZGIXGKDVRZTPJ-UWVGGRQHSA-N 1 1 169.268 1.650 10 30 ADEEMO C#C[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C)C1 166381930 344280391 /nfs/dbraw/zinc/28/03/91/344280391.db2.gz ROCFZCNJJGIFJA-QJPTWQEYSA-N 1 1 194.322 1.328 10 30 ADEEMO C#C[C@H](C)[NH2+][C@H](C)[C@@H]1CCCN(C)C1 166381930 344280392 /nfs/dbraw/zinc/28/03/92/344280392.db2.gz ROCFZCNJJGIFJA-QJPTWQEYSA-N 1 1 194.322 1.328 10 30 ADEEMO C#C[C@H](C)N[C@H](C)[C@@H]1CCC[N@H+](C)C1 166381930 344280394 /nfs/dbraw/zinc/28/03/94/344280394.db2.gz ROCFZCNJJGIFJA-QJPTWQEYSA-N 1 1 194.322 1.328 10 30 ADEEMO C#C[C@H](C)N[C@H](C)[C@@H]1CCC[N@@H+](C)C1 166381930 344280396 /nfs/dbraw/zinc/28/03/96/344280396.db2.gz ROCFZCNJJGIFJA-QJPTWQEYSA-N 1 1 194.322 1.328 10 30 ADEEMO C#C[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C)C1 166381754 344280602 /nfs/dbraw/zinc/28/06/02/344280602.db2.gz ROCFZCNJJGIFJA-SDDRHHMPSA-N 1 1 194.322 1.328 10 30 ADEEMO C#C[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCN(C)C1 166381754 344280604 /nfs/dbraw/zinc/28/06/04/344280604.db2.gz ROCFZCNJJGIFJA-SDDRHHMPSA-N 1 1 194.322 1.328 10 30 ADEEMO C#C[C@H](C)N[C@@H](C)[C@@H]1CCC[N@H+](C)C1 166381754 344280606 /nfs/dbraw/zinc/28/06/06/344280606.db2.gz ROCFZCNJJGIFJA-SDDRHHMPSA-N 1 1 194.322 1.328 10 30 ADEEMO C#C[C@H](C)N[C@@H](C)[C@@H]1CCC[N@@H+](C)C1 166381754 344280608 /nfs/dbraw/zinc/28/06/08/344280608.db2.gz ROCFZCNJJGIFJA-SDDRHHMPSA-N 1 1 194.322 1.328 10 30 ADEEMO C#C[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)CC1 166454983 344281950 /nfs/dbraw/zinc/28/19/50/344281950.db2.gz IYCCLYNHUFYSJD-WDEREUQCSA-N 1 1 180.295 1.082 10 30 ADEEMO C#C[C@H](C)[NH2+][C@@H]1CCCN(C)CC1 166454983 344281952 /nfs/dbraw/zinc/28/19/52/344281952.db2.gz IYCCLYNHUFYSJD-WDEREUQCSA-N 1 1 180.295 1.082 10 30 ADEEMO C#C[C@H](C)N[C@@H]1CCC[N@H+](C)CC1 166454983 344281954 /nfs/dbraw/zinc/28/19/54/344281954.db2.gz IYCCLYNHUFYSJD-WDEREUQCSA-N 1 1 180.295 1.082 10 30 ADEEMO C#C[C@H](C)N[C@@H]1CCC[N@@H+](C)CC1 166454983 344281955 /nfs/dbraw/zinc/28/19/55/344281955.db2.gz IYCCLYNHUFYSJD-WDEREUQCSA-N 1 1 180.295 1.082 10 30 ADEEMO C#C[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](C)CC1 166455084 344282028 /nfs/dbraw/zinc/28/20/28/344282028.db2.gz IYCCLYNHUFYSJD-GHMZBOCLSA-N 1 1 180.295 1.082 10 30 ADEEMO C#C[C@@H](C)[NH2+][C@@H]1CCCN(C)CC1 166455084 344282031 /nfs/dbraw/zinc/28/20/31/344282031.db2.gz IYCCLYNHUFYSJD-GHMZBOCLSA-N 1 1 180.295 1.082 10 30 ADEEMO C#C[C@@H](C)N[C@@H]1CCC[N@H+](C)CC1 166455084 344282033 /nfs/dbraw/zinc/28/20/33/344282033.db2.gz IYCCLYNHUFYSJD-GHMZBOCLSA-N 1 1 180.295 1.082 10 30 ADEEMO C#C[C@@H](C)N[C@@H]1CCC[N@@H+](C)CC1 166455084 344282034 /nfs/dbraw/zinc/28/20/34/344282034.db2.gz IYCCLYNHUFYSJD-GHMZBOCLSA-N 1 1 180.295 1.082 10 30 ADEEMO C#C[C@@H](C)[NH2+][C@H]1CCC[N@@H+](C)CC1 166455325 344282162 /nfs/dbraw/zinc/28/21/62/344282162.db2.gz IYCCLYNHUFYSJD-MNOVXSKESA-N 1 1 180.295 1.082 10 30 ADEEMO C#C[C@@H](C)[NH2+][C@H]1CCCN(C)CC1 166455325 344282165 /nfs/dbraw/zinc/28/21/65/344282165.db2.gz IYCCLYNHUFYSJD-MNOVXSKESA-N 1 1 180.295 1.082 10 30 ADEEMO C#C[C@@H](C)N[C@H]1CCC[N@H+](C)CC1 166455325 344282166 /nfs/dbraw/zinc/28/21/66/344282166.db2.gz IYCCLYNHUFYSJD-MNOVXSKESA-N 1 1 180.295 1.082 10 30 ADEEMO C#C[C@@H](C)N[C@H]1CCC[N@@H+](C)CC1 166455325 344282169 /nfs/dbraw/zinc/28/21/69/344282169.db2.gz IYCCLYNHUFYSJD-MNOVXSKESA-N 1 1 180.295 1.082 10 30 ADEEMO C#C[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)CC1 166455208 344282189 /nfs/dbraw/zinc/28/21/89/344282189.db2.gz IYCCLYNHUFYSJD-QWRGUYRKSA-N 1 1 180.295 1.082 10 30 ADEEMO C#C[C@H](C)[NH2+][C@H]1CCCN(C)CC1 166455208 344282191 /nfs/dbraw/zinc/28/21/91/344282191.db2.gz IYCCLYNHUFYSJD-QWRGUYRKSA-N 1 1 180.295 1.082 10 30 ADEEMO C#C[C@H](C)N[C@H]1CCC[N@H+](C)CC1 166455208 344282193 /nfs/dbraw/zinc/28/21/93/344282193.db2.gz IYCCLYNHUFYSJD-QWRGUYRKSA-N 1 1 180.295 1.082 10 30 ADEEMO C#C[C@H](C)N[C@H]1CCC[N@@H+](C)CC1 166455208 344282194 /nfs/dbraw/zinc/28/21/94/344282194.db2.gz IYCCLYNHUFYSJD-QWRGUYRKSA-N 1 1 180.295 1.082 10 30 ADEEMO CC(C)[C@@H]1CC[N@@H+](C[C@](C)(N)C#N)C1 166587840 344284909 /nfs/dbraw/zinc/28/49/09/344284909.db2.gz QZZNLQISETVRCO-GHMZBOCLSA-N 1 1 195.310 1.205 10 30 ADEEMO CC(C)[C@H]1CC[N@@H+](C[C@](C)(N)C#N)C1 166587953 344285204 /nfs/dbraw/zinc/28/52/04/344285204.db2.gz QZZNLQISETVRCO-WDEREUQCSA-N 1 1 195.310 1.205 10 30 ADEEMO C#C[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C#N 166689344 344286979 /nfs/dbraw/zinc/28/69/79/344286979.db2.gz MKVQRMXKWNAZAV-AXFHLTTASA-N 1 1 176.263 1.680 10 30 ADEEMO C[C@H]1[C@H](C)C[C@@H](C)C[N@@H+]1C[C@@H]1CO1 166682832 344287194 /nfs/dbraw/zinc/28/71/94/344287194.db2.gz ZKQUTWLWTUJPJM-CHWFTXMASA-N 1 1 183.295 1.752 10 30 ADEEMO C[C@H]1C[C@@H](C)C[N@H+](C[C@@H]2CO2)[C@H]1C 166682614 344287279 /nfs/dbraw/zinc/28/72/79/344287279.db2.gz ZKQUTWLWTUJPJM-VPOLOUISSA-N 1 1 183.295 1.752 10 30 ADEEMO C#C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C#N 166689127 344287283 /nfs/dbraw/zinc/28/72/83/344287283.db2.gz MKVQRMXKWNAZAV-HBNTYKKESA-N 1 1 176.263 1.680 10 30 ADEEMO C#C[C@H](C)[NH2+][C@H]1CCC[C@@H]1C#N 166725393 344287697 /nfs/dbraw/zinc/28/76/97/344287697.db2.gz GSDCWWVQVMNLOF-AEJSXWLSSA-N 1 1 162.236 1.290 10 30 ADEEMO C#C[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C#N 166725206 344287891 /nfs/dbraw/zinc/28/78/91/344287891.db2.gz GSDCWWVQVMNLOF-IVZWLZJFSA-N 1 1 162.236 1.290 10 30 ADEEMO C#C[C@H](C)[NH2+]C/C(Cl)=C/Cl 166741835 344287985 /nfs/dbraw/zinc/28/79/85/344287985.db2.gz CZSAFZNHSUXTHN-BBEKVSQQSA-N 1 1 178.062 1.917 10 30 ADEEMO C#C[C@@H](C)[NH2+]C/C(Cl)=C/Cl 166741955 344288395 /nfs/dbraw/zinc/28/83/95/344288395.db2.gz CZSAFZNHSUXTHN-CDXJMXTPSA-N 1 1 178.062 1.917 10 30 ADEEMO C[C@H]1C[C@@H](C)C[N@H+](CC=O)[C@H]1C 166778618 344288848 /nfs/dbraw/zinc/28/88/48/344288848.db2.gz SDXXNIVMAJXREJ-UTLUCORTSA-N 1 1 169.268 1.552 10 30 ADEEMO C[C@H]1[C@H](C)C[C@@H](C)C[N@@H+]1CC=O 166778827 344289387 /nfs/dbraw/zinc/28/93/87/344289387.db2.gz SDXXNIVMAJXREJ-BBBLOLIVSA-N 1 1 169.268 1.552 10 30 ADEEMO CC[C@@H]1CC[N@@H+](CCS)C1 166833578 344290028 /nfs/dbraw/zinc/29/00/28/344290028.db2.gz QYFGCBAMBNGVCC-MRVPVSSYSA-N 1 1 159.298 1.648 10 30 ADEEMO CC[C@H]1CC[N@@H+](CCS)C1 166833697 344290104 /nfs/dbraw/zinc/29/01/04/344290104.db2.gz QYFGCBAMBNGVCC-QMMMGPOBSA-N 1 1 159.298 1.648 10 30 ADEEMO C#C[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@H](C)[C@H]1C 166852188 344290648 /nfs/dbraw/zinc/29/06/48/344290648.db2.gz FJTOGJMLVYULQT-ZDCRXTMVSA-N 1 1 180.295 1.066 10 30 ADEEMO C#C[C@H](C)[N@@H+]1CCC(=O)[C@H](C)[C@H]1C 166851751 344290661 /nfs/dbraw/zinc/29/06/61/344290661.db2.gz SMCQROLJUMUVHK-IVZWLZJFSA-N 1 1 179.263 1.308 10 30 ADEEMO C#C[C@H](C)[N@H+]1CCC(=O)[C@H](C)[C@H]1C 166851751 344290664 /nfs/dbraw/zinc/29/06/64/344290664.db2.gz SMCQROLJUMUVHK-IVZWLZJFSA-N 1 1 179.263 1.308 10 30 ADEEMO C#C[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@@H](C)[C@H]1C 166852298 344290809 /nfs/dbraw/zinc/29/08/09/344290809.db2.gz FJTOGJMLVYULQT-MMWGEVLESA-N 1 1 180.295 1.066 10 30 ADEEMO C#C[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@H](C)[C@@H]1C 166851981 344290860 /nfs/dbraw/zinc/29/08/60/344290860.db2.gz FJTOGJMLVYULQT-VLEAKVRGSA-N 1 1 180.295 1.066 10 30 ADEEMO C#C[C@H](C)[N@@H+]1CCC(=O)[C@@H](C)[C@@H]1C 166851638 344290892 /nfs/dbraw/zinc/29/08/92/344290892.db2.gz SMCQROLJUMUVHK-GUBZILKMSA-N 1 1 179.263 1.308 10 30 ADEEMO C#C[C@H](C)[N@H+]1CCC(=O)[C@@H](C)[C@@H]1C 166851638 344290893 /nfs/dbraw/zinc/29/08/93/344290893.db2.gz SMCQROLJUMUVHK-GUBZILKMSA-N 1 1 179.263 1.308 10 30 ADEEMO C#C[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@@H](C)[C@@H]1C 166852082 344290910 /nfs/dbraw/zinc/29/09/10/344290910.db2.gz FJTOGJMLVYULQT-NAKRPEOUSA-N 1 1 180.295 1.066 10 30 ADEEMO C#C[C@H](C)[N@@H+]1CCC(=O)[C@H](C)[C@@H]1C 166851542 344290934 /nfs/dbraw/zinc/29/09/34/344290934.db2.gz SMCQROLJUMUVHK-AEJSXWLSSA-N 1 1 179.263 1.308 10 30 ADEEMO C#C[C@H](C)[N@H+]1CCC(=O)[C@H](C)[C@@H]1C 166851542 344290935 /nfs/dbraw/zinc/29/09/35/344290935.db2.gz SMCQROLJUMUVHK-AEJSXWLSSA-N 1 1 179.263 1.308 10 30 ADEEMO C#C[C@H](C)[N@@H+]1CCC(=O)[C@@H](C)[C@H]1C 166851862 344290955 /nfs/dbraw/zinc/29/09/55/344290955.db2.gz SMCQROLJUMUVHK-LPEHRKFASA-N 1 1 179.263 1.308 10 30 ADEEMO C#C[C@H](C)[N@H+]1CCC(=O)[C@@H](C)[C@H]1C 166851862 344290957 /nfs/dbraw/zinc/29/09/57/344290957.db2.gz SMCQROLJUMUVHK-LPEHRKFASA-N 1 1 179.263 1.308 10 30 ADEEMO C#C[C@@H](C)Nc1[nH+]cccc1C 166884085 344291492 /nfs/dbraw/zinc/29/14/92/344291492.db2.gz RBKUVKSLWCOOAH-SECBINFHSA-N 1 1 160.220 1.824 10 30 ADEEMO C#C[C@H](C)Nc1[nH+]cccc1C 166883961 344291654 /nfs/dbraw/zinc/29/16/54/344291654.db2.gz RBKUVKSLWCOOAH-VIFPVBQESA-N 1 1 160.220 1.824 10 30 ADEEMO C#C[C@@H](C)Nc1ccc(C)c[nH+]1 166884311 344291736 /nfs/dbraw/zinc/29/17/36/344291736.db2.gz BHTFPLZESPURJI-SECBINFHSA-N 1 1 160.220 1.824 10 30 ADEEMO C#C[C@H](C)Nc1ccc(C)c[nH+]1 166884191 344291765 /nfs/dbraw/zinc/29/17/65/344291765.db2.gz BHTFPLZESPURJI-VIFPVBQESA-N 1 1 160.220 1.824 10 30 ADEEMO C#C[C@@H](C)Nc1cc(C)cc[nH+]1 166902946 344292646 /nfs/dbraw/zinc/29/26/46/344292646.db2.gz IJUSZCSDCWAXOQ-SECBINFHSA-N 1 1 160.220 1.824 10 30 ADEEMO C#C[C@H](C)Nc1cc(C)cc[nH+]1 166902825 344292706 /nfs/dbraw/zinc/29/27/06/344292706.db2.gz IJUSZCSDCWAXOQ-VIFPVBQESA-N 1 1 160.220 1.824 10 30 ADEEMO C#C[C@H](C)Nc1cccc(C)[nH+]1 166898617 344292757 /nfs/dbraw/zinc/29/27/57/344292757.db2.gz TZFGCWNNHDJPHE-QMMMGPOBSA-N 1 1 160.220 1.824 10 30 ADEEMO CCC[C@]([NH3+])(C#N)CC 167128938 344297995 /nfs/dbraw/zinc/29/79/95/344297995.db2.gz PXPRJVSVJCILMW-ZETCQYMHSA-N 1 1 126.203 1.418 10 30 ADEEMO C#C[C@H](C)[N@H+]1C[C@@H](C)NC[C@@H]1CC 167185192 344299620 /nfs/dbraw/zinc/29/96/20/344299620.db2.gz RZPIWNYATVXIAJ-VWYCJHECSA-N 1 1 180.295 1.080 10 30 ADEEMO C#C[C@H](C)[N@@H+]1C[C@@H](C)NC[C@@H]1CC 167185192 344299623 /nfs/dbraw/zinc/29/96/23/344299623.db2.gz RZPIWNYATVXIAJ-VWYCJHECSA-N 1 1 180.295 1.080 10 30 ADEEMO C#C[C@H](C)[N@H+]1C[C@H](C)NC[C@@H]1CC 167185400 344299660 /nfs/dbraw/zinc/29/96/60/344299660.db2.gz RZPIWNYATVXIAJ-DCAQKATOSA-N 1 1 180.295 1.080 10 30 ADEEMO C#C[C@H](C)[N@@H+]1C[C@H](C)NC[C@@H]1CC 167185400 344299661 /nfs/dbraw/zinc/29/96/61/344299661.db2.gz RZPIWNYATVXIAJ-DCAQKATOSA-N 1 1 180.295 1.080 10 30 ADEEMO C#C[C@H](C)[N@H+]1C[C@H](C)NC[C@H]1CC 167185289 344299741 /nfs/dbraw/zinc/29/97/41/344299741.db2.gz RZPIWNYATVXIAJ-GARJFASQSA-N 1 1 180.295 1.080 10 30 ADEEMO C#C[C@H](C)[N@@H+]1C[C@H](C)NC[C@H]1CC 167185289 344299742 /nfs/dbraw/zinc/29/97/42/344299742.db2.gz RZPIWNYATVXIAJ-GARJFASQSA-N 1 1 180.295 1.080 10 30 ADEEMO C#C[C@H](C)[N@H+]1C[C@@H](C)NC[C@H]1CC 167185085 344299901 /nfs/dbraw/zinc/29/99/01/344299901.db2.gz RZPIWNYATVXIAJ-OUAUKWLOSA-N 1 1 180.295 1.080 10 30 ADEEMO C#C[C@H](C)[N@@H+]1C[C@@H](C)NC[C@H]1CC 167185085 344299903 /nfs/dbraw/zinc/29/99/03/344299903.db2.gz RZPIWNYATVXIAJ-OUAUKWLOSA-N 1 1 180.295 1.080 10 30 ADEEMO C#C[C@@H](C)N1CCC[N@H+]2CCC[C@@H]2C1 167201387 344300246 /nfs/dbraw/zinc/30/02/46/344300246.db2.gz NPESRMIVLGXLDF-VXGBXAGGSA-N 1 1 192.306 1.178 10 30 ADEEMO C#C[C@H](C)N1CCC[N@H+]2CCC[C@@H]2C1 167201289 344300273 /nfs/dbraw/zinc/30/02/73/344300273.db2.gz NPESRMIVLGXLDF-NWDGAFQWSA-N 1 1 192.306 1.178 10 30 ADEEMO C=C(C)CNc1ccc[nH+]c1N 167432739 344304937 /nfs/dbraw/zinc/30/49/37/344304937.db2.gz JDZRQUJQLHEECC-UHFFFAOYSA-N 1 1 163.224 1.652 10 30 ADEEMO CSCC[N@@H+](C)[C@H]1CCC[C@@H]1C#N 167466948 344305995 /nfs/dbraw/zinc/30/59/95/344305995.db2.gz JFAMWXINTIUIAO-ZJUUUORDSA-N 1 1 198.335 1.973 10 30 ADEEMO C=C(C)C[N@@H+]1CCC(=O)[C@H](C)[C@H]1C 167608901 344309127 /nfs/dbraw/zinc/30/91/27/344309127.db2.gz CFURYRWYGVJNSY-NXEZZACHSA-N 1 1 181.279 1.862 10 30 ADEEMO C=C(C)C[N@@H+]1CCC(=O)[C@@H](C)[C@H]1C 167609010 344309213 /nfs/dbraw/zinc/30/92/13/344309213.db2.gz CFURYRWYGVJNSY-VHSXEESVSA-N 1 1 181.279 1.862 10 30 ADEEMO C=C(C)C[N@H+]1CCC(=O)C[C@@H]1C 167607665 344309425 /nfs/dbraw/zinc/30/94/25/344309425.db2.gz CUJNWIZPNCXMPF-VIFPVBQESA-N 1 1 167.252 1.616 10 30 ADEEMO C=C(C)C[N@@H+]1CCC(=O)C[C@@H]1C 167607665 344309427 /nfs/dbraw/zinc/30/94/27/344309427.db2.gz CUJNWIZPNCXMPF-VIFPVBQESA-N 1 1 167.252 1.616 10 30 ADEEMO C=C(C)C[N@@H+]1CCC(=O)[C@@H](C)[C@@H]1C 167608795 344309449 /nfs/dbraw/zinc/30/94/49/344309449.db2.gz CFURYRWYGVJNSY-UWVGGRQHSA-N 1 1 181.279 1.862 10 30 ADEEMO C=C(C)CNc1cc[nH+]c(N(C)C)n1 167632861 344310251 /nfs/dbraw/zinc/31/02/51/344310251.db2.gz CWWNWKHERAWRQA-UHFFFAOYSA-N 1 1 192.266 1.531 10 30 ADEEMO C=C(C)C[N@H+]1C[C@H](C)NC[C@@H]1CC 167688464 344311416 /nfs/dbraw/zinc/31/14/16/344311416.db2.gz AMDOVHXOJKRGIL-QWRGUYRKSA-N 1 1 182.311 1.635 10 30 ADEEMO C=C(C)C[N@@H+]1C[C@H](C)NC[C@@H]1CC 167688464 344311419 /nfs/dbraw/zinc/31/14/19/344311419.db2.gz AMDOVHXOJKRGIL-QWRGUYRKSA-N 1 1 182.311 1.635 10 30 ADEEMO C=C(C)CN1C[C@@H](C)[NH2+]C[C@H]1C(C)C 167692017 344311430 /nfs/dbraw/zinc/31/14/30/344311430.db2.gz QDOOXJURTVNJIA-NEPJUHHUSA-N 1 1 196.338 1.881 10 30 ADEEMO C=C(C)C[N@H+]1CC(C)(C)NC[C@H]1C 167692252 344311440 /nfs/dbraw/zinc/31/14/40/344311440.db2.gz NMIBZWCFGHKHAO-SNVBAGLBSA-N 1 1 182.311 1.635 10 30 ADEEMO C=C(C)C[N@@H+]1CC(C)(C)NC[C@H]1C 167692252 344311443 /nfs/dbraw/zinc/31/14/43/344311443.db2.gz NMIBZWCFGHKHAO-SNVBAGLBSA-N 1 1 182.311 1.635 10 30 ADEEMO C=C(C)C[N@H+]1CC(C)(C)NC[C@@H]1C 167692363 344311564 /nfs/dbraw/zinc/31/15/64/344311564.db2.gz NMIBZWCFGHKHAO-JTQLQIEISA-N 1 1 182.311 1.635 10 30 ADEEMO C=C(C)C[N@@H+]1CC(C)(C)NC[C@@H]1C 167692363 344311566 /nfs/dbraw/zinc/31/15/66/344311566.db2.gz NMIBZWCFGHKHAO-JTQLQIEISA-N 1 1 182.311 1.635 10 30 ADEEMO C=C(C)C[N@H+]1C[C@H](C)NC[C@H]1CC 167688374 344311591 /nfs/dbraw/zinc/31/15/91/344311591.db2.gz AMDOVHXOJKRGIL-WDEREUQCSA-N 1 1 182.311 1.635 10 30 ADEEMO C=C(C)C[N@@H+]1C[C@H](C)NC[C@H]1CC 167688374 344311593 /nfs/dbraw/zinc/31/15/93/344311593.db2.gz AMDOVHXOJKRGIL-WDEREUQCSA-N 1 1 182.311 1.635 10 30 ADEEMO C=C(C)C[N@H+]1C[C@@H](C)NC[C@@H]1CC 167688251 344311651 /nfs/dbraw/zinc/31/16/51/344311651.db2.gz AMDOVHXOJKRGIL-MNOVXSKESA-N 1 1 182.311 1.635 10 30 ADEEMO C=C(C)C[N@@H+]1C[C@@H](C)NC[C@@H]1CC 167688251 344311652 /nfs/dbraw/zinc/31/16/52/344311652.db2.gz AMDOVHXOJKRGIL-MNOVXSKESA-N 1 1 182.311 1.635 10 30 ADEEMO C=C(C)C[N@H+]1C[C@@H](C)NC[C@H]1CC 167688147 344311678 /nfs/dbraw/zinc/31/16/78/344311678.db2.gz AMDOVHXOJKRGIL-GHMZBOCLSA-N 1 1 182.311 1.635 10 30 ADEEMO C=C(C)C[N@@H+]1C[C@@H](C)NC[C@H]1CC 167688147 344311679 /nfs/dbraw/zinc/31/16/79/344311679.db2.gz AMDOVHXOJKRGIL-GHMZBOCLSA-N 1 1 182.311 1.635 10 30 ADEEMO C=C(C)C[N@@H+]1CCNC(C)(C)C1 167700053 344311861 /nfs/dbraw/zinc/31/18/61/344311861.db2.gz JWWRNVMYCVMRMB-UHFFFAOYSA-N 1 1 168.284 1.246 10 30 ADEEMO C=C(C)C[N@H+]1CCNC(C)(C)C1 167700053 344311864 /nfs/dbraw/zinc/31/18/64/344311864.db2.gz JWWRNVMYCVMRMB-UHFFFAOYSA-N 1 1 168.284 1.246 10 30 ADEEMO C=C(C)C[N@H+]1C[C@H](C(C)C)NC[C@@H]1C 167700438 344311872 /nfs/dbraw/zinc/31/18/72/344311872.db2.gz RYLQPYLXHVERSK-NWDGAFQWSA-N 1 1 196.338 1.881 10 30 ADEEMO C=C(C)C[N@@H+]1C[C@H](C(C)C)NC[C@@H]1C 167700438 344311874 /nfs/dbraw/zinc/31/18/74/344311874.db2.gz RYLQPYLXHVERSK-NWDGAFQWSA-N 1 1 196.338 1.881 10 30 ADEEMO C=C(C)C[N@H+]1C[C@@H](C(C)C)NC[C@H]1C 167700185 344311918 /nfs/dbraw/zinc/31/19/18/344311918.db2.gz RYLQPYLXHVERSK-NEPJUHHUSA-N 1 1 196.338 1.881 10 30 ADEEMO C=C(C)C[N@@H+]1C[C@@H](C(C)C)NC[C@H]1C 167700185 344311922 /nfs/dbraw/zinc/31/19/22/344311922.db2.gz RYLQPYLXHVERSK-NEPJUHHUSA-N 1 1 196.338 1.881 10 30 ADEEMO C=C(C)C[N@H+]1C[C@@H](C(C)C)NC[C@@H]1C 167700275 344311949 /nfs/dbraw/zinc/31/19/49/344311949.db2.gz RYLQPYLXHVERSK-RYUDHWBXSA-N 1 1 196.338 1.881 10 30 ADEEMO C=C(C)C[N@@H+]1C[C@@H](C(C)C)NC[C@@H]1C 167700275 344311952 /nfs/dbraw/zinc/31/19/52/344311952.db2.gz RYLQPYLXHVERSK-RYUDHWBXSA-N 1 1 196.338 1.881 10 30 ADEEMO C=C(C)C[N@@H+]1CCN[C@H](C(C)(C)C)C1 167698988 344312064 /nfs/dbraw/zinc/31/20/64/344312064.db2.gz AYBBKIRRDPABBD-NSHDSACASA-N 1 1 196.338 1.882 10 30 ADEEMO C=C(C)C[N@H+]1CCN[C@H](C(C)(C)C)C1 167698988 344312066 /nfs/dbraw/zinc/31/20/66/344312066.db2.gz AYBBKIRRDPABBD-NSHDSACASA-N 1 1 196.338 1.882 10 30 ADEEMO CC#CC[NH2+][C@H]1CCC[N@H+](CC)CC1 167703764 344312082 /nfs/dbraw/zinc/31/20/82/344312082.db2.gz XRUYGRSIUZYRNB-LBPRGKRZSA-N 1 1 194.322 1.474 10 30 ADEEMO CC#CCN[C@H]1CCC[N@@H+](CC)CC1 167703764 344312086 /nfs/dbraw/zinc/31/20/86/344312086.db2.gz XRUYGRSIUZYRNB-LBPRGKRZSA-N 1 1 194.322 1.474 10 30 ADEEMO CC#CCN[C@H]1CCC[N@H+](CC)CC1 167703764 344312088 /nfs/dbraw/zinc/31/20/88/344312088.db2.gz XRUYGRSIUZYRNB-LBPRGKRZSA-N 1 1 194.322 1.474 10 30 ADEEMO C=C(C)C[N@@H+]1CCN[C@@H](C(C)(C)C)C1 167699107 344312151 /nfs/dbraw/zinc/31/21/51/344312151.db2.gz AYBBKIRRDPABBD-LLVKDONJSA-N 1 1 196.338 1.882 10 30 ADEEMO C=C(C)C[N@H+]1CCN[C@@H](C(C)(C)C)C1 167699107 344312152 /nfs/dbraw/zinc/31/21/52/344312152.db2.gz AYBBKIRRDPABBD-LLVKDONJSA-N 1 1 196.338 1.882 10 30 ADEEMO CC#CC[NH2+][C@@H]1CCC[N@H+](CC)CC1 167703891 344312191 /nfs/dbraw/zinc/31/21/91/344312191.db2.gz XRUYGRSIUZYRNB-GFCCVEGCSA-N 1 1 194.322 1.474 10 30 ADEEMO CC#CCN[C@@H]1CCC[N@@H+](CC)CC1 167703891 344312192 /nfs/dbraw/zinc/31/21/92/344312192.db2.gz XRUYGRSIUZYRNB-GFCCVEGCSA-N 1 1 194.322 1.474 10 30 ADEEMO CC#CCN[C@@H]1CCC[N@H+](CC)CC1 167703891 344312193 /nfs/dbraw/zinc/31/21/93/344312193.db2.gz XRUYGRSIUZYRNB-GFCCVEGCSA-N 1 1 194.322 1.474 10 30 ADEEMO C=C(C)C[N@H+]1C[C@H](C(C)C)NC[C@H]1C 167700355 344312217 /nfs/dbraw/zinc/31/22/17/344312217.db2.gz RYLQPYLXHVERSK-VXGBXAGGSA-N 1 1 196.338 1.881 10 30 ADEEMO C=C(C)C[N@@H+]1C[C@H](C(C)C)NC[C@H]1C 167700355 344312219 /nfs/dbraw/zinc/31/22/19/344312219.db2.gz RYLQPYLXHVERSK-VXGBXAGGSA-N 1 1 196.338 1.881 10 30 ADEEMO C=C(C)CNc1cc(N)[nH+]cn1 167713711 344312597 /nfs/dbraw/zinc/31/25/97/344312597.db2.gz SLTYPSLMRFNLGR-UHFFFAOYSA-N 1 1 164.212 1.047 10 30 ADEEMO C=C(C)CNc1cc(N)nc[nH+]1 167713711 344312602 /nfs/dbraw/zinc/31/26/02/344312602.db2.gz SLTYPSLMRFNLGR-UHFFFAOYSA-N 1 1 164.212 1.047 10 30 ADEEMO CC#CCNc1cccc(C)[nH+]1 167994414 344318210 /nfs/dbraw/zinc/31/82/10/344318210.db2.gz FPMHTBBSWFJITJ-UHFFFAOYSA-N 1 1 160.220 1.825 10 30 ADEEMO CC#CCNc1cc(C)cc[nH+]1 167996456 344318549 /nfs/dbraw/zinc/31/85/49/344318549.db2.gz VMVDNBGDMLTGNQ-UHFFFAOYSA-N 1 1 160.220 1.825 10 30 ADEEMO CC#CCNc1[nH+]cccc1C 168000235 344318613 /nfs/dbraw/zinc/31/86/13/344318613.db2.gz WBIJAIJOUAVROK-UHFFFAOYSA-N 1 1 160.220 1.825 10 30 ADEEMO C=C(C)CC[N@H+](C)C[C@H](C)C(=O)OC 168017529 344318976 /nfs/dbraw/zinc/31/89/76/344318976.db2.gz FHJCDHNVVFOKPJ-JTQLQIEISA-N 1 1 199.294 1.694 10 30 ADEEMO C=C(C)CC[N@@H+]1CC[C@@H](C(=O)OC)C1 168018091 344319054 /nfs/dbraw/zinc/31/90/54/344319054.db2.gz LGMJNDXJYNJGJG-SNVBAGLBSA-N 1 1 197.278 1.448 10 30 ADEEMO C=C(C)CC[N@H+](C)CCC(=O)OCC 168024368 344319078 /nfs/dbraw/zinc/31/90/78/344319078.db2.gz YFHHTNGVFLOWLS-UHFFFAOYSA-N 1 1 199.294 1.838 10 30 ADEEMO C=C(C)CC[N@H+](C)C[C@@H](C)C(=O)OC 168017642 344319083 /nfs/dbraw/zinc/31/90/83/344319083.db2.gz FHJCDHNVVFOKPJ-SNVBAGLBSA-N 1 1 199.294 1.694 10 30 ADEEMO C=C(C)CC[N@@H+]1CC[C@H](C(=O)OC)C1 168017993 344319157 /nfs/dbraw/zinc/31/91/57/344319157.db2.gz LGMJNDXJYNJGJG-JTQLQIEISA-N 1 1 197.278 1.448 10 30 ADEEMO C=C(C)CC[N@H+](CC(=O)OC)C(C)C 168046592 344319443 /nfs/dbraw/zinc/31/94/43/344319443.db2.gz HYBBBGXJARYXGI-UHFFFAOYSA-N 1 1 199.294 1.836 10 30 ADEEMO C=C(C)CC[N@@H+](CCC#N)CCOC 168041004 344319595 /nfs/dbraw/zinc/31/95/95/344319595.db2.gz RTBKKAWTDZZJSJ-UHFFFAOYSA-N 1 1 196.294 1.815 10 30 ADEEMO C=C(C)CC[N@H+](CCC#N)CCOC 168041004 344319597 /nfs/dbraw/zinc/31/95/97/344319597.db2.gz RTBKKAWTDZZJSJ-UHFFFAOYSA-N 1 1 196.294 1.815 10 30 ADEEMO C=C(Cl)CNc1ccc(N)c[nH+]1 168168035 344322495 /nfs/dbraw/zinc/32/24/95/344322495.db2.gz PKQZEDCQVRTZJQ-UHFFFAOYSA-N 1 1 183.642 1.828 10 30 ADEEMO C=C(Cl)CNc1ccc(N)[nH+]c1 168168271 344322827 /nfs/dbraw/zinc/32/28/27/344322827.db2.gz NQKJIJBVWQUSOD-UHFFFAOYSA-N 1 1 183.642 1.828 10 30 ADEEMO C=C(Cl)CNc1ccc[nH+]c1N 168180698 344323653 /nfs/dbraw/zinc/32/36/53/344323653.db2.gz TWJURRISKSLJPI-UHFFFAOYSA-N 1 1 183.642 1.828 10 30 ADEEMO C=CC(=O)C1C[C@@H]2CC[C@H](C1)[N@H+]2C 168231571 344326158 /nfs/dbraw/zinc/32/61/58/344326158.db2.gz DXKGOFXGMIIDSU-PBINXNQUSA-N 1 1 179.263 1.614 10 30 ADEEMO C#CCCN1CCC(C)([NH2+]C)CC1 168467442 344331260 /nfs/dbraw/zinc/33/12/60/344331260.db2.gz BWPUZKSEJFVLIS-UHFFFAOYSA-N 1 1 180.295 1.084 10 30 ADEEMO N#C[C@H]1C[NH2+]CC2(CCCC2)CO1 168772388 344337182 /nfs/dbraw/zinc/33/71/82/344337182.db2.gz LNTULNJNBKGDCY-VIFPVBQESA-N 1 1 180.251 1.059 10 30 ADEEMO C=CC[N@@H+]1CCC[C@@H](O)CC1 168778115 344337267 /nfs/dbraw/zinc/33/72/67/344337267.db2.gz AQWNGXCDTPAIMG-SECBINFHSA-N 1 1 155.241 1.019 10 30 ADEEMO C=CC[N@@H+]1CCC[C@H](O)CC1 168778208 344337312 /nfs/dbraw/zinc/33/73/12/344337312.db2.gz AQWNGXCDTPAIMG-VIFPVBQESA-N 1 1 155.241 1.019 10 30 ADEEMO C=C(C)CC[N@H+]1CCCNCC1 168923001 344339932 /nfs/dbraw/zinc/33/99/32/344339932.db2.gz LFBYXMQJJKRFGK-UHFFFAOYSA-N 1 1 168.284 1.248 10 30 ADEEMO C=C(C)CCN1CCC[NH2+]CC1 168923001 344339934 /nfs/dbraw/zinc/33/99/34/344339934.db2.gz LFBYXMQJJKRFGK-UHFFFAOYSA-N 1 1 168.284 1.248 10 30 ADEEMO C=C(C)CC[NH2+][C@@H](C(=O)OC)C(C)C 168957461 344340889 /nfs/dbraw/zinc/34/08/89/344340889.db2.gz XGHJVUAIJHHZLK-SNVBAGLBSA-N 1 1 199.294 1.740 10 30 ADEEMO C[C@@H]1C[C@H]([NH3+])CCN1CCCC#N 168982822 344341589 /nfs/dbraw/zinc/34/15/89/344341589.db2.gz AZMJYWPUDGPTKA-NXEZZACHSA-N 1 1 181.283 1.102 10 30 ADEEMO C=C(C)CC[NH2+]CC(F)F 169013545 344342634 /nfs/dbraw/zinc/34/26/34/344342634.db2.gz GUUXONLYWPRYFX-UHFFFAOYSA-N 1 1 149.184 1.807 10 30 ADEEMO C=CC[N@H+]1CCS[C@@H](CC)C1 196252223 344356409 /nfs/dbraw/zinc/35/64/09/344356409.db2.gz FBIFMWNJBLOGHU-VIFPVBQESA-N 1 1 171.309 2.000 10 30 ADEEMO C=C(C)CC[N@@H+]1CCNC[C@@H]1C 169092273 344344636 /nfs/dbraw/zinc/34/46/36/344344636.db2.gz KXYHAINTBIEAOG-JTQLQIEISA-N 1 1 168.284 1.246 10 30 ADEEMO C=C(C)CCN1CC[NH2+]C[C@@H]1C 169092273 344344638 /nfs/dbraw/zinc/34/46/38/344344638.db2.gz KXYHAINTBIEAOG-JTQLQIEISA-N 1 1 168.284 1.246 10 30 ADEEMO C=C(C)CC[N@@H+]1CCNC[C@H]1C 169092182 344344684 /nfs/dbraw/zinc/34/46/84/344344684.db2.gz KXYHAINTBIEAOG-SNVBAGLBSA-N 1 1 168.284 1.246 10 30 ADEEMO C=C(C)CCN1CC[NH2+]C[C@H]1C 169092182 344344686 /nfs/dbraw/zinc/34/46/86/344344686.db2.gz KXYHAINTBIEAOG-SNVBAGLBSA-N 1 1 168.284 1.246 10 30 ADEEMO C=C(C)CC[N@@H+]1CCC[C@@H](N)C1 169090851 344344695 /nfs/dbraw/zinc/34/46/95/344344695.db2.gz NQPPQGQVVIEXAO-SNVBAGLBSA-N 1 1 168.284 1.376 10 30 ADEEMO C=C(C)CC[N@H+]1CCC[C@@H](N)C1 169090851 344344696 /nfs/dbraw/zinc/34/46/96/344344696.db2.gz NQPPQGQVVIEXAO-SNVBAGLBSA-N 1 1 168.284 1.376 10 30 ADEEMO C=C(C)CC[N@H+]1CCC[C@H](N)C1 169090756 344344747 /nfs/dbraw/zinc/34/47/47/344344747.db2.gz NQPPQGQVVIEXAO-JTQLQIEISA-N 1 1 168.284 1.376 10 30 ADEEMO C=C(C)CC[N@@H+]1C[C@@H](C)NC[C@H]1C 169098764 344345076 /nfs/dbraw/zinc/34/50/76/344345076.db2.gz JWFASHSNXITJIT-GHMZBOCLSA-N 1 1 182.311 1.635 10 30 ADEEMO C=C(C)CCN1C[C@@H](C)[NH2+]C[C@H]1C 169098764 344345077 /nfs/dbraw/zinc/34/50/77/344345077.db2.gz JWFASHSNXITJIT-GHMZBOCLSA-N 1 1 182.311 1.635 10 30 ADEEMO C=C(C)CC[N@@H+]1C[C@@H](C)NC[C@@H]1C 169098856 344345114 /nfs/dbraw/zinc/34/51/14/344345114.db2.gz JWFASHSNXITJIT-MNOVXSKESA-N 1 1 182.311 1.635 10 30 ADEEMO C=C(C)CCN1C[C@@H](C)[NH2+]C[C@@H]1C 169098856 344345116 /nfs/dbraw/zinc/34/51/16/344345116.db2.gz JWFASHSNXITJIT-MNOVXSKESA-N 1 1 182.311 1.635 10 30 ADEEMO C=C(C)CC[N@@H+]1C[C@H](C)NC[C@@H]1C 169099022 344345191 /nfs/dbraw/zinc/34/51/91/344345191.db2.gz JWFASHSNXITJIT-QWRGUYRKSA-N 1 1 182.311 1.635 10 30 ADEEMO C=C(C)CCN1C[C@H](C)[NH2+]C[C@@H]1C 169099022 344345192 /nfs/dbraw/zinc/34/51/92/344345192.db2.gz JWFASHSNXITJIT-QWRGUYRKSA-N 1 1 182.311 1.635 10 30 ADEEMO C=C(C)CC[N@@H+]1C[C@H](C)NC[C@H]1C 169098944 344345342 /nfs/dbraw/zinc/34/53/42/344345342.db2.gz JWFASHSNXITJIT-WDEREUQCSA-N 1 1 182.311 1.635 10 30 ADEEMO C=C(C)CCN1C[C@H](C)[NH2+]C[C@H]1C 169098944 344345344 /nfs/dbraw/zinc/34/53/44/344345344.db2.gz JWFASHSNXITJIT-WDEREUQCSA-N 1 1 182.311 1.635 10 30 ADEEMO C=CC[N@H+]1CCS[C@H](CC)C1 196252218 344356368 /nfs/dbraw/zinc/35/63/68/344356368.db2.gz FBIFMWNJBLOGHU-SECBINFHSA-N 1 1 171.309 2.000 10 30 ADEEMO C=C(C)C[N@H+](C)CCN1CCCC1 205345939 344371151 /nfs/dbraw/zinc/37/11/51/344371151.db2.gz GKGBZGCZAONROT-UHFFFAOYSA-N 1 1 182.311 1.590 10 30 ADEEMO C=CCN1C[C@@H](C)[N@H+](C)C[C@H]1C 207052008 344376057 /nfs/dbraw/zinc/37/60/57/344376057.db2.gz BQAXEPORYQXSOZ-NXEZZACHSA-N 1 1 168.284 1.197 10 30 ADEEMO C=CC[N@H+]1C[C@@H](C)N(C)C[C@H]1C 207052008 344376060 /nfs/dbraw/zinc/37/60/60/344376060.db2.gz BQAXEPORYQXSOZ-NXEZZACHSA-N 1 1 168.284 1.197 10 30 ADEEMO C=CC[N@@H+]1C[C@@H](C)N(C)C[C@H]1C 207052008 344376061 /nfs/dbraw/zinc/37/60/61/344376061.db2.gz BQAXEPORYQXSOZ-NXEZZACHSA-N 1 1 168.284 1.197 10 30 ADEEMO C[C@H](C#N)C[N@H+]1CCC[C@@H](C)C1 216163817 344395338 /nfs/dbraw/zinc/39/53/38/344395338.db2.gz HIBQDDVJOOBRHA-NXEZZACHSA-N 1 1 166.268 1.878 10 30 ADEEMO C/C=C\C[NH+]1CCN([C@H](C)C#N)CC1 216301803 344396245 /nfs/dbraw/zinc/39/62/45/344396245.db2.gz GXQPJBDAKDSGRW-DLRQAJBASA-N 1 1 193.294 1.092 10 30 ADEEMO C/C=C\C[NH+]1CCN([C@@H](C)C#N)CC1 216301759 344396314 /nfs/dbraw/zinc/39/63/14/344396314.db2.gz GXQPJBDAKDSGRW-BYCRGOAPSA-N 1 1 193.294 1.092 10 30 ADEEMO O=CC[N@H+]1CC[C@H]2CCCC[C@@H]2C1 216383492 344397075 /nfs/dbraw/zinc/39/70/75/344397075.db2.gz FOYSOVJDMRKSFX-GHMZBOCLSA-N 1 1 181.279 1.697 10 30 ADEEMO CC[C@H](C#N)N1CC[N@@H+](CC)[C@@H](C)C1 216558727 344397998 /nfs/dbraw/zinc/39/79/98/344397998.db2.gz UXXQJMCFOZWSBB-WDEREUQCSA-N 1 1 195.310 1.315 10 30 ADEEMO CC[C@@H](C#N)N1CC[N@@H+](CC)[C@@H](C)C1 216558681 344398039 /nfs/dbraw/zinc/39/80/39/344398039.db2.gz UXXQJMCFOZWSBB-QWRGUYRKSA-N 1 1 195.310 1.315 10 30 ADEEMO C[C@H]1CCC[N@@H+](C[C@@](C)(N)C#N)CC1 216833205 344399624 /nfs/dbraw/zinc/39/96/24/344399624.db2.gz KHRPOCYRBQSVEK-QWRGUYRKSA-N 1 1 195.310 1.349 10 30 ADEEMO C[C@H]1CCC[N@@H+](CC[C@@H](N)C#N)CC1 216830683 344399857 /nfs/dbraw/zinc/39/98/57/344399857.db2.gz CPUJLJPGYSTWLG-WDEREUQCSA-N 1 1 195.310 1.349 10 30 ADEEMO C[C@@H]1CCC[N@@H+](C[C@@](C)(N)C#N)CC1 216833173 344399882 /nfs/dbraw/zinc/39/98/82/344399882.db2.gz KHRPOCYRBQSVEK-MNOVXSKESA-N 1 1 195.310 1.349 10 30 ADEEMO C#CC[N@@H+]1CCO[C@H]2CCCC[C@H]21 217346213 344401266 /nfs/dbraw/zinc/40/12/66/344401266.db2.gz JICUZLVPGSSCSL-MNOVXSKESA-N 1 1 179.263 1.263 10 30 ADEEMO C#CC[N@H+]1CCO[C@H]2CCCC[C@H]21 217346213 344401268 /nfs/dbraw/zinc/40/12/68/344401268.db2.gz JICUZLVPGSSCSL-MNOVXSKESA-N 1 1 179.263 1.263 10 30 ADEEMO C#CC[N@@H+]1CCO[C@@H]2CCCC[C@H]21 217346144 344401332 /nfs/dbraw/zinc/40/13/32/344401332.db2.gz JICUZLVPGSSCSL-GHMZBOCLSA-N 1 1 179.263 1.263 10 30 ADEEMO C#CC[N@H+]1CCO[C@@H]2CCCC[C@H]21 217346144 344401334 /nfs/dbraw/zinc/40/13/34/344401334.db2.gz JICUZLVPGSSCSL-GHMZBOCLSA-N 1 1 179.263 1.263 10 30 ADEEMO C[C@H](C#N)C[N@@H+]1CCCO[C@@H](C)C1 217571055 344403562 /nfs/dbraw/zinc/40/35/62/344403562.db2.gz APWKDBSITRTQDF-ZJUUUORDSA-N 1 1 182.267 1.257 10 30 ADEEMO C[C@H]1C[N@H+]([C@H](C)CC#N)CCCO1 217573509 344403593 /nfs/dbraw/zinc/40/35/93/344403593.db2.gz FAEGYSODKYZPNI-ZJUUUORDSA-N 1 1 182.267 1.399 10 30 ADEEMO C1CC[C@@H]2C[N@@H+](C[C@H]3CO3)CC[C@@H]2C1 217924836 344407899 /nfs/dbraw/zinc/40/78/99/344407899.db2.gz UHFJDGYACZZOAO-TUAOUCFPSA-N 1 1 195.306 1.897 10 30 ADEEMO C[C@@H]1CC[N@H+]([C@H](C)C[C@](C)(N)C#N)C1 218171774 344410045 /nfs/dbraw/zinc/41/00/45/344410045.db2.gz DRIHRSSZGPGPRU-MXWKQRLJSA-N 1 1 195.310 1.348 10 30 ADEEMO C[C@@H]1CC[N@H+]([C@H](C)C[C@@](C)(N)C#N)C1 218171693 344410300 /nfs/dbraw/zinc/41/03/00/344410300.db2.gz DRIHRSSZGPGPRU-GMTAPVOTSA-N 1 1 195.310 1.348 10 30 ADEEMO C[C@@H](C[C@@](C)(N)C#N)[N@H+]1CC[C@@H](C)C1 218171614 344410322 /nfs/dbraw/zinc/41/03/22/344410322.db2.gz DRIHRSSZGPGPRU-OUAUKWLOSA-N 1 1 195.310 1.348 10 30 ADEEMO CC[C@H](CC#N)[N@H+]1CCC[C@@H](O)C1 218441390 344412464 /nfs/dbraw/zinc/41/24/64/344412464.db2.gz FGYRKCPDLNNAOV-NXEZZACHSA-N 1 1 182.267 1.135 10 30 ADEEMO CC[C@@H](CC#N)[N@H+]1CCC[C@@H](O)C1 218441307 344412515 /nfs/dbraw/zinc/41/25/15/344412515.db2.gz FGYRKCPDLNNAOV-VHSXEESVSA-N 1 1 182.267 1.135 10 30 ADEEMO C[C@H]1C[C@@H](C)C[N@@H+](CC[C@@H](N)C#N)C1 218508880 344413193 /nfs/dbraw/zinc/41/31/93/344413193.db2.gz HGLHWHMTIUUIHV-OUAUKWLOSA-N 1 1 195.310 1.205 10 30 ADEEMO C[C@@H]1CCC[N@@H+](CC[C@@H](N)C#N)[C@@H]1C 218540599 344413665 /nfs/dbraw/zinc/41/36/65/344413665.db2.gz RFTPUXFTJOOZSH-GMTAPVOTSA-N 1 1 195.310 1.348 10 30 ADEEMO C[C@H]1C[C@H](C)CC[N@H+]1CC[C@@H](N)C#N 218542548 344413721 /nfs/dbraw/zinc/41/37/21/344413721.db2.gz LMEPHRUKSRQBJR-OUAUKWLOSA-N 1 1 195.310 1.348 10 30 ADEEMO C[C@H]1C[C@@H](C)C[N@@H+](C[C@@](C)(N)C#N)C1 218825113 344416637 /nfs/dbraw/zinc/41/66/37/344416637.db2.gz JPDCNMXZGKPYNK-AXFHLTTASA-N 1 1 195.310 1.205 10 30 ADEEMO C[C@H]1CCCC[N@@H+]1C[C@@](C)(N)C#N 218826565 344416685 /nfs/dbraw/zinc/41/66/85/344416685.db2.gz ZYCIFCXSDQYETB-UWVGGRQHSA-N 1 1 181.283 1.102 10 30 ADEEMO C[C@H]1CCCC[N@H+]1C[C@@](C)(N)C#N 218826565 344416686 /nfs/dbraw/zinc/41/66/86/344416686.db2.gz ZYCIFCXSDQYETB-UWVGGRQHSA-N 1 1 181.283 1.102 10 30 ADEEMO C[C@@H]1CCCC[N@@H+]1C[C@@](C)(N)C#N 218826486 344416696 /nfs/dbraw/zinc/41/66/96/344416696.db2.gz ZYCIFCXSDQYETB-ZJUUUORDSA-N 1 1 181.283 1.102 10 30 ADEEMO C[C@@H]1CCCC[N@H+]1C[C@@](C)(N)C#N 218826486 344416698 /nfs/dbraw/zinc/41/66/98/344416698.db2.gz ZYCIFCXSDQYETB-ZJUUUORDSA-N 1 1 181.283 1.102 10 30 ADEEMO C[C@@H]1CCC[N@@H+](CC[C@@](C)(N)C#N)C1 218864026 344417207 /nfs/dbraw/zinc/41/72/07/344417207.db2.gz VEPIHGSRCFXBME-GHMZBOCLSA-N 1 1 195.310 1.349 10 30 ADEEMO C[C@H]1CCCC[N@H+]1CC[C@@](C)(N)C#N 218862010 344417272 /nfs/dbraw/zinc/41/72/72/344417272.db2.gz MYGANIBYMYZSCZ-WDEREUQCSA-N 1 1 195.310 1.492 10 30 ADEEMO C[C@@H]1CCCC[N@H+]1CC[C@@](C)(N)C#N 218861943 344417351 /nfs/dbraw/zinc/41/73/51/344417351.db2.gz MYGANIBYMYZSCZ-GHMZBOCLSA-N 1 1 195.310 1.492 10 30 ADEEMO C[C@H]1CCC[N@@H+](CC[C@@](C)(N)C#N)C1 218864097 344417397 /nfs/dbraw/zinc/41/73/97/344417397.db2.gz VEPIHGSRCFXBME-WDEREUQCSA-N 1 1 195.310 1.349 10 30 ADEEMO C[C@@]([NH3+])(C#N)CCC(F)(F)F 219043443 344419064 /nfs/dbraw/zinc/41/90/64/344419064.db2.gz RPSCIRSLUANCGF-YFKPBYRVSA-N 1 1 166.146 1.570 10 30 ADEEMO C[C@]([NH3+])(C#N)CCC(F)(F)F 219043371 344419206 /nfs/dbraw/zinc/41/92/06/344419206.db2.gz RPSCIRSLUANCGF-RXMQYKEDSA-N 1 1 166.146 1.570 10 30 ADEEMO C[C@]([NH3+])(C#N)CC1CCC1 219169236 344420486 /nfs/dbraw/zinc/42/04/86/344420486.db2.gz SGWOMUBOGXONEC-MRVPVSSYSA-N 1 1 138.214 1.418 10 30 ADEEMO C[C@@]([NH3+])(C#N)CC1CCC1 219169317 344420501 /nfs/dbraw/zinc/42/05/01/344420501.db2.gz SGWOMUBOGXONEC-QMMMGPOBSA-N 1 1 138.214 1.418 10 30 ADEEMO C[C@]([NH3+])(C#N)C1CCC1 219146021 344420652 /nfs/dbraw/zinc/42/06/52/344420652.db2.gz QNTDNXIFQZUIMP-ZETCQYMHSA-N 1 1 124.187 1.027 10 30 ADEEMO CC[C@@H]1CCCC[N@@H+]1C[C@@H](N)C#N 219197613 344421031 /nfs/dbraw/zinc/42/10/31/344421031.db2.gz BERXLDAJECBIGQ-VHSXEESVSA-N 1 1 181.283 1.102 10 30 ADEEMO CC[C@@H]1CCCC[N@H+]1C[C@@H](N)C#N 219197613 344421033 /nfs/dbraw/zinc/42/10/33/344421033.db2.gz BERXLDAJECBIGQ-VHSXEESVSA-N 1 1 181.283 1.102 10 30 ADEEMO CC[C@H]1CCCC[N@@H+]1C[C@@H](N)C#N 219197686 344421146 /nfs/dbraw/zinc/42/11/46/344421146.db2.gz BERXLDAJECBIGQ-UWVGGRQHSA-N 1 1 181.283 1.102 10 30 ADEEMO CC[C@H]1CCCC[N@H+]1C[C@@H](N)C#N 219197686 344421148 /nfs/dbraw/zinc/42/11/48/344421148.db2.gz BERXLDAJECBIGQ-UWVGGRQHSA-N 1 1 181.283 1.102 10 30 ADEEMO C[C@@]([NH3+])(C#N)CC1CCCC1 219217001 344421536 /nfs/dbraw/zinc/42/15/36/344421536.db2.gz JBLWBAAADASJMO-VIFPVBQESA-N 1 1 152.241 1.808 10 30 ADEEMO C[C@@H]1CCC[C@@H]([N@H+](C)C[C@@H](N)C#N)C1 219238800 344421472 /nfs/dbraw/zinc/42/14/72/344421472.db2.gz SVDLCWSERNIMGR-OUAUKWLOSA-N 1 1 195.310 1.348 10 30 ADEEMO C[C@@H]1CCC[C@@H]([N@@H+](C)C[C@@H](N)C#N)C1 219238800 344421473 /nfs/dbraw/zinc/42/14/73/344421473.db2.gz SVDLCWSERNIMGR-OUAUKWLOSA-N 1 1 195.310 1.348 10 30 ADEEMO C[C@@H]1CCC[C@H]([N@H+](C)C[C@@H](N)C#N)C1 219238680 344421498 /nfs/dbraw/zinc/42/14/98/344421498.db2.gz SVDLCWSERNIMGR-VWYCJHECSA-N 1 1 195.310 1.348 10 30 ADEEMO C[C@@H]1CCC[C@H]([N@@H+](C)C[C@@H](N)C#N)C1 219238680 344421500 /nfs/dbraw/zinc/42/15/00/344421500.db2.gz SVDLCWSERNIMGR-VWYCJHECSA-N 1 1 195.310 1.348 10 30 ADEEMO C[C@]([NH3+])(C#N)CC1CCCC1 219216928 344421588 /nfs/dbraw/zinc/42/15/88/344421588.db2.gz JBLWBAAADASJMO-SECBINFHSA-N 1 1 152.241 1.808 10 30 ADEEMO C[C@H]1CN([C@H](C)CC#N)C[C@@H](C)[N@@H+]1C 219273758 344421829 /nfs/dbraw/zinc/42/18/29/344421829.db2.gz HOSGKJBTXMBELO-MXWKQRLJSA-N 1 1 195.310 1.313 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCC[C@@H](O)C1 219359542 344422954 /nfs/dbraw/zinc/42/29/54/344422954.db2.gz MWUIWMHYVGMVTD-DTWKUNHWSA-N 1 1 155.241 1.018 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCC[C@@H](O)C1 219359464 344423240 /nfs/dbraw/zinc/42/32/40/344423240.db2.gz MWUIWMHYVGMVTD-RKDXNWHRSA-N 1 1 155.241 1.018 10 30 ADEEMO C#CCCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C 219419039 344423488 /nfs/dbraw/zinc/42/34/88/344423488.db2.gz JHRUQPJCPCYULI-NEPJUHHUSA-N 1 1 192.306 1.178 10 30 ADEEMO C[C@H]1C[N@H+](C)CC[C@H]1N[C@H](C)CC#N 219419436 344423697 /nfs/dbraw/zinc/42/36/97/344423697.db2.gz YPUHBLRWQCXZPI-HBNTYKKESA-N 1 1 195.310 1.218 10 30 ADEEMO C[C@H]1C[N@H+](C)CC[C@@H]1N[C@H](C)CC#N 219419525 344423823 /nfs/dbraw/zinc/42/38/23/344423823.db2.gz YPUHBLRWQCXZPI-AXFHLTTASA-N 1 1 195.310 1.218 10 30 ADEEMO CO[C@H]1CCC[N@@H+](CCCC#N)C1 219568966 344425649 /nfs/dbraw/zinc/42/56/49/344425649.db2.gz GKVINNYUODGYJI-JTQLQIEISA-N 1 1 182.267 1.401 10 30 ADEEMO CO[C@@H]1CCC[N@@H+](CCCC#N)C1 219568887 344425668 /nfs/dbraw/zinc/42/56/68/344425668.db2.gz GKVINNYUODGYJI-SNVBAGLBSA-N 1 1 182.267 1.401 10 30 ADEEMO C[C@H](C#N)C[N@@H+]1C[C@@H](C)[C@@H](C)C1 219677537 344426788 /nfs/dbraw/zinc/42/67/88/344426788.db2.gz WBPUMCCDWOEVFK-BBBLOLIVSA-N 1 1 166.268 1.734 10 30 ADEEMO CN[C@@](C)(C#N)C[N@H+]1C[C@@H](C)[C@@H](C)C1 219720175 344427361 /nfs/dbraw/zinc/42/73/61/344427361.db2.gz HPWRVHRNTWMUHE-AXFHLTTASA-N 1 1 195.310 1.076 10 30 ADEEMO CN[C@@](C)(C#N)C[N@@H+]1C[C@@H](C)[C@@H](C)C1 219720175 344427364 /nfs/dbraw/zinc/42/73/64/344427364.db2.gz HPWRVHRNTWMUHE-AXFHLTTASA-N 1 1 195.310 1.076 10 30 ADEEMO C[C@H](O)CC[N@@H+](C)[C@@H]1CCC[C@@H]1C#N 219761674 344427563 /nfs/dbraw/zinc/42/75/63/344427563.db2.gz YVLRPFHXTWFDFX-HBNTYKKESA-N 1 1 196.294 1.381 10 30 ADEEMO C[C@@H]1C[N@H+](CC[C@@](C)(N)C#N)C[C@@H]1C 219722663 344427864 /nfs/dbraw/zinc/42/78/64/344427864.db2.gz RVLRLRHYSGDJSH-OUAUKWLOSA-N 1 1 195.310 1.205 10 30 ADEEMO CCC[N@@H+](C)Cc1ccc(C#N)cn1 219939316 344429465 /nfs/dbraw/zinc/42/94/65/344429465.db2.gz AAIFQKHYBOASBX-UHFFFAOYSA-N 1 1 189.262 1.795 10 30 ADEEMO C#C[C@@H](C(C)C)[NH+]1CCC(=O)CC1 220689807 344434371 /nfs/dbraw/zinc/43/43/71/344434371.db2.gz AACSVPNGYKGJAN-NSHDSACASA-N 1 1 179.263 1.309 10 30 ADEEMO C#C[C@H](C(C)C)[NH+]1CCC(=O)CC1 220689751 344434429 /nfs/dbraw/zinc/43/44/29/344434429.db2.gz AACSVPNGYKGJAN-LLVKDONJSA-N 1 1 179.263 1.309 10 30 ADEEMO C[C@H](C#N)C[N@@H+]1CCS[C@@H](C)C1 220954883 344436800 /nfs/dbraw/zinc/43/68/00/344436800.db2.gz OCFKPIMVPGDOHL-BDAKNGLRSA-N 1 1 184.308 1.583 10 30 ADEEMO C[C@H](C#N)C[N@H+]1CCS[C@@H](C)C1 220954883 344436803 /nfs/dbraw/zinc/43/68/03/344436803.db2.gz OCFKPIMVPGDOHL-BDAKNGLRSA-N 1 1 184.308 1.583 10 30 ADEEMO CO[C@H]1C[N@@H+](CCCC#N)CC[C@@H]1C 221130634 344437949 /nfs/dbraw/zinc/43/79/49/344437949.db2.gz IVGGIPBTKNMZFZ-QWRGUYRKSA-N 1 1 196.294 1.647 10 30 ADEEMO CO[C@@H]1C[N@@H+](CCCC#N)CC[C@@H]1C 221130564 344438173 /nfs/dbraw/zinc/43/81/73/344438173.db2.gz IVGGIPBTKNMZFZ-WDEREUQCSA-N 1 1 196.294 1.647 10 30 ADEEMO CC[C@H](C#N)N[C@@H]1CC[N@H+]2CCC[C@@H]12 221306172 344441469 /nfs/dbraw/zinc/44/14/69/344441469.db2.gz OVYDPJMQGYPCBF-MXWKQRLJSA-N 1 1 193.294 1.115 10 30 ADEEMO CC[C@H](C#N)N[C@H]1CC[N@H+]2CCC[C@@H]12 221306280 344441772 /nfs/dbraw/zinc/44/17/72/344441772.db2.gz OVYDPJMQGYPCBF-VWYCJHECSA-N 1 1 193.294 1.115 10 30 ADEEMO C#CCCC[N@@H+]1CC[C@H](C)[C@@H](O)C1 221455705 344443198 /nfs/dbraw/zinc/44/31/98/344443198.db2.gz VMUBXASVTBVSBL-QWRGUYRKSA-N 1 1 181.279 1.103 10 30 ADEEMO C#CCCC[N@@H+]1CC[C@@H](C)[C@@H](O)C1 221455649 344443302 /nfs/dbraw/zinc/44/33/02/344443302.db2.gz VMUBXASVTBVSBL-MNOVXSKESA-N 1 1 181.279 1.103 10 30 ADEEMO CC1(C)C/C(=N\O)C[C@@H]2CCC[N@H+]21 221976515 344447829 /nfs/dbraw/zinc/44/78/29/344447829.db2.gz APOWXJXNONDJLH-ANHFWZFOSA-N 1 1 182.267 1.853 10 30 ADEEMO C[C@@H]1CC[C@@H](C)[C@@]([NH3+])(C#N)C1 222195065 344449545 /nfs/dbraw/zinc/44/95/45/344449545.db2.gz PDNXHJIBUOTWNQ-HLTSFMKQSA-N 1 1 152.241 1.664 10 30 ADEEMO C[C@H]1C[C@H](C)CC[C@]1([NH3+])C#N 222194955 344449578 /nfs/dbraw/zinc/44/95/78/344449578.db2.gz YRWBIOFNFPYXQH-VGMNWLOBSA-N 1 1 152.241 1.664 10 30 ADEEMO C[C@H]1C[C@H](C)CC[C@@]1([NH3+])C#N 222194858 344449610 /nfs/dbraw/zinc/44/96/10/344449610.db2.gz YRWBIOFNFPYXQH-HRDYMLBCSA-N 1 1 152.241 1.664 10 30 ADEEMO C[C@H]1CC[C@@H](C)C[C@]1([NH3+])C#N 222195186 344449756 /nfs/dbraw/zinc/44/97/56/344449756.db2.gz PDNXHJIBUOTWNQ-VGMNWLOBSA-N 1 1 152.241 1.664 10 30 ADEEMO C[C@@H]1CCCC[C@H]1[N@@H+](C)C[C@@H](N)C#N 222841394 344454923 /nfs/dbraw/zinc/45/49/23/344454923.db2.gz UMXPLBCHPFFLNP-OUAUKWLOSA-N 1 1 195.310 1.348 10 30 ADEEMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)C[C@@H](N)C#N 222841289 344454969 /nfs/dbraw/zinc/45/49/69/344454969.db2.gz UMXPLBCHPFFLNP-VWYCJHECSA-N 1 1 195.310 1.348 10 30 ADEEMO C#CCC[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 223353675 344460260 /nfs/dbraw/zinc/46/02/60/344460260.db2.gz IAIXZKSGWHXDRM-NEPJUHHUSA-N 1 1 192.306 1.226 10 30 ADEEMO C#CCC[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 223353732 344460303 /nfs/dbraw/zinc/46/03/03/344460303.db2.gz IAIXZKSGWHXDRM-RYUDHWBXSA-N 1 1 192.306 1.226 10 30 ADEEMO C#CCC[NH2+][C@H]1CCN2CCCC[C@@H]12 223353732 344460304 /nfs/dbraw/zinc/46/03/04/344460304.db2.gz IAIXZKSGWHXDRM-RYUDHWBXSA-N 1 1 192.306 1.226 10 30 ADEEMO C=CC[N@H+]1C[C@@H](C)NC[C@@H]1C1CC1 223641501 344461204 /nfs/dbraw/zinc/46/12/04/344461204.db2.gz KDUYFQIFGDPJIN-MWLCHTKSSA-N 1 1 180.295 1.245 10 30 ADEEMO C=CC[N@@H+]1C[C@@H](C)NC[C@@H]1C1CC1 223641501 344461207 /nfs/dbraw/zinc/46/12/07/344461207.db2.gz KDUYFQIFGDPJIN-MWLCHTKSSA-N 1 1 180.295 1.245 10 30 ADEEMO C=CC[N@H+]1C[C@H](C)NC[C@@H]1C1CC1 223641563 344461570 /nfs/dbraw/zinc/46/15/70/344461570.db2.gz KDUYFQIFGDPJIN-GXSJLCMTSA-N 1 1 180.295 1.245 10 30 ADEEMO C=CC[N@@H+]1C[C@H](C)NC[C@@H]1C1CC1 223641563 344461571 /nfs/dbraw/zinc/46/15/71/344461571.db2.gz KDUYFQIFGDPJIN-GXSJLCMTSA-N 1 1 180.295 1.245 10 30 ADEEMO C=CC[N@H+]1C[C@H](C)NC[C@@]1(C)C1CC1 223699392 344461911 /nfs/dbraw/zinc/46/19/11/344461911.db2.gz DGKRCRCMRUJYDT-JQWIXIFHSA-N 1 1 194.322 1.635 10 30 ADEEMO C=CC[N@@H+]1C[C@H](C)NC[C@@]1(C)C1CC1 223699392 344461913 /nfs/dbraw/zinc/46/19/13/344461913.db2.gz DGKRCRCMRUJYDT-JQWIXIFHSA-N 1 1 194.322 1.635 10 30 ADEEMO C=CC[N@H+]1C[C@@H](C)NC[C@@]1(C)C1CC1 223699342 344462049 /nfs/dbraw/zinc/46/20/49/344462049.db2.gz DGKRCRCMRUJYDT-PWSUYJOCSA-N 1 1 194.322 1.635 10 30 ADEEMO C=CC[N@@H+]1C[C@@H](C)NC[C@@]1(C)C1CC1 223699342 344462051 /nfs/dbraw/zinc/46/20/51/344462051.db2.gz DGKRCRCMRUJYDT-PWSUYJOCSA-N 1 1 194.322 1.635 10 30 ADEEMO C=CC[N@H+]1C[C@@H](C)NC[C@@H]1C(C)(C)C 223711548 344462618 /nfs/dbraw/zinc/46/26/18/344462618.db2.gz XCDMIMCXQJKOBH-GHMZBOCLSA-N 1 1 196.338 1.881 10 30 ADEEMO C=CC[N@@H+]1C[C@@H](C)NC[C@@H]1C(C)(C)C 223711548 344462620 /nfs/dbraw/zinc/46/26/20/344462620.db2.gz XCDMIMCXQJKOBH-GHMZBOCLSA-N 1 1 196.338 1.881 10 30 ADEEMO C=CC[N@H+]1C[C@H](C)NC[C@@H]1C(C)(C)C 223711608 344462837 /nfs/dbraw/zinc/46/28/37/344462837.db2.gz XCDMIMCXQJKOBH-WDEREUQCSA-N 1 1 196.338 1.881 10 30 ADEEMO C=CC[N@@H+]1C[C@H](C)NC[C@@H]1C(C)(C)C 223711608 344462840 /nfs/dbraw/zinc/46/28/40/344462840.db2.gz XCDMIMCXQJKOBH-WDEREUQCSA-N 1 1 196.338 1.881 10 30 ADEEMO C=CC[NH2+][C@@H]1C[C@@H](C)N(C)C[C@@H]1C 223829271 344463580 /nfs/dbraw/zinc/46/35/80/344463580.db2.gz CBISDCSITNQKOX-HBNTYKKESA-N 1 1 182.311 1.491 10 30 ADEEMO C=CC[NH2+][C@@H]1C[C@H](C)N(C)C[C@@H]1C 223829401 344463602 /nfs/dbraw/zinc/46/36/02/344463602.db2.gz CBISDCSITNQKOX-GARJFASQSA-N 1 1 182.311 1.491 10 30 ADEEMO C=CC[N@H+]1C[C@](C)(CC)NC[C@@H]1C 224169550 344466902 /nfs/dbraw/zinc/46/69/02/344466902.db2.gz YOXMGUPAJKDBCX-QWRGUYRKSA-N 1 1 182.311 1.635 10 30 ADEEMO C=CC[N@@H+]1C[C@](C)(CC)NC[C@@H]1C 224169550 344466904 /nfs/dbraw/zinc/46/69/04/344466904.db2.gz YOXMGUPAJKDBCX-QWRGUYRKSA-N 1 1 182.311 1.635 10 30 ADEEMO C=CC[N@H+]1C[C@@](C)(CC)NC[C@@H]1C 224169498 344466955 /nfs/dbraw/zinc/46/69/55/344466955.db2.gz YOXMGUPAJKDBCX-WDEREUQCSA-N 1 1 182.311 1.635 10 30 ADEEMO C=CC[N@@H+]1C[C@@](C)(CC)NC[C@@H]1C 224169498 344466957 /nfs/dbraw/zinc/46/69/57/344466957.db2.gz YOXMGUPAJKDBCX-WDEREUQCSA-N 1 1 182.311 1.635 10 30 ADEEMO CC[C@@H]1CC[C@H](C)[N@H+]1C[C@@H](N)C#N 224254555 344467510 /nfs/dbraw/zinc/46/75/10/344467510.db2.gz XLCYFULSSSLMPA-LPEHRKFASA-N 1 1 181.283 1.100 10 30 ADEEMO CC[C@@H]1CC[C@@H](C)[N@H+]1C[C@@](C)(N)C#N 224255723 344467635 /nfs/dbraw/zinc/46/76/35/344467635.db2.gz UNDRLNVLSGAELO-MXWKQRLJSA-N 1 1 195.310 1.490 10 30 ADEEMO CC[C@@H]1CC[C@@H](C)[N@H+]1C[C@@H](N)C#N 224254455 344467647 /nfs/dbraw/zinc/46/76/47/344467647.db2.gz XLCYFULSSSLMPA-KXUCPTDWSA-N 1 1 181.283 1.100 10 30 ADEEMO CC[C@@H]1CC[C@H](C)[N@H+]1C[C@@](C)(N)C#N 224255831 344467667 /nfs/dbraw/zinc/46/76/67/344467667.db2.gz UNDRLNVLSGAELO-AXFHLTTASA-N 1 1 195.310 1.490 10 30 ADEEMO C=CCN1C[C@@H](CC)[NH2+]CC[C@@H]1C 224395650 344468236 /nfs/dbraw/zinc/46/82/36/344468236.db2.gz WMOMBJGUTKFKLE-WDEREUQCSA-N 1 1 182.311 1.635 10 30 ADEEMO C=CCN1C[C@H](CC)[NH2+]CC[C@@H]1C 224395706 344468535 /nfs/dbraw/zinc/46/85/35/344468535.db2.gz WMOMBJGUTKFKLE-QWRGUYRKSA-N 1 1 182.311 1.635 10 30 ADEEMO C=CC[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 224612506 344470810 /nfs/dbraw/zinc/47/08/10/344470810.db2.gz LYGFHJSWDGTASW-QWRGUYRKSA-N 1 1 180.295 1.389 10 30 ADEEMO C=CC[NH2+][C@H]1CCN2CCCC[C@@H]12 224612506 344470811 /nfs/dbraw/zinc/47/08/11/344470811.db2.gz LYGFHJSWDGTASW-QWRGUYRKSA-N 1 1 180.295 1.389 10 30 ADEEMO C=CC[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 224612459 344470912 /nfs/dbraw/zinc/47/09/12/344470912.db2.gz LYGFHJSWDGTASW-MNOVXSKESA-N 1 1 180.295 1.389 10 30 ADEEMO C=CC[NH2+][C@@H]1CCN2CCCC[C@@H]12 224612459 344470914 /nfs/dbraw/zinc/47/09/14/344470914.db2.gz LYGFHJSWDGTASW-MNOVXSKESA-N 1 1 180.295 1.389 10 30 ADEEMO C[C@H]1CCC[N@H+]1C[C@@]1(C=O)CCOC1 225189057 344477918 /nfs/dbraw/zinc/47/79/18/344477918.db2.gz IUIWRIQQMFKOMB-WDEREUQCSA-N 1 1 197.278 1.076 10 30 ADEEMO C=C[C@@H](C)[N@@H+]1C[C@H](C)N[C@H](C)C1 225183451 344478018 /nfs/dbraw/zinc/47/80/18/344478018.db2.gz IPEOFJOUOLVKBP-KXUCPTDWSA-N 1 1 168.284 1.243 10 30 ADEEMO C=C[C@@H](C)[N@H+]1C[C@H](C)N[C@H](C)C1 225183451 344478021 /nfs/dbraw/zinc/47/80/21/344478021.db2.gz IPEOFJOUOLVKBP-KXUCPTDWSA-N 1 1 168.284 1.243 10 30 ADEEMO C[C@@H]1CCC[N@H+]1C[C@@]1(C=O)CCOC1 225189018 344478026 /nfs/dbraw/zinc/47/80/26/344478026.db2.gz IUIWRIQQMFKOMB-GHMZBOCLSA-N 1 1 197.278 1.076 10 30 ADEEMO CO[C@H]1C[N@H+](CCC#N)CC[C@H]1C 225246636 344479218 /nfs/dbraw/zinc/47/92/18/344479218.db2.gz UNGRNICDNUDHMJ-ZJUUUORDSA-N 1 1 182.267 1.257 10 30 ADEEMO CO[C@H]1C[N@@H+](CCC#N)CC[C@H]1C 225246636 344479220 /nfs/dbraw/zinc/47/92/20/344479220.db2.gz UNGRNICDNUDHMJ-ZJUUUORDSA-N 1 1 182.267 1.257 10 30 ADEEMO C#CCC[N@@H+]1C[C@@H](C)NC[C@@H]1C(C)C 225540445 344482778 /nfs/dbraw/zinc/48/27/78/344482778.db2.gz BEYOEBMCUJQWKZ-VXGBXAGGSA-N 1 1 194.322 1.328 10 30 ADEEMO C#CCCN1C[C@@H](C)[NH2+]C[C@@H]1C(C)C 225540445 344482780 /nfs/dbraw/zinc/48/27/80/344482780.db2.gz BEYOEBMCUJQWKZ-VXGBXAGGSA-N 1 1 194.322 1.328 10 30 ADEEMO C#CCC[N@@H+]1C[C@H](C)NC[C@@H]1C(C)C 225540471 344482959 /nfs/dbraw/zinc/48/29/59/344482959.db2.gz BEYOEBMCUJQWKZ-NWDGAFQWSA-N 1 1 194.322 1.328 10 30 ADEEMO C#CCCN1C[C@H](C)[NH2+]C[C@@H]1C(C)C 225540471 344482963 /nfs/dbraw/zinc/48/29/63/344482963.db2.gz BEYOEBMCUJQWKZ-NWDGAFQWSA-N 1 1 194.322 1.328 10 30 ADEEMO C[C@@H]1CC[C@H](C#N)[C@@H]([N@@H+](C)CCO)C1 225642551 344483772 /nfs/dbraw/zinc/48/37/72/344483772.db2.gz UJHWPFHSUKKLKT-MXWKQRLJSA-N 1 1 196.294 1.239 10 30 ADEEMO C[C@@H]1CC[C@@H](C#N)[C@@H]([N@@H+](C)CCO)C1 225642488 344483811 /nfs/dbraw/zinc/48/38/11/344483811.db2.gz UJHWPFHSUKKLKT-VWYCJHECSA-N 1 1 196.294 1.239 10 30 ADEEMO C[C@H]1CC[N@@H+](C[C@@H]2CO2)[C@@H](C)C1 225718581 344484701 /nfs/dbraw/zinc/48/47/01/344484701.db2.gz ZGNDJJPTHXJVIH-LPEHRKFASA-N 1 1 169.268 1.506 10 30 ADEEMO C[C@H]1C[C@H](C)CC[N@H+]1C[C@@H]1CO1 225718558 344484727 /nfs/dbraw/zinc/48/47/27/344484727.db2.gz ZGNDJJPTHXJVIH-KXUCPTDWSA-N 1 1 169.268 1.506 10 30 ADEEMO C[C@H]1C[C@H](C)CC[N@@H+]1C[C@@](C)(N)C#N 225764662 344486448 /nfs/dbraw/zinc/48/64/48/344486448.db2.gz CLFHBUFDCIFJLE-VWYCJHECSA-N 1 1 195.310 1.348 10 30 ADEEMO C[C@H]1C[C@H](C)CC[N@H+]1C[C@@](C)(N)C#N 225764662 344486449 /nfs/dbraw/zinc/48/64/49/344486449.db2.gz CLFHBUFDCIFJLE-VWYCJHECSA-N 1 1 195.310 1.348 10 30 ADEEMO C=C(C)C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 225793530 344486729 /nfs/dbraw/zinc/48/67/29/344486729.db2.gz VNZRKZBRNHSLQH-NEPJUHHUSA-N 1 1 194.322 1.779 10 30 ADEEMO C=C(C)CN[C@@H]1CC[N@@H+]2CCCC[C@@H]12 225793530 344486731 /nfs/dbraw/zinc/48/67/31/344486731.db2.gz VNZRKZBRNHSLQH-NEPJUHHUSA-N 1 1 194.322 1.779 10 30 ADEEMO C=C(C)CN[C@@H]1CC[N@H+]2CCCC[C@@H]12 225793530 344486733 /nfs/dbraw/zinc/48/67/33/344486733.db2.gz VNZRKZBRNHSLQH-NEPJUHHUSA-N 1 1 194.322 1.779 10 30 ADEEMO C=C(C)C[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 225793552 344486776 /nfs/dbraw/zinc/48/67/76/344486776.db2.gz VNZRKZBRNHSLQH-RYUDHWBXSA-N 1 1 194.322 1.779 10 30 ADEEMO C=C(C)CN[C@H]1CC[N@@H+]2CCCC[C@@H]12 225793552 344486778 /nfs/dbraw/zinc/48/67/78/344486778.db2.gz VNZRKZBRNHSLQH-RYUDHWBXSA-N 1 1 194.322 1.779 10 30 ADEEMO C=C(C)CN[C@H]1CC[N@H+]2CCCC[C@@H]12 225793552 344486780 /nfs/dbraw/zinc/48/67/80/344486780.db2.gz VNZRKZBRNHSLQH-RYUDHWBXSA-N 1 1 194.322 1.779 10 30 ADEEMO C[C@@H](CC#N)[NH+]1CCC([C@@H](C)O)CC1 225795048 344486883 /nfs/dbraw/zinc/48/68/83/344486883.db2.gz PPQKTRFSDNLVFS-VHSXEESVSA-N 1 1 196.294 1.381 10 30 ADEEMO C[C@H](O)C1CC[NH+]([C@@H](C)CC#N)CC1 225795063 344486961 /nfs/dbraw/zinc/48/69/61/344486961.db2.gz PPQKTRFSDNLVFS-UWVGGRQHSA-N 1 1 196.294 1.381 10 30 ADEEMO C[C@@H](O)C1CC[NH+]([C@H](C)CC#N)CC1 225795084 344486979 /nfs/dbraw/zinc/48/69/79/344486979.db2.gz PPQKTRFSDNLVFS-NXEZZACHSA-N 1 1 196.294 1.381 10 30 ADEEMO C[C@H](O)C1CC[NH+]([C@H](C)CC#N)CC1 225795097 344487123 /nfs/dbraw/zinc/48/71/23/344487123.db2.gz PPQKTRFSDNLVFS-ZJUUUORDSA-N 1 1 196.294 1.381 10 30 ADEEMO C#CCC[N@H+]1C[C@@](C)(CC)NC[C@@H]1C 225805280 344488005 /nfs/dbraw/zinc/48/80/05/344488005.db2.gz ZKSHFZNNRKOIFI-NWDGAFQWSA-N 1 1 194.322 1.472 10 30 ADEEMO C#CCC[N@H+]1C[C@](C)(CC)NC[C@@H]1C 225805300 344488080 /nfs/dbraw/zinc/48/80/80/344488080.db2.gz ZKSHFZNNRKOIFI-RYUDHWBXSA-N 1 1 194.322 1.472 10 30 ADEEMO C#CCC[N@@H+]1C[C@](C)(CC)NC[C@@H]1C 225805300 344488083 /nfs/dbraw/zinc/48/80/83/344488083.db2.gz ZKSHFZNNRKOIFI-RYUDHWBXSA-N 1 1 194.322 1.472 10 30 ADEEMO C#CCC[N@H+]1C[C@H](CC)NC[C@@H]1C 225804543 344488361 /nfs/dbraw/zinc/48/83/61/344488361.db2.gz CBCSVRADZVVISV-QWRGUYRKSA-N 1 1 180.295 1.082 10 30 ADEEMO C#CCC[N@@H+]1C[C@H](CC)NC[C@@H]1C 225804543 344488363 /nfs/dbraw/zinc/48/83/63/344488363.db2.gz CBCSVRADZVVISV-QWRGUYRKSA-N 1 1 180.295 1.082 10 30 ADEEMO C#CCC[N@H+]1C[C@@H](CC)NC[C@@H]1C 225804527 344488518 /nfs/dbraw/zinc/48/85/18/344488518.db2.gz CBCSVRADZVVISV-WDEREUQCSA-N 1 1 180.295 1.082 10 30 ADEEMO C#CCC[N@@H+]1C[C@@H](CC)NC[C@@H]1C 225804527 344488519 /nfs/dbraw/zinc/48/85/19/344488519.db2.gz CBCSVRADZVVISV-WDEREUQCSA-N 1 1 180.295 1.082 10 30 ADEEMO CC#CCN1CC[C@@H]([NH3+])[C@@H](CC)C1 226029310 344491040 /nfs/dbraw/zinc/49/10/40/344491040.db2.gz NPSZWAQHWQJOIA-WDEREUQCSA-N 1 1 180.295 1.069 10 30 ADEEMO CC[C@@H](CC#N)NC[C@@H]1CCC[N@H+]1C 226057240 344491157 /nfs/dbraw/zinc/49/11/57/344491157.db2.gz KDNVKGAVLTVYMB-QWRGUYRKSA-N 1 1 195.310 1.362 10 30 ADEEMO CC[C@@H](CC#N)[NH2+]C[C@@H]1CCCN1C 226057240 344491161 /nfs/dbraw/zinc/49/11/61/344491161.db2.gz KDNVKGAVLTVYMB-QWRGUYRKSA-N 1 1 195.310 1.362 10 30 ADEEMO CC[C@H](CC#N)NC[C@@H]1CCC[N@H+]1C 226057250 344491278 /nfs/dbraw/zinc/49/12/78/344491278.db2.gz KDNVKGAVLTVYMB-MNOVXSKESA-N 1 1 195.310 1.362 10 30 ADEEMO CC[C@H](CC#N)[NH2+]C[C@@H]1CCCN1C 226057250 344491282 /nfs/dbraw/zinc/49/12/82/344491282.db2.gz KDNVKGAVLTVYMB-MNOVXSKESA-N 1 1 195.310 1.362 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCC[C@@H](CO)C1 226180233 344493786 /nfs/dbraw/zinc/49/37/86/344493786.db2.gz WLDBZGYNDMILNJ-VHSXEESVSA-N 1 1 169.268 1.265 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCC[C@@H](CO)C1 226180226 344493828 /nfs/dbraw/zinc/49/38/28/344493828.db2.gz WLDBZGYNDMILNJ-NXEZZACHSA-N 1 1 169.268 1.265 10 30 ADEEMO C=C[C@H](C)[N@H+]1CC[C@@](C)(O)C1 226211614 344494888 /nfs/dbraw/zinc/49/48/88/344494888.db2.gz CEKWCVNHSRUZBQ-DTWKUNHWSA-N 1 1 155.241 1.018 10 30 ADEEMO C[C@H](C#N)C[N@@H+](C)[C@H]1CCCC[C@@H]1O 226243110 344495855 /nfs/dbraw/zinc/49/58/55/344495855.db2.gz HSPBXEWAANKLTH-VWYCJHECSA-N 1 1 196.294 1.381 10 30 ADEEMO C[C@@H](CC#N)[N@@H+](C)[C@H]1CCCC[C@@H]1O 226247218 344495880 /nfs/dbraw/zinc/49/58/80/344495880.db2.gz OTSSVRKEPARWQZ-DCAQKATOSA-N 1 1 196.294 1.524 10 30 ADEEMO C[C@H](CC#N)[N@@H+](C)[C@H]1CCCC[C@@H]1O 226247226 344496063 /nfs/dbraw/zinc/49/60/63/344496063.db2.gz OTSSVRKEPARWQZ-VWYCJHECSA-N 1 1 196.294 1.524 10 30 ADEEMO C#CC(C)(C)[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 226267193 344497054 /nfs/dbraw/zinc/49/70/54/344497054.db2.gz XOTAMFCWGZZFCG-VHSXEESVSA-N 1 1 180.295 1.067 10 30 ADEEMO C[C@H](C#N)C[N@@H+]1CC[C@@H]1C 226281443 344497359 /nfs/dbraw/zinc/49/73/59/344497359.db2.gz QYLINWKBTJGQBX-SFYZADRCSA-N 1 1 138.214 1.240 10 30 ADEEMO C[C@H](C#N)C[N@H+]1CC[C@@H]1C 226281443 344497361 /nfs/dbraw/zinc/49/73/61/344497361.db2.gz QYLINWKBTJGQBX-SFYZADRCSA-N 1 1 138.214 1.240 10 30 ADEEMO CC[N@@H+](CCC#N)[C@@H]1CCC[C@H]1O 226281811 344497482 /nfs/dbraw/zinc/49/74/82/344497482.db2.gz CGTNLVLFNCHPOZ-NXEZZACHSA-N 1 1 182.267 1.135 10 30 ADEEMO CC[N@@H+](C[C@H](C)C#N)[C@@H]1CCC[C@H]1O 226281790 344497543 /nfs/dbraw/zinc/49/75/43/344497543.db2.gz VSVRCNBFXGRDDK-GMTAPVOTSA-N 1 1 196.294 1.381 10 30 ADEEMO CC[N@@H+](C[C@@H](C)C#N)[C@@H]1CCC[C@H]1O 226281779 344497605 /nfs/dbraw/zinc/49/76/05/344497605.db2.gz VSVRCNBFXGRDDK-HBNTYKKESA-N 1 1 196.294 1.381 10 30 ADEEMO C[C@H](CC#N)[N@@H+](C)[C@@H]1CCC[C@H]1O 226285376 344498102 /nfs/dbraw/zinc/49/81/02/344498102.db2.gz FCIBHPQKYPDVON-OPRDCNLKSA-N 1 1 182.267 1.134 10 30 ADEEMO C[C@H]1CSCC[N@H+]1[C@H](C)CC#N 226394327 344501778 /nfs/dbraw/zinc/50/17/78/344501778.db2.gz LOPHGMVNHHBDHO-BDAKNGLRSA-N 1 1 184.308 1.726 10 30 ADEEMO C[C@H]1CSCC[N@@H+]1[C@H](C)CC#N 226394327 344501779 /nfs/dbraw/zinc/50/17/79/344501779.db2.gz LOPHGMVNHHBDHO-BDAKNGLRSA-N 1 1 184.308 1.726 10 30 ADEEMO C#CCC[NH2+][C@@H]1C[C@@H](C)N(C)C[C@@H]1C 226423448 344502786 /nfs/dbraw/zinc/50/27/86/344502786.db2.gz XCTINOASCVFVFH-QJPTWQEYSA-N 1 1 194.322 1.328 10 30 ADEEMO C#CCC[NH2+][C@@H]1C[C@H](C)N(C)C[C@@H]1C 226423459 344502943 /nfs/dbraw/zinc/50/29/43/344502943.db2.gz XCTINOASCVFVFH-SDDRHHMPSA-N 1 1 194.322 1.328 10 30 ADEEMO C#C[C@@H](C)N(C)[C@@H]1CCC[NH2+]CC1 226466746 344503505 /nfs/dbraw/zinc/50/35/05/344503505.db2.gz ZKGIFYORIKBLOK-GHMZBOCLSA-N 1 1 180.295 1.082 10 30 ADEEMO C#C[C@H](C)N(C)[C@@H]1CCC[NH2+]CC1 226466750 344503854 /nfs/dbraw/zinc/50/38/54/344503854.db2.gz ZKGIFYORIKBLOK-WDEREUQCSA-N 1 1 180.295 1.082 10 30 ADEEMO C=C[C@H](C)[N@H+]1CC[C@@H]([C@@H](C)O)C1 226479166 344504210 /nfs/dbraw/zinc/50/42/10/344504210.db2.gz OFSZLRMLEJPIAS-IVZWLZJFSA-N 1 1 169.268 1.264 10 30 ADEEMO CC(C)[C@@H]1CCC[N@H+]1C[C@@](C)(N)C#N 226555853 344506545 /nfs/dbraw/zinc/50/65/45/344506545.db2.gz WVUJNDNLTQCYIN-QWRGUYRKSA-N 1 1 195.310 1.348 10 30 ADEEMO CC(C)[C@H]1CCC[N@H+]1C[C@@](C)(N)C#N 226555863 344506559 /nfs/dbraw/zinc/50/65/59/344506559.db2.gz WVUJNDNLTQCYIN-MNOVXSKESA-N 1 1 195.310 1.348 10 30 ADEEMO C1CC[C@H]2[C@@H](C1)CC[N@@H+]2C[C@H]1CO1 226564085 344506885 /nfs/dbraw/zinc/50/68/85/344506885.db2.gz MJNFJSGETBCRKQ-DCAQKATOSA-N 1 1 181.279 1.650 10 30 ADEEMO C[C@H](C#N)C[NH+]1C[C@H](C)S[C@@H](C)C1 226669793 344509655 /nfs/dbraw/zinc/50/96/55/344509655.db2.gz ANJZMJXVXYSTLS-UTLUCORTSA-N 1 1 198.335 1.972 10 30 ADEEMO C[C@H]1C[N@@H+](C[C@H]2CO2)C[C@@H](C)S1 226669303 344509658 /nfs/dbraw/zinc/50/96/58/344509658.db2.gz PZPNYYXQVUVYKO-YIZRAAEISA-N 1 1 187.308 1.211 10 30 ADEEMO C[C@H](C#N)C[N@@H+]1C[C@H](C)S[C@H](C)C1 226669789 344509778 /nfs/dbraw/zinc/50/97/78/344509778.db2.gz ANJZMJXVXYSTLS-BBBLOLIVSA-N 1 1 198.335 1.972 10 30 ADEEMO C[C@H](C#N)C[N@H+]1C[C@H](C)S[C@H](C)C1 226669789 344509779 /nfs/dbraw/zinc/50/97/79/344509779.db2.gz ANJZMJXVXYSTLS-BBBLOLIVSA-N 1 1 198.335 1.972 10 30 ADEEMO C[C@@H]1CCCCC[N@@H+]1C[C@@H](N)C#N 226739674 344511290 /nfs/dbraw/zinc/51/12/90/344511290.db2.gz MHHPAAVMZHMLRZ-ZJUUUORDSA-N 1 1 181.283 1.102 10 30 ADEEMO C[C@@H]1CCCCC[N@H+]1C[C@@H](N)C#N 226739674 344511292 /nfs/dbraw/zinc/51/12/92/344511292.db2.gz MHHPAAVMZHMLRZ-ZJUUUORDSA-N 1 1 181.283 1.102 10 30 ADEEMO C[C@H]1CCCCC[N@@H+]1C[C@@H](N)C#N 226739683 344511443 /nfs/dbraw/zinc/51/14/43/344511443.db2.gz MHHPAAVMZHMLRZ-UWVGGRQHSA-N 1 1 181.283 1.102 10 30 ADEEMO C[C@H]1CCCCC[N@H+]1C[C@@H](N)C#N 226739683 344511446 /nfs/dbraw/zinc/51/14/46/344511446.db2.gz MHHPAAVMZHMLRZ-UWVGGRQHSA-N 1 1 181.283 1.102 10 30 ADEEMO C[C@H]1CCCCC[N@H+]1CC[C@@H](N)C#N 226739657 344511474 /nfs/dbraw/zinc/51/14/74/344511474.db2.gz HNRQAGQCGMKMMP-WDEREUQCSA-N 1 1 195.310 1.492 10 30 ADEEMO C[C@@H]1CCCCC[N@H+]1CC[C@@H](N)C#N 226739653 344511479 /nfs/dbraw/zinc/51/14/79/344511479.db2.gz HNRQAGQCGMKMMP-GHMZBOCLSA-N 1 1 195.310 1.492 10 30 ADEEMO C#CC[C@@H]([NH3+])C(=O)c1csc(C)c1 226830212 344514738 /nfs/dbraw/zinc/51/47/38/344514738.db2.gz HECSEBXKUGDCFY-SECBINFHSA-N 1 1 193.271 1.590 10 30 ADEEMO C#CC[C@H]([NH3+])C(=O)c1csc(C)c1 226830218 344514803 /nfs/dbraw/zinc/51/48/03/344514803.db2.gz HECSEBXKUGDCFY-VIFPVBQESA-N 1 1 193.271 1.590 10 30 ADEEMO C#CC[C@H]([NH3+])C(=O)c1ccccc1F 226827654 344514817 /nfs/dbraw/zinc/51/48/17/344514817.db2.gz UBAVPFPJGKZHSU-JTQLQIEISA-N 1 1 191.205 1.359 10 30 ADEEMO C#CC[C@@H]([NH3+])C(=O)c1sccc1C 226827242 344514920 /nfs/dbraw/zinc/51/49/20/344514920.db2.gz KBJARJQEXMPBBR-MRVPVSSYSA-N 1 1 193.271 1.590 10 30 ADEEMO C#CC[C@@H]([NH3+])C(=O)c1ccccc1F 226827650 344514939 /nfs/dbraw/zinc/51/49/39/344514939.db2.gz UBAVPFPJGKZHSU-SNVBAGLBSA-N 1 1 191.205 1.359 10 30 ADEEMO C#CC[C@H]([NH3+])C(=O)c1ccccc1C 226829595 344514946 /nfs/dbraw/zinc/51/49/46/344514946.db2.gz WJPYQXRXVGKLRL-NSHDSACASA-N 1 1 187.242 1.528 10 30 ADEEMO C#CC[C@@H]([NH3+])C(=O)c1ccccc1C 226829585 344515118 /nfs/dbraw/zinc/51/51/18/344515118.db2.gz WJPYQXRXVGKLRL-LLVKDONJSA-N 1 1 187.242 1.528 10 30 ADEEMO C#CC[C@H]([NH3+])C(=O)c1sccc1C 226827247 344515152 /nfs/dbraw/zinc/51/51/52/344515152.db2.gz KBJARJQEXMPBBR-QMMMGPOBSA-N 1 1 193.271 1.590 10 30 ADEEMO CCCN[C@]1(C#N)CC[N@@H+](C)[C@@H](C)C1 226838574 344515356 /nfs/dbraw/zinc/51/53/56/344515356.db2.gz SRRQWWLDQOGVQP-WDEREUQCSA-N 1 1 195.310 1.362 10 30 ADEEMO CC#CCN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 226876025 344516383 /nfs/dbraw/zinc/51/63/83/344516383.db2.gz ZJIDAHSIXGMEPY-WDEREUQCSA-N 1 1 180.295 1.082 10 30 ADEEMO CC#CC[NH2+][C@@H]1CCN(C)[C@@H](C)C1 226876025 344516384 /nfs/dbraw/zinc/51/63/84/344516384.db2.gz ZJIDAHSIXGMEPY-WDEREUQCSA-N 1 1 180.295 1.082 10 30 ADEEMO CC#CCN[C@H]1CC[N@@H+](C)[C@@H](C)C1 226876031 344516390 /nfs/dbraw/zinc/51/63/90/344516390.db2.gz ZJIDAHSIXGMEPY-QWRGUYRKSA-N 1 1 180.295 1.082 10 30 ADEEMO CC#CC[NH2+][C@H]1CCN(C)[C@@H](C)C1 226876031 344516391 /nfs/dbraw/zinc/51/63/91/344516391.db2.gz ZJIDAHSIXGMEPY-QWRGUYRKSA-N 1 1 180.295 1.082 10 30 ADEEMO CC[C@@H]1CCC[N@H+](C[C@@H](N)C#N)CC1 227005664 344518824 /nfs/dbraw/zinc/51/88/24/344518824.db2.gz XALCOWNGBVHROL-MNOVXSKESA-N 1 1 195.310 1.349 10 30 ADEEMO CC[C@@H]1CCC[N@@H+](C[C@@H](N)C#N)CC1 227005664 344518826 /nfs/dbraw/zinc/51/88/26/344518826.db2.gz XALCOWNGBVHROL-MNOVXSKESA-N 1 1 195.310 1.349 10 30 ADEEMO CC#CCC[N@H+]1C[C@H](CC)NC[C@@H]1C 226994104 344518881 /nfs/dbraw/zinc/51/88/81/344518881.db2.gz ZSDKSJOZXHVKFZ-RYUDHWBXSA-N 1 1 194.322 1.472 10 30 ADEEMO CC#CCC[N@@H+]1C[C@H](CC)NC[C@@H]1C 226994104 344518883 /nfs/dbraw/zinc/51/88/83/344518883.db2.gz ZSDKSJOZXHVKFZ-RYUDHWBXSA-N 1 1 194.322 1.472 10 30 ADEEMO CC[C@H]1CCC[N@H+](C[C@@H](N)C#N)CC1 227005679 344518960 /nfs/dbraw/zinc/51/89/60/344518960.db2.gz XALCOWNGBVHROL-QWRGUYRKSA-N 1 1 195.310 1.349 10 30 ADEEMO CC[C@H]1CCC[N@@H+](C[C@@H](N)C#N)CC1 227005679 344518962 /nfs/dbraw/zinc/51/89/62/344518962.db2.gz XALCOWNGBVHROL-QWRGUYRKSA-N 1 1 195.310 1.349 10 30 ADEEMO CC[N@H+](CCC#N)[C@H]1CCCOC1 227080775 344521534 /nfs/dbraw/zinc/52/15/34/344521534.db2.gz RKFMVIOBKIPFOU-JTQLQIEISA-N 1 1 182.267 1.401 10 30 ADEEMO CC[N@@H+](CCC#N)[C@H]1CCCOC1 227080775 344521537 /nfs/dbraw/zinc/52/15/37/344521537.db2.gz RKFMVIOBKIPFOU-JTQLQIEISA-N 1 1 182.267 1.401 10 30 ADEEMO CC[N@H+](CCC#N)[C@@H]1CCCOC1 227080769 344521719 /nfs/dbraw/zinc/52/17/19/344521719.db2.gz RKFMVIOBKIPFOU-SNVBAGLBSA-N 1 1 182.267 1.401 10 30 ADEEMO CC[N@@H+](CCC#N)[C@@H]1CCCOC1 227080769 344521722 /nfs/dbraw/zinc/52/17/22/344521722.db2.gz RKFMVIOBKIPFOU-SNVBAGLBSA-N 1 1 182.267 1.401 10 30 ADEEMO C1C[C@H]2CCC[N@H+](C[C@@H]3CO3)[C@H]2C1 227166825 344523953 /nfs/dbraw/zinc/52/39/53/344523953.db2.gz KSKLFRCSMJBVHT-AXFHLTTASA-N 1 1 181.279 1.650 10 30 ADEEMO C1C[C@H]2CCC[N@H+](C[C@H]3CO3)[C@H]2C1 227166831 344524013 /nfs/dbraw/zinc/52/40/13/344524013.db2.gz KSKLFRCSMJBVHT-DCAQKATOSA-N 1 1 181.279 1.650 10 30 ADEEMO O=CC[N@H+]1CCC[C@@H]2CCC[C@@H]21 227171356 344524561 /nfs/dbraw/zinc/52/45/61/344524561.db2.gz KXTHSQMJZPWIRT-UWVGGRQHSA-N 1 1 167.252 1.450 10 30 ADEEMO C[C@H](CS)C[N@H+]1CC[C@@H](C)C1 227260147 344526579 /nfs/dbraw/zinc/52/65/79/344526579.db2.gz BAJGHDPJNIQOAG-BDAKNGLRSA-N 1 1 173.325 1.894 10 30 ADEEMO C[C@H]1CO[C@H](C)C[N@H+]1CCS 227257492 344526828 /nfs/dbraw/zinc/52/68/28/344526828.db2.gz MUNZTHYMZXIXQL-JGVFFNPUSA-N 1 1 175.297 1.025 10 30 ADEEMO C[C@H]1C[N@@H+](CCCS)[C@@H](C)CO1 227257420 344526857 /nfs/dbraw/zinc/52/68/57/344526857.db2.gz YPKWJFHPZOJLAP-IUCAKERBSA-N 1 1 189.324 1.416 10 30 ADEEMO C[C@H]1CO[C@H](C)C[N@H+]1CCCS 227257413 344526866 /nfs/dbraw/zinc/52/68/66/344526866.db2.gz YPKWJFHPZOJLAP-DTWKUNHWSA-N 1 1 189.324 1.416 10 30 ADEEMO C[C@H]1C[N@@H+](CCS)[C@@H](C)CO1 227257496 344526930 /nfs/dbraw/zinc/52/69/30/344526930.db2.gz MUNZTHYMZXIXQL-YUMQZZPRSA-N 1 1 175.297 1.025 10 30 ADEEMO CC[N@@H+](C)[C@H]1CCC[C@](C#N)(NC)C1 227312754 344528264 /nfs/dbraw/zinc/52/82/64/344528264.db2.gz KEAFPOMXEZZGOO-QWRGUYRKSA-N 1 1 195.310 1.362 10 30 ADEEMO C#CC[NH2+][C@]1(CN)CCC[C@H](C)[C@@H]1C 227320374 344528746 /nfs/dbraw/zinc/52/87/46/344528746.db2.gz UMIBTKBHTQKLCF-SRVKXCTJSA-N 1 1 194.322 1.363 10 30 ADEEMO C#CC[NH2+][C@]1(CN)C[C@H](C)CC[C@@H]1C 227320020 344528764 /nfs/dbraw/zinc/52/87/64/344528764.db2.gz KGCBUPYBRAKMAJ-WOPDTQHZSA-N 1 1 194.322 1.363 10 30 ADEEMO C#CC[NH2+][C@]1(CN)C[C@@H](C)CC[C@@H]1C 227320012 344528828 /nfs/dbraw/zinc/52/88/28/344528828.db2.gz KGCBUPYBRAKMAJ-SRVKXCTJSA-N 1 1 194.322 1.363 10 30 ADEEMO C#CC[NH2+][C@]1(CN)CC[C@H](C)C[C@@H]1C 227320158 344528932 /nfs/dbraw/zinc/52/89/32/344528932.db2.gz MECVUXKGWMJUBJ-SRVKXCTJSA-N 1 1 194.322 1.363 10 30 ADEEMO N#C[C@@H]1CCCC[C@@H]1[N@H+]1CC[C@@H](O)C1 227342781 344529281 /nfs/dbraw/zinc/52/92/81/344529281.db2.gz HLRMVICGEGRKMP-AXFHLTTASA-N 1 1 194.278 1.135 10 30 ADEEMO N#C[C@@H]1CCCC[C@H]1[N@H+]1CC[C@@H](O)C1 227342796 344529307 /nfs/dbraw/zinc/52/93/07/344529307.db2.gz HLRMVICGEGRKMP-HBNTYKKESA-N 1 1 194.278 1.135 10 30 ADEEMO C#CC[C@H]([NH3+])c1nc([C@@H]2C[C@@H]2C)no1 227528551 344533541 /nfs/dbraw/zinc/53/35/41/344533541.db2.gz CBKTZBAHHGVNDW-RNJXMRFFSA-N 1 1 191.234 1.216 10 30 ADEEMO C#CC[C@H]([NH3+])c1nc([C@H]2C[C@@H]2C)no1 227528557 344533631 /nfs/dbraw/zinc/53/36/31/344533631.db2.gz CBKTZBAHHGVNDW-FXQIFTODSA-N 1 1 191.234 1.216 10 30 ADEEMO C#C[C@H]([NH3+])c1ncc(C)cc1C 227564899 344535388 /nfs/dbraw/zinc/53/53/88/344535388.db2.gz BYTVSLOGQHYQDT-VIFPVBQESA-N 1 1 160.220 1.331 10 30 ADEEMO C#C[C@@H]([NH3+])c1ncc(C)cc1C 227564891 344535403 /nfs/dbraw/zinc/53/54/03/344535403.db2.gz BYTVSLOGQHYQDT-SECBINFHSA-N 1 1 160.220 1.331 10 30 ADEEMO C=C[C@H](C)[N@@H+]1CCC[C@@H](C#N)C1 227577226 344535798 /nfs/dbraw/zinc/53/57/98/344535798.db2.gz ULFFMPIEPXRLCU-UWVGGRQHSA-N 1 1 164.252 1.796 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCC[C@@H](C#N)C1 227577226 344535800 /nfs/dbraw/zinc/53/58/00/344535800.db2.gz ULFFMPIEPXRLCU-UWVGGRQHSA-N 1 1 164.252 1.796 10 30 ADEEMO C=C[C@@H](C)[N@@H+]1CCC[C@@H](C#N)C1 227577220 344536146 /nfs/dbraw/zinc/53/61/46/344536146.db2.gz ULFFMPIEPXRLCU-ZJUUUORDSA-N 1 1 164.252 1.796 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCC[C@@H](C#N)C1 227577220 344536148 /nfs/dbraw/zinc/53/61/48/344536148.db2.gz ULFFMPIEPXRLCU-ZJUUUORDSA-N 1 1 164.252 1.796 10 30 ADEEMO C=CC[C@@H](C)[NH2+][C@H](C(=O)OC)C1CC1 227770247 344546485 /nfs/dbraw/zinc/54/64/85/344546485.db2.gz BVUIPGUQEKYWBG-SCZZXKLOSA-N 1 1 197.278 1.492 10 30 ADEEMO C=CC[C@H](C)[NH2+][C@@H](C(=O)OC)C1CC1 227770243 344546516 /nfs/dbraw/zinc/54/65/16/344546516.db2.gz BVUIPGUQEKYWBG-WCBMZHEXSA-N 1 1 197.278 1.492 10 30 ADEEMO C=CC[C@H](C)[NH2+][C@H](C(=O)OC)C1CC1 227770253 344546676 /nfs/dbraw/zinc/54/66/76/344546676.db2.gz BVUIPGUQEKYWBG-WPRPVWTQSA-N 1 1 197.278 1.492 10 30 ADEEMO C1CC[C@@H]2[C@@H](C1)CC[N@@H+]2C[C@H]1CO1 227972985 344553458 /nfs/dbraw/zinc/55/34/58/344553458.db2.gz MJNFJSGETBCRKQ-GARJFASQSA-N 1 1 181.279 1.650 10 30 ADEEMO C#CC[NH2+][C@]1(CN)C[C@@H](C)CC[C@H]1C 228008765 344554625 /nfs/dbraw/zinc/55/46/25/344554625.db2.gz KGCBUPYBRAKMAJ-TUAOUCFPSA-N 1 1 194.322 1.363 10 30 ADEEMO C1C[C@@H]2C[N@@H+](C[C@H]3CO3)C[C@@H]2C1 228007074 344554663 /nfs/dbraw/zinc/55/46/63/344554663.db2.gz KDICJWVSNMSCRV-AEJSXWLSSA-N 1 1 167.252 1.117 10 30 ADEEMO C#CC[NH2+][C@]1(CN)C[C@H](C)CC[C@H]1C 228008753 344554911 /nfs/dbraw/zinc/55/49/11/344554911.db2.gz KGCBUPYBRAKMAJ-UTUOFQBUSA-N 1 1 194.322 1.363 10 30 ADEEMO C1C[C@H]2CCC[N@H+](C[C@H]3CO3)[C@@H]2C1 228011917 344555455 /nfs/dbraw/zinc/55/54/55/344555455.db2.gz KSKLFRCSMJBVHT-GARJFASQSA-N 1 1 181.279 1.650 10 30 ADEEMO C[C@@H]1CC[C@@H](C)[N@@H+](C[C@@](C)(N)C#N)C1 228015500 344555486 /nfs/dbraw/zinc/55/54/86/344555486.db2.gz UNBRGCHXSJRGJX-MXWKQRLJSA-N 1 1 195.310 1.348 10 30 ADEEMO C[C@H]1CC[C@@H](C)C[N@@H+]1C[C@@](C)(N)C#N 228015525 344555651 /nfs/dbraw/zinc/55/56/51/344555651.db2.gz UNBRGCHXSJRGJX-VWYCJHECSA-N 1 1 195.310 1.348 10 30 ADEEMO C#CC[N@H+]1CCC[C@@H]2CCC[C@H]21 228041141 344556587 /nfs/dbraw/zinc/55/65/87/344556587.db2.gz AUNILHGABNGQAS-WDEREUQCSA-N 1 1 163.264 1.884 10 30 ADEEMO CC(C)(C#N)[C@]1(O)CC[N@H+]2CCC[C@H]21 228036146 344556710 /nfs/dbraw/zinc/55/67/10/344556710.db2.gz DKKSOEYCBBSQMH-ONGXEEELSA-N 1 1 194.278 1.135 10 30 ADEEMO C#CC[N@H+]1CCC[C@H]2CCC[C@H]21 228041153 344556728 /nfs/dbraw/zinc/55/67/28/344556728.db2.gz AUNILHGABNGQAS-GHMZBOCLSA-N 1 1 163.264 1.884 10 30 ADEEMO CC(C)(C#N)[C@@]1(O)CC[N@H+]2CCC[C@H]21 228036132 344556825 /nfs/dbraw/zinc/55/68/25/344556825.db2.gz DKKSOEYCBBSQMH-GXSJLCMTSA-N 1 1 194.278 1.135 10 30 ADEEMO C=C[C@H](C)[N@H+]1CC[C@H]([C@H](C)O)C1 228167087 344558313 /nfs/dbraw/zinc/55/83/13/344558313.db2.gz OFSZLRMLEJPIAS-GUBZILKMSA-N 1 1 169.268 1.264 10 30 ADEEMO C#CC[C@H]([NH3+])c1nc([C@@H]2C[C@H]2C)no1 228181947 344558434 /nfs/dbraw/zinc/55/84/34/344558434.db2.gz CBKTZBAHHGVNDW-PRJMDXOYSA-N 1 1 191.234 1.216 10 30 ADEEMO C=C[C@H](C)[N@H+]1CC[C@@H]([C@H](C)O)C1 228167075 344558501 /nfs/dbraw/zinc/55/85/01/344558501.db2.gz OFSZLRMLEJPIAS-LPEHRKFASA-N 1 1 169.268 1.264 10 30 ADEEMO C#CC[C@H]([NH3+])c1nc([C@H]2C[C@H]2C)no1 228181935 344558527 /nfs/dbraw/zinc/55/85/27/344558527.db2.gz CBKTZBAHHGVNDW-CSMHCCOUSA-N 1 1 191.234 1.216 10 30 ADEEMO CCN[C@@]1(C#N)CC[N@@H+]2CCCC[C@H]21 228258014 344560891 /nfs/dbraw/zinc/56/08/91/344560891.db2.gz WHGAVAJWGAPHFI-WDEREUQCSA-N 1 1 193.294 1.116 10 30 ADEEMO CCN[C@@]1(C#N)CC[N@H+]2CCCC[C@H]21 228258014 344560895 /nfs/dbraw/zinc/56/08/95/344560895.db2.gz WHGAVAJWGAPHFI-WDEREUQCSA-N 1 1 193.294 1.116 10 30 ADEEMO CCN[C@]1(C#N)CC[N@@H+]2CCCC[C@H]21 228258005 344560951 /nfs/dbraw/zinc/56/09/51/344560951.db2.gz WHGAVAJWGAPHFI-QWRGUYRKSA-N 1 1 193.294 1.116 10 30 ADEEMO CCN[C@]1(C#N)CC[N@H+]2CCCC[C@H]21 228258005 344560954 /nfs/dbraw/zinc/56/09/54/344560954.db2.gz WHGAVAJWGAPHFI-QWRGUYRKSA-N 1 1 193.294 1.116 10 30 ADEEMO CN(C)[C@@]1(C#N)CC[N@H+]2CCCC[C@H]21 228271385 344561191 /nfs/dbraw/zinc/56/11/91/344561191.db2.gz HRECJWNVEDOROS-WDEREUQCSA-N 1 1 193.294 1.069 10 30 ADEEMO CN(C)[C@]1(C#N)CC[N@H+]2CCCC[C@H]21 228271373 344561266 /nfs/dbraw/zinc/56/12/66/344561266.db2.gz HRECJWNVEDOROS-QWRGUYRKSA-N 1 1 193.294 1.069 10 30 ADEEMO C=CC[C@]1(O)CC[N@H+]2CCCC[C@H]21 228266375 344561510 /nfs/dbraw/zinc/56/15/10/344561510.db2.gz POBASPCZGBHOFE-QWRGUYRKSA-N 1 1 181.279 1.552 10 30 ADEEMO CC[C@H]1CCCCC[N@H+]1C[C@@H](N)C#N 228572342 344563783 /nfs/dbraw/zinc/56/37/83/344563783.db2.gz MDEBZPNMZMTUPM-QWRGUYRKSA-N 1 1 195.310 1.492 10 30 ADEEMO C=C(C)C[N@@H+]1C[C@@H](C)NC[C@@H]1C(C)C 228746504 344567260 /nfs/dbraw/zinc/56/72/60/344567260.db2.gz QDOOXJURTVNJIA-VXGBXAGGSA-N 1 1 196.338 1.881 10 30 ADEEMO C=C(C)CN1C[C@@H](C)[NH2+]C[C@@H]1C(C)C 228746504 344567264 /nfs/dbraw/zinc/56/72/64/344567264.db2.gz QDOOXJURTVNJIA-VXGBXAGGSA-N 1 1 196.338 1.881 10 30 ADEEMO C=C(C)C[N@@H+]1C[C@H](C)NC[C@@H]1C(C)C 228746494 344567441 /nfs/dbraw/zinc/56/74/41/344567441.db2.gz QDOOXJURTVNJIA-NWDGAFQWSA-N 1 1 196.338 1.881 10 30 ADEEMO C=C(C)CN1C[C@H](C)[NH2+]C[C@@H]1C(C)C 228746494 344567444 /nfs/dbraw/zinc/56/74/44/344567444.db2.gz QDOOXJURTVNJIA-NWDGAFQWSA-N 1 1 196.338 1.881 10 30 ADEEMO CC#CC[N@H+]1CC[C@H]([NH3+])[C@@H](C)[C@@H]1C 228815809 344569014 /nfs/dbraw/zinc/56/90/14/344569014.db2.gz MAXRCJUEQDQGKI-DCAQKATOSA-N 1 1 180.295 1.067 10 30 ADEEMO CC#CCN1CC[C@H]([NH3+])[C@@H](C)[C@@H]1C 228815809 344569016 /nfs/dbraw/zinc/56/90/16/344569016.db2.gz MAXRCJUEQDQGKI-DCAQKATOSA-N 1 1 180.295 1.067 10 30 ADEEMO CC#CC[NH2+]C/C(Cl)=C\Cl 228811203 344569195 /nfs/dbraw/zinc/56/91/95/344569195.db2.gz RCXDSYNHPYWQPK-FNORWQNLSA-N 1 1 178.062 1.918 10 30 ADEEMO CC(C)[C@@H]1CC[N@@H+](C[C@@](C)(N)C#N)C1 228792962 344569266 /nfs/dbraw/zinc/56/92/66/344569266.db2.gz QZZNLQISETVRCO-MNOVXSKESA-N 1 1 195.310 1.205 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CCC(=O)[C@@H](C)C1 228922479 344574885 /nfs/dbraw/zinc/57/48/85/344574885.db2.gz LRUBCVWJGUPWLT-VHSXEESVSA-N 1 1 181.279 1.862 10 30 ADEEMO C=CC[C@@H](C)N1CC[NH2+]C[C@@H]1C 228954682 344577248 /nfs/dbraw/zinc/57/72/48/344577248.db2.gz RIWUNIKNPXOHAP-ZJUUUORDSA-N 1 1 168.284 1.245 10 30 ADEEMO C#CC[C@H](CC)[N@H+]1CCC(=O)C[C@@H]1C 228968711 344577844 /nfs/dbraw/zinc/57/78/44/344577844.db2.gz WGXYVKIZBMFQJS-QWRGUYRKSA-N 1 1 193.290 1.842 10 30 ADEEMO C#CC[C@@H](C)[N@H+]1CCC(=O)[C@@H](C)C1 228966559 344577866 /nfs/dbraw/zinc/57/78/66/344577866.db2.gz ZEMINVIXUCXGKE-VHSXEESVSA-N 1 1 179.263 1.309 10 30 ADEEMO C#CC[C@H](C)[NH+]1CCC(=O)CC1 228966483 344577898 /nfs/dbraw/zinc/57/78/98/344577898.db2.gz VTUSWMRSNLJRCO-VIFPVBQESA-N 1 1 165.236 1.063 10 30 ADEEMO C#CC[C@H](C)N1CC[C@H]([NH2+]C)[C@@H](C)C1 228969713 344577906 /nfs/dbraw/zinc/57/79/06/344577906.db2.gz BVEYULQGMDQTNL-SRVKXCTJSA-N 1 1 194.322 1.328 10 30 ADEEMO C#CC[C@H](C)[N@H+]1CCC(=O)[C@@H](C)C1 228966554 344577915 /nfs/dbraw/zinc/57/79/15/344577915.db2.gz ZEMINVIXUCXGKE-UWVGGRQHSA-N 1 1 179.263 1.309 10 30 ADEEMO C#CC[C@@H](C)[NH+]1CCC(=O)CC1 228966499 344577945 /nfs/dbraw/zinc/57/79/45/344577945.db2.gz VTUSWMRSNLJRCO-SECBINFHSA-N 1 1 165.236 1.063 10 30 ADEEMO C#CC[C@@H](CC)[N@H+]1CCC(=O)C[C@@H]1C 228968721 344577956 /nfs/dbraw/zinc/57/79/56/344577956.db2.gz WGXYVKIZBMFQJS-WDEREUQCSA-N 1 1 193.290 1.842 10 30 ADEEMO C#CC[C@H](C)N1CC[C@@H]([NH2+]C)[C@@H](C)C1 228969696 344577984 /nfs/dbraw/zinc/57/79/84/344577984.db2.gz BVEYULQGMDQTNL-SDDRHHMPSA-N 1 1 194.322 1.328 10 30 ADEEMO C#CC[C@H](C)[N@H+]1CCC(=O)C[C@@H]1C 228969540 344578125 /nfs/dbraw/zinc/57/81/25/344578125.db2.gz PNDINJUNDKNVBP-UWVGGRQHSA-N 1 1 179.263 1.452 10 30 ADEEMO C#CC[C@@H](C)[N@H+]1CCC(=O)C[C@@H]1C 228969554 344578152 /nfs/dbraw/zinc/57/81/52/344578152.db2.gz PNDINJUNDKNVBP-ZJUUUORDSA-N 1 1 179.263 1.452 10 30 ADEEMO C#CC[C@H](CC)[N@H+]1CCNC[C@@H]1C 229036588 344579933 /nfs/dbraw/zinc/57/99/33/344579933.db2.gz VQZURRKRPFZGSD-QWRGUYRKSA-N 1 1 180.295 1.082 10 30 ADEEMO C#CC[C@H](CC)N1CC[NH2+]C[C@@H]1C 229036588 344579936 /nfs/dbraw/zinc/57/99/36/344579936.db2.gz VQZURRKRPFZGSD-QWRGUYRKSA-N 1 1 180.295 1.082 10 30 ADEEMO C#CC[C@@H](CC)[N@H+]1CCNC[C@@H]1C 229036600 344580032 /nfs/dbraw/zinc/58/00/32/344580032.db2.gz VQZURRKRPFZGSD-WDEREUQCSA-N 1 1 180.295 1.082 10 30 ADEEMO C#CC[C@@H](CC)N1CC[NH2+]C[C@@H]1C 229036600 344580035 /nfs/dbraw/zinc/58/00/35/344580035.db2.gz VQZURRKRPFZGSD-WDEREUQCSA-N 1 1 180.295 1.082 10 30 ADEEMO C#CC[C@@H](C)N1CC[NH2+]C(C)(C)C1 229040726 344580308 /nfs/dbraw/zinc/58/03/08/344580308.db2.gz APYASOQJRSZIAH-SNVBAGLBSA-N 1 1 180.295 1.082 10 30 ADEEMO C#CC[C@@H](C)[N@H+]1CCNC(C)(C)C1 229040726 344580307 /nfs/dbraw/zinc/58/03/07/344580307.db2.gz APYASOQJRSZIAH-SNVBAGLBSA-N 1 1 180.295 1.082 10 30 ADEEMO C#CC[C@H](C)[N@H+]1CCNC(C)(C)C1 229040711 344580361 /nfs/dbraw/zinc/58/03/61/344580361.db2.gz APYASOQJRSZIAH-JTQLQIEISA-N 1 1 180.295 1.082 10 30 ADEEMO C#CC[C@H](C)N1CC[NH2+]C(C)(C)C1 229040711 344580362 /nfs/dbraw/zinc/58/03/62/344580362.db2.gz APYASOQJRSZIAH-JTQLQIEISA-N 1 1 180.295 1.082 10 30 ADEEMO C#CC[C@H](C)[N@H+]1C[C@@H](C)NC[C@@H]1C 229040814 344580367 /nfs/dbraw/zinc/58/03/67/344580367.db2.gz AKMYQBSDZHDUSN-VWYCJHECSA-N 1 1 180.295 1.080 10 30 ADEEMO C#CC[C@H](C)N1C[C@@H](C)[NH2+]C[C@@H]1C 229040814 344580368 /nfs/dbraw/zinc/58/03/68/344580368.db2.gz AKMYQBSDZHDUSN-VWYCJHECSA-N 1 1 180.295 1.080 10 30 ADEEMO C#CC[C@H](C)[N@@H+]1CCNC[C@H]1CC 229039153 344580380 /nfs/dbraw/zinc/58/03/80/344580380.db2.gz IHJNZMPPAITFEM-WDEREUQCSA-N 1 1 180.295 1.082 10 30 ADEEMO C#CC[C@H](C)N1CC[NH2+]C[C@H]1CC 229039153 344580381 /nfs/dbraw/zinc/58/03/81/344580381.db2.gz IHJNZMPPAITFEM-WDEREUQCSA-N 1 1 180.295 1.082 10 30 ADEEMO C#CC[C@H](C)[N@@H+]1CCNC[C@@H]1C(C)C 229041169 344580395 /nfs/dbraw/zinc/58/03/95/344580395.db2.gz AHSCTVAWWLUMGP-NWDGAFQWSA-N 1 1 194.322 1.328 10 30 ADEEMO C#CC[C@H](C)N1CC[NH2+]C[C@@H]1C(C)C 229041169 344580397 /nfs/dbraw/zinc/58/03/97/344580397.db2.gz AHSCTVAWWLUMGP-NWDGAFQWSA-N 1 1 194.322 1.328 10 30 ADEEMO C#CC[C@H](C)[N@@H+]1CCCN[C@@H](C)C1 229039316 344580448 /nfs/dbraw/zinc/58/04/48/344580448.db2.gz UFATYBKTIRHTDX-QWRGUYRKSA-N 1 1 180.295 1.082 10 30 ADEEMO C#CC[C@H](C)[N@H+]1CCCN[C@@H](C)C1 229039316 344580450 /nfs/dbraw/zinc/58/04/50/344580450.db2.gz UFATYBKTIRHTDX-QWRGUYRKSA-N 1 1 180.295 1.082 10 30 ADEEMO C#CC[C@H](C)N1CCC[NH2+][C@@H](C)C1 229039316 344580452 /nfs/dbraw/zinc/58/04/52/344580452.db2.gz UFATYBKTIRHTDX-QWRGUYRKSA-N 1 1 180.295 1.082 10 30 ADEEMO C#CC[C@@H](C)[N@@H+]1CCCN[C@@H](C)C1 229039327 344580480 /nfs/dbraw/zinc/58/04/80/344580480.db2.gz UFATYBKTIRHTDX-WDEREUQCSA-N 1 1 180.295 1.082 10 30 ADEEMO C#CC[C@@H](C)[N@H+]1CCCN[C@@H](C)C1 229039327 344580483 /nfs/dbraw/zinc/58/04/83/344580483.db2.gz UFATYBKTIRHTDX-WDEREUQCSA-N 1 1 180.295 1.082 10 30 ADEEMO C#CC[C@@H](C)N1CCC[NH2+][C@@H](C)C1 229039327 344580486 /nfs/dbraw/zinc/58/04/86/344580486.db2.gz UFATYBKTIRHTDX-WDEREUQCSA-N 1 1 180.295 1.082 10 30 ADEEMO C#CC[C@H](C)[N@H+]1CCN[C@@H](C(C)C)C1 229041051 344580587 /nfs/dbraw/zinc/58/05/87/344580587.db2.gz KQLQLOWTNJKWEC-NWDGAFQWSA-N 1 1 194.322 1.328 10 30 ADEEMO C#CC[C@H](C)[N@@H+]1CCN[C@@H](C(C)C)C1 229041051 344580590 /nfs/dbraw/zinc/58/05/90/344580590.db2.gz KQLQLOWTNJKWEC-NWDGAFQWSA-N 1 1 194.322 1.328 10 30 ADEEMO C#C[C@H](C)[NH2+]C/C(Cl)=C\Cl 229152145 344584100 /nfs/dbraw/zinc/58/41/00/344584100.db2.gz CZSAFZNHSUXTHN-PDKRUMACSA-N 1 1 178.062 1.917 10 30 ADEEMO C#C[C@@H](C)[NH2+]C/C(Cl)=C\Cl 229152133 344584194 /nfs/dbraw/zinc/58/41/94/344584194.db2.gz CZSAFZNHSUXTHN-LTYDNXFVSA-N 1 1 178.062 1.917 10 30 ADEEMO C=C[C@H](C)[N@@H+]1CCC(=O)[C@@H](C)C1 229231145 344586778 /nfs/dbraw/zinc/58/67/78/344586778.db2.gz QHNULNVIKTZNSY-IUCAKERBSA-N 1 1 167.252 1.472 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCC(=O)[C@@H](C)C1 229231145 344586779 /nfs/dbraw/zinc/58/67/79/344586779.db2.gz QHNULNVIKTZNSY-IUCAKERBSA-N 1 1 167.252 1.472 10 30 ADEEMO C=C[C@H](C)[N@@H+]1CC[C@H]([NH2+]C)[C@@H](C)[C@@H]1C 229233003 344586783 /nfs/dbraw/zinc/58/67/83/344586783.db2.gz FISVUNBUVBJBNZ-BJDJZHNGSA-N 1 1 196.338 1.879 10 30 ADEEMO C=C[C@H](C)N1CC[C@H]([NH2+]C)[C@@H](C)[C@@H]1C 229233003 344586784 /nfs/dbraw/zinc/58/67/84/344586784.db2.gz FISVUNBUVBJBNZ-BJDJZHNGSA-N 1 1 196.338 1.879 10 30 ADEEMO C=C[C@H](C)[N@@H+]1CCC(=O)C[C@@H]1C 229233207 344586815 /nfs/dbraw/zinc/58/68/15/344586815.db2.gz JQWVIDKUKIRXMT-IUCAKERBSA-N 1 1 167.252 1.614 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCC(=O)C[C@@H]1C 229233207 344586816 /nfs/dbraw/zinc/58/68/16/344586816.db2.gz JQWVIDKUKIRXMT-IUCAKERBSA-N 1 1 167.252 1.614 10 30 ADEEMO C=C[C@@H](C)[N@@H+]1CCC(=O)[C@@H](C)C1 229231155 344586831 /nfs/dbraw/zinc/58/68/31/344586831.db2.gz QHNULNVIKTZNSY-DTWKUNHWSA-N 1 1 167.252 1.472 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCC(=O)[C@@H](C)C1 229231155 344586833 /nfs/dbraw/zinc/58/68/33/344586833.db2.gz QHNULNVIKTZNSY-DTWKUNHWSA-N 1 1 167.252 1.472 10 30 ADEEMO C=C[C@@H](C)[N@@H+]1CCC(=O)C[C@@H]1C 229233219 344586972 /nfs/dbraw/zinc/58/69/72/344586972.db2.gz JQWVIDKUKIRXMT-BDAKNGLRSA-N 1 1 167.252 1.614 10 30 ADEEMO C=C[C@H](C)[N@@H+]1CCNC(C)(C)C1 229289760 344588867 /nfs/dbraw/zinc/58/88/67/344588867.db2.gz QNQMDCJUJORMGZ-VIFPVBQESA-N 1 1 168.284 1.245 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCNC(C)(C)C1 229289760 344588869 /nfs/dbraw/zinc/58/88/69/344588869.db2.gz QNQMDCJUJORMGZ-VIFPVBQESA-N 1 1 168.284 1.245 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCC[NH2+]C(C)(C)C1 229287694 344588880 /nfs/dbraw/zinc/58/88/80/344588880.db2.gz QFQZUKQJYKWLAF-JTQLQIEISA-N 1 1 182.311 1.635 10 30 ADEEMO C=C[C@H](C)N1CCC[NH2+]C(C)(C)C1 229287694 344588881 /nfs/dbraw/zinc/58/88/81/344588881.db2.gz QFQZUKQJYKWLAF-JTQLQIEISA-N 1 1 182.311 1.635 10 30 ADEEMO C=C[C@@H](C)[N@@H+]1CC(C)(C)NC[C@@H]1C 229288119 344588889 /nfs/dbraw/zinc/58/88/89/344588889.db2.gz JBTJDFRMMHSTRL-ZJUUUORDSA-N 1 1 182.311 1.633 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCNC[C@H]1C(C)C 229290130 344588910 /nfs/dbraw/zinc/58/89/10/344588910.db2.gz GKYAGFSHYVQCJM-QWRGUYRKSA-N 1 1 182.311 1.491 10 30 ADEEMO C=C[C@H](C)[N@@H+]1CCNC[C@H]1C(C)C 229290130 344588913 /nfs/dbraw/zinc/58/89/13/344588913.db2.gz GKYAGFSHYVQCJM-QWRGUYRKSA-N 1 1 182.311 1.491 10 30 ADEEMO C=C[C@H](C)[N@H+]1C[C@@H](C)NC[C@@H]1CC 229287424 344588917 /nfs/dbraw/zinc/58/89/17/344588917.db2.gz CAZOBFYJXFBPOJ-VWYCJHECSA-N 1 1 182.311 1.633 10 30 ADEEMO C=C[C@H](C)[N@@H+]1C[C@@H](C)NC[C@@H]1CC 229287424 344588920 /nfs/dbraw/zinc/58/89/20/344588920.db2.gz CAZOBFYJXFBPOJ-VWYCJHECSA-N 1 1 182.311 1.633 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCN[C@](C)(CC)C1 229290082 344588934 /nfs/dbraw/zinc/58/89/34/344588934.db2.gz CMLGRJPJFBMWPI-WDEREUQCSA-N 1 1 182.311 1.635 10 30 ADEEMO C=C[C@H](C)[N@@H+]1CCN[C@](C)(CC)C1 229290082 344588935 /nfs/dbraw/zinc/58/89/35/344588935.db2.gz CMLGRJPJFBMWPI-WDEREUQCSA-N 1 1 182.311 1.635 10 30 ADEEMO C=C[C@H](C)[N@H+]1C[C@H](C)NC[C@H]1CC 229287400 344588971 /nfs/dbraw/zinc/58/89/71/344588971.db2.gz CAZOBFYJXFBPOJ-GARJFASQSA-N 1 1 182.311 1.633 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCC[NH2+][C@@H](C)C1 229287638 344588980 /nfs/dbraw/zinc/58/89/80/344588980.db2.gz VSTJWIJGCNOPAA-UWVGGRQHSA-N 1 1 168.284 1.245 10 30 ADEEMO C=C[C@H](C)N1CCC[NH2+][C@@H](C)C1 229287638 344588982 /nfs/dbraw/zinc/58/89/82/344588982.db2.gz VSTJWIJGCNOPAA-UWVGGRQHSA-N 1 1 168.284 1.245 10 30 ADEEMO C=C[C@H](C)[N@H+]1C[C@@H](CC)NC[C@@H]1C 229289899 344589027 /nfs/dbraw/zinc/58/90/27/344589027.db2.gz DQFAZCDDEUTGGM-GARJFASQSA-N 1 1 182.311 1.633 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCNC[C@@H]1C(C)C 229290136 344589047 /nfs/dbraw/zinc/58/90/47/344589047.db2.gz GKYAGFSHYVQCJM-WDEREUQCSA-N 1 1 182.311 1.491 10 30 ADEEMO C=C[C@H](C)[N@@H+]1CCNC[C@@H]1C(C)C 229290136 344589049 /nfs/dbraw/zinc/58/90/49/344589049.db2.gz GKYAGFSHYVQCJM-WDEREUQCSA-N 1 1 182.311 1.491 10 30 ADEEMO C=C[C@H](C)[N@H+]1C[C@@H](C)NC[C@H]1CC 229287412 344589112 /nfs/dbraw/zinc/58/91/12/344589112.db2.gz CAZOBFYJXFBPOJ-OUAUKWLOSA-N 1 1 182.311 1.633 10 30 ADEEMO C=C[C@H](C)[N@@H+]1C[C@@H](C)NC[C@H]1CC 229287412 344589114 /nfs/dbraw/zinc/58/91/14/344589114.db2.gz CAZOBFYJXFBPOJ-OUAUKWLOSA-N 1 1 182.311 1.633 10 30 ADEEMO C=C[C@H](C)[N@@H+]1C[C@H](C)NC[C@@H]1CC 229287408 344589118 /nfs/dbraw/zinc/58/91/18/344589118.db2.gz CAZOBFYJXFBPOJ-DCAQKATOSA-N 1 1 182.311 1.633 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCN[C@@](C)(CC)C1 229290074 344589127 /nfs/dbraw/zinc/58/91/27/344589127.db2.gz CMLGRJPJFBMWPI-QWRGUYRKSA-N 1 1 182.311 1.635 10 30 ADEEMO C=C[C@H](C)[N@@H+]1CCN[C@@](C)(CC)C1 229290074 344589129 /nfs/dbraw/zinc/58/91/29/344589129.db2.gz CMLGRJPJFBMWPI-QWRGUYRKSA-N 1 1 182.311 1.635 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCC[NH2+][C@@H](C)C1 229287648 344589171 /nfs/dbraw/zinc/58/91/71/344589171.db2.gz VSTJWIJGCNOPAA-VHSXEESVSA-N 1 1 168.284 1.245 10 30 ADEEMO C=C[C@@H](C)N1CCC[NH2+][C@@H](C)C1 229287648 344589173 /nfs/dbraw/zinc/58/91/73/344589173.db2.gz VSTJWIJGCNOPAA-VHSXEESVSA-N 1 1 168.284 1.245 10 30 ADEEMO C=C[C@H](C)[N@H+]1C[C@H](CC)NC[C@@H]1C 229289908 344589195 /nfs/dbraw/zinc/58/91/95/344589195.db2.gz DQFAZCDDEUTGGM-DCAQKATOSA-N 1 1 182.311 1.633 10 30 ADEEMO C=C[C@H](C)[N@@H+]1C[C@H](CC)NC[C@@H]1C 229289908 344589197 /nfs/dbraw/zinc/58/91/97/344589197.db2.gz DQFAZCDDEUTGGM-DCAQKATOSA-N 1 1 182.311 1.633 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCC[NH2+]C(C)(C)C1 229287703 344589203 /nfs/dbraw/zinc/58/92/03/344589203.db2.gz QFQZUKQJYKWLAF-SNVBAGLBSA-N 1 1 182.311 1.635 10 30 ADEEMO C=C[C@@H](C)N1CCC[NH2+]C(C)(C)C1 229287703 344589204 /nfs/dbraw/zinc/58/92/04/344589204.db2.gz QFQZUKQJYKWLAF-SNVBAGLBSA-N 1 1 182.311 1.635 10 30 ADEEMO C=C[C@H](C)Nc1ccc(N)c[nH+]1 229314860 344590673 /nfs/dbraw/zinc/59/06/73/344590673.db2.gz IHLUANLPGKKFEO-ZETCQYMHSA-N 1 1 163.224 1.650 10 30 ADEEMO C=C[C@H](C)Nc1ccc(N)[nH+]c1 229314913 344590795 /nfs/dbraw/zinc/59/07/95/344590795.db2.gz TZEJJPPVBJDJCI-ZETCQYMHSA-N 1 1 163.224 1.650 10 30 ADEEMO C=C[C@@H](C)Nc1ccc(N)[nH+]c1 229314903 344590914 /nfs/dbraw/zinc/59/09/14/344590914.db2.gz TZEJJPPVBJDJCI-SSDOTTSWSA-N 1 1 163.224 1.650 10 30 ADEEMO C=C[C@@H](C)Nc1ccc(N)c[nH+]1 229314850 344590965 /nfs/dbraw/zinc/59/09/65/344590965.db2.gz IHLUANLPGKKFEO-SSDOTTSWSA-N 1 1 163.224 1.650 10 30 ADEEMO C=C[C@H](C)Nc1ccc[nH+]c1N 229317435 344591277 /nfs/dbraw/zinc/59/12/77/344591277.db2.gz XLDNFWNYLVPSCM-ZETCQYMHSA-N 1 1 163.224 1.650 10 30 ADEEMO C=C[C@H](C)N[C@H]1CC[N@H+]2CCCC[C@@H]12 229321043 344591311 /nfs/dbraw/zinc/59/13/11/344591311.db2.gz YELAQTZNLXIBRI-SRVKXCTJSA-N 1 1 194.322 1.777 10 30 ADEEMO C=C[C@H](C)[NH2+][C@H]1CCN2CCCC[C@@H]12 229321043 344591316 /nfs/dbraw/zinc/59/13/16/344591316.db2.gz YELAQTZNLXIBRI-SRVKXCTJSA-N 1 1 194.322 1.777 10 30 ADEEMO C=C[C@H](C)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 229321027 344591368 /nfs/dbraw/zinc/59/13/68/344591368.db2.gz YELAQTZNLXIBRI-TUAOUCFPSA-N 1 1 194.322 1.777 10 30 ADEEMO C=C[C@H](C)[NH2+][C@@H]1CCN2CCCC[C@@H]12 229321027 344591373 /nfs/dbraw/zinc/59/13/73/344591373.db2.gz YELAQTZNLXIBRI-TUAOUCFPSA-N 1 1 194.322 1.777 10 30 ADEEMO CC[C@@](C)(O)C[N@@H+](C)C[C@@H](C)C#N 229341818 344591990 /nfs/dbraw/zinc/59/19/90/344591990.db2.gz CDMYZKVWMHTGAH-VHSXEESVSA-N 1 1 184.283 1.239 10 30 ADEEMO CC[N@@H+](C[C@@H](C)C#N)C[C@@](C)(O)CC 229341736 344591998 /nfs/dbraw/zinc/59/19/98/344591998.db2.gz BTKVZENJEPGELN-QWRGUYRKSA-N 1 1 198.310 1.629 10 30 ADEEMO CC[N@@H+](CCC#N)C[C@@](C)(O)CC 229341777 344592015 /nfs/dbraw/zinc/59/20/15/344592015.db2.gz MMWALQMXVVNABW-JTQLQIEISA-N 1 1 184.283 1.383 10 30 ADEEMO CC[N@@H+](CCC#N)C[C@](C)(O)CC 229341795 344592133 /nfs/dbraw/zinc/59/21/33/344592133.db2.gz MMWALQMXVVNABW-SNVBAGLBSA-N 1 1 184.283 1.383 10 30 ADEEMO CC[C@](C)(O)C[N@@H+](C)C[C@@H](C)C#N 229341833 344592184 /nfs/dbraw/zinc/59/21/84/344592184.db2.gz CDMYZKVWMHTGAH-UWVGGRQHSA-N 1 1 184.283 1.239 10 30 ADEEMO CC[N@@H+](C[C@H](C)C#N)C[C@@](C)(O)CC 229341751 344592341 /nfs/dbraw/zinc/59/23/41/344592341.db2.gz BTKVZENJEPGELN-MNOVXSKESA-N 1 1 198.310 1.629 10 30 ADEEMO C[C@H]1C[C@@H](C)C[N@H+](C[C@@H]2CO2)[C@@H]1C 229391951 344593725 /nfs/dbraw/zinc/59/37/25/344593725.db2.gz ZKQUTWLWTUJPJM-LMLFDSFASA-N 1 1 183.295 1.752 10 30 ADEEMO C#C[C@@H](C)[NH2+]CC(=C)Cl 229555527 344602634 /nfs/dbraw/zinc/60/26/34/344602634.db2.gz HQOXADHAUVKNQA-SSDOTTSWSA-N 1 1 143.617 1.350 10 30 ADEEMO C#C[C@@H](C)[NH2+]CC(=C)Br 229555594 344602810 /nfs/dbraw/zinc/60/28/10/344602810.db2.gz XNTCWMOPTKPMFP-SSDOTTSWSA-N 1 1 188.068 1.506 10 30 ADEEMO C#C[C@H](C)[NH2+]CC(=C)Br 229555602 344602824 /nfs/dbraw/zinc/60/28/24/344602824.db2.gz XNTCWMOPTKPMFP-ZETCQYMHSA-N 1 1 188.068 1.506 10 30 ADEEMO C#C[C@H](C)[NH2+]CC(=C)Cl 229555535 344602946 /nfs/dbraw/zinc/60/29/46/344602946.db2.gz HQOXADHAUVKNQA-ZETCQYMHSA-N 1 1 143.617 1.350 10 30 ADEEMO C#C[C@H](C)[N@@H+]1[C@@H](C)CCC[C@@H]1CN 229560746 344603639 /nfs/dbraw/zinc/60/36/39/344603639.db2.gz XFMUCQUIKSDTDW-GARJFASQSA-N 1 1 180.295 1.210 10 30 ADEEMO C#C[C@H](C)[N@H+]1[C@@H](C)CCC[C@@H]1CN 229560746 344603641 /nfs/dbraw/zinc/60/36/41/344603641.db2.gz XFMUCQUIKSDTDW-GARJFASQSA-N 1 1 180.295 1.210 10 30 ADEEMO C#C[C@@H](CC)[N@@H+]1C[C@H](C)N[C@H](C)C1 229560621 344603734 /nfs/dbraw/zinc/60/37/34/344603734.db2.gz MTDOVVQYYPNGKE-AXFHLTTASA-N 1 1 180.295 1.080 10 30 ADEEMO C#C[C@@H](CC)[N@H+]1C[C@H](C)N[C@H](C)C1 229560621 344603737 /nfs/dbraw/zinc/60/37/37/344603737.db2.gz MTDOVVQYYPNGKE-AXFHLTTASA-N 1 1 180.295 1.080 10 30 ADEEMO C#C[C@H](CC)[N@@H+]1CCNCC1(C)C 229561451 344603770 /nfs/dbraw/zinc/60/37/70/344603770.db2.gz KNYTUJIKPBFNPW-SNVBAGLBSA-N 1 1 180.295 1.082 10 30 ADEEMO C#C[C@H](CC)[N@H+]1CCNCC1(C)C 229561451 344603772 /nfs/dbraw/zinc/60/37/72/344603772.db2.gz KNYTUJIKPBFNPW-SNVBAGLBSA-N 1 1 180.295 1.082 10 30 ADEEMO C#C[C@H](CC)[NH+]1C[C@H](C)N[C@@H](C)C1 229560627 344603859 /nfs/dbraw/zinc/60/38/59/344603859.db2.gz MTDOVVQYYPNGKE-GARJFASQSA-N 1 1 180.295 1.080 10 30 ADEEMO C#C[C@H](CC)[N@@H+]1C[C@@H](C)NC[C@@H]1C 229561337 344603870 /nfs/dbraw/zinc/60/38/70/344603870.db2.gz QGGRMCIOGUKYQG-OUAUKWLOSA-N 1 1 180.295 1.080 10 30 ADEEMO C#C[C@H](CC)[N@H+]1C[C@@H](C)NC[C@@H]1C 229561337 344603872 /nfs/dbraw/zinc/60/38/72/344603872.db2.gz QGGRMCIOGUKYQG-OUAUKWLOSA-N 1 1 180.295 1.080 10 30 ADEEMO C#C[C@H](CC)[N@@H+]1C[C@H](C)N[C@H](C)C1 229560614 344603889 /nfs/dbraw/zinc/60/38/89/344603889.db2.gz MTDOVVQYYPNGKE-OUAUKWLOSA-N 1 1 180.295 1.080 10 30 ADEEMO C#C[C@H](CC)[N@H+]1C[C@H](C)N[C@H](C)C1 229560614 344603891 /nfs/dbraw/zinc/60/38/91/344603891.db2.gz MTDOVVQYYPNGKE-OUAUKWLOSA-N 1 1 180.295 1.080 10 30 ADEEMO C#C[C@@H](CC)[N@@H+]1CCNCC1(C)C 229561459 344603911 /nfs/dbraw/zinc/60/39/11/344603911.db2.gz KNYTUJIKPBFNPW-JTQLQIEISA-N 1 1 180.295 1.082 10 30 ADEEMO C#C[C@@H](CC)[N@H+]1CCNCC1(C)C 229561459 344603913 /nfs/dbraw/zinc/60/39/13/344603913.db2.gz KNYTUJIKPBFNPW-JTQLQIEISA-N 1 1 180.295 1.082 10 30 ADEEMO C#C[C@H](C)[N@H+]1CCC[C@@H](C)[C@@H]1CN 229560886 344603935 /nfs/dbraw/zinc/60/39/35/344603935.db2.gz SVURVZZYGFFDOU-VWYCJHECSA-N 1 1 180.295 1.067 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)[C@@H]1CCC[C@@H]1C[NH3+] 229561903 344604333 /nfs/dbraw/zinc/60/43/33/344604333.db2.gz JLCPJPJNVYFSSL-HBNTYKKESA-N 1 1 180.295 1.067 10 30 ADEEMO C#C[C@H](CC)N1CC[C@@H]([NH3+])[C@@H](C)C1 229563168 344604368 /nfs/dbraw/zinc/60/43/68/344604368.db2.gz JLGLRMBOAGXFKU-HBNTYKKESA-N 1 1 180.295 1.067 10 30 ADEEMO C#C[C@H](C)N1CC[C@H]([NH3+])[C@@H](CC)C1 229563418 344604441 /nfs/dbraw/zinc/60/44/41/344604441.db2.gz OEZYSXFKDAEUOC-DCAQKATOSA-N 1 1 180.295 1.067 10 30 ADEEMO C#C[C@H](C)N1CC[C@H]([NH3+])[C@H](CC)C1 229563410 344604506 /nfs/dbraw/zinc/60/45/06/344604506.db2.gz OEZYSXFKDAEUOC-AXFHLTTASA-N 1 1 180.295 1.067 10 30 ADEEMO C[C@H](C#N)CN[C@H]1CC[N@@H+](C)C[C@@H]1C 229600225 344606903 /nfs/dbraw/zinc/60/69/03/344606903.db2.gz JBUXCEMMXWTDIL-VWYCJHECSA-N 1 1 195.310 1.076 10 30 ADEEMO C[C@H](C#N)CN[C@@H]1CC[N@@H+](C)C[C@@H]1C 229600205 344607274 /nfs/dbraw/zinc/60/72/74/344607274.db2.gz JBUXCEMMXWTDIL-OUAUKWLOSA-N 1 1 195.310 1.076 10 30 ADEEMO CC[C@H]1CCC[C@@]1([NH3+])C#N 229646849 344608594 /nfs/dbraw/zinc/60/85/94/344608594.db2.gz GWVFETKTFWUXFZ-JGVFFNPUSA-N 1 1 138.214 1.418 10 30 ADEEMO CC[C@@H]1CCC[C@]1([NH3+])C#N 229646858 344608720 /nfs/dbraw/zinc/60/87/20/344608720.db2.gz GWVFETKTFWUXFZ-SFYZADRCSA-N 1 1 138.214 1.418 10 30 ADEEMO CC[C@@H]1CCC[C@@]1([NH3+])C#N 229646843 344608762 /nfs/dbraw/zinc/60/87/62/344608762.db2.gz GWVFETKTFWUXFZ-HTQZYQBOSA-N 1 1 138.214 1.418 10 30 ADEEMO CC[C@H]1CCC[C@]1([NH3+])C#N 229646865 344608793 /nfs/dbraw/zinc/60/87/93/344608793.db2.gz GWVFETKTFWUXFZ-YUMQZZPRSA-N 1 1 138.214 1.418 10 30 ADEEMO C[C@@](C#N)([C@@H]1CCOC1)[NH+]1CCCC1 229663221 344609621 /nfs/dbraw/zinc/60/96/21/344609621.db2.gz ZAVHTKCRUDURFS-GHMZBOCLSA-N 1 1 194.278 1.401 10 30 ADEEMO C[C@](C#N)([C@@H]1CCOC1)[NH+]1CCCC1 229663232 344609645 /nfs/dbraw/zinc/60/96/45/344609645.db2.gz ZAVHTKCRUDURFS-MNOVXSKESA-N 1 1 194.278 1.401 10 30 ADEEMO C[C@](C#N)([C@H]1CCOC1)[NH+]1CCCC1 229663246 344609699 /nfs/dbraw/zinc/60/96/99/344609699.db2.gz ZAVHTKCRUDURFS-QWRGUYRKSA-N 1 1 194.278 1.401 10 30 ADEEMO C[C@@](C#N)([C@H]1CCOC1)[NH+]1CCCC1 229663241 344609845 /nfs/dbraw/zinc/60/98/45/344609845.db2.gz ZAVHTKCRUDURFS-WDEREUQCSA-N 1 1 194.278 1.401 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCC(=O)[C@H](CC)C1 229749684 344613970 /nfs/dbraw/zinc/61/39/70/344613970.db2.gz WFBMSHCUHCSLLW-VHSXEESVSA-N 1 1 181.279 1.862 10 30 ADEEMO C=C[C@H](C)[N@@H+]1CCC(=O)[C@H](CC)C1 229749684 344613973 /nfs/dbraw/zinc/61/39/73/344613973.db2.gz WFBMSHCUHCSLLW-VHSXEESVSA-N 1 1 181.279 1.862 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCC(=O)[C@@H](CC)C1 229749693 344614119 /nfs/dbraw/zinc/61/41/19/344614119.db2.gz WFBMSHCUHCSLLW-UWVGGRQHSA-N 1 1 181.279 1.862 10 30 ADEEMO C=C[C@H](C)[N@@H+]1CCC(=O)[C@@H](CC)C1 229749693 344614121 /nfs/dbraw/zinc/61/41/21/344614121.db2.gz WFBMSHCUHCSLLW-UWVGGRQHSA-N 1 1 181.279 1.862 10 30 ADEEMO C=CC[N@H+]1CCC(=O)[C@@H](CC)C1 229756398 344614497 /nfs/dbraw/zinc/61/44/97/344614497.db2.gz VJVVHBVCHFFOOM-VIFPVBQESA-N 1 1 167.252 1.473 10 30 ADEEMO C=CC[N@@H+]1CCC(=O)[C@H](CC)C1 229756391 344614515 /nfs/dbraw/zinc/61/45/15/344614515.db2.gz VJVVHBVCHFFOOM-SECBINFHSA-N 1 1 167.252 1.473 10 30 ADEEMO C=CC[N@H+]1CCC(=O)[C@H](CC)C1 229756391 344614517 /nfs/dbraw/zinc/61/45/17/344614517.db2.gz VJVVHBVCHFFOOM-SECBINFHSA-N 1 1 167.252 1.473 10 30 ADEEMO C=C(C)C[N@H+]1CC[C@H](O)[C@@H](CC)C1 229833148 344617712 /nfs/dbraw/zinc/61/77/12/344617712.db2.gz SHVHKXUQMOJVRR-QWRGUYRKSA-N 1 1 183.295 1.655 10 30 ADEEMO C=C(C)C[N@H+]1CC[C@H](O)[C@H](CC)C1 229833141 344617731 /nfs/dbraw/zinc/61/77/31/344617731.db2.gz SHVHKXUQMOJVRR-MNOVXSKESA-N 1 1 183.295 1.655 10 30 ADEEMO C#CCCC[N@H+]1CCCN[C@@H](C)C1 229842452 344618286 /nfs/dbraw/zinc/61/82/86/344618286.db2.gz ZGFZOHQDRSXODD-NSHDSACASA-N 1 1 180.295 1.084 10 30 ADEEMO C#CCCCN1CCC[NH2+][C@@H](C)C1 229842452 344618288 /nfs/dbraw/zinc/61/82/88/344618288.db2.gz ZGFZOHQDRSXODD-NSHDSACASA-N 1 1 180.295 1.084 10 30 ADEEMO C#CCCC[N@H+]1CCCN[C@H](C)C1 229842458 344618378 /nfs/dbraw/zinc/61/83/78/344618378.db2.gz ZGFZOHQDRSXODD-LLVKDONJSA-N 1 1 180.295 1.084 10 30 ADEEMO C#CCCCN1CCC[NH2+][C@H](C)C1 229842458 344618380 /nfs/dbraw/zinc/61/83/80/344618380.db2.gz ZGFZOHQDRSXODD-LLVKDONJSA-N 1 1 180.295 1.084 10 30 ADEEMO C#C[C@@H](CC)[N@@H+]1CCC(=O)C[C@@H]1C 229862243 344618677 /nfs/dbraw/zinc/61/86/77/344618677.db2.gz ACJIAKYOIOMLEJ-UWVGGRQHSA-N 1 1 179.263 1.452 10 30 ADEEMO C#C[C@@H](CC)[N@H+]1CCC(=O)C[C@@H]1C 229862243 344618680 /nfs/dbraw/zinc/61/86/80/344618680.db2.gz ACJIAKYOIOMLEJ-UWVGGRQHSA-N 1 1 179.263 1.452 10 30 ADEEMO C#C[C@H](CC)[N@@H+]1CCNC(C)(C)C1 229879146 344618758 /nfs/dbraw/zinc/61/87/58/344618758.db2.gz SVPWMXPWBDTOQC-SNVBAGLBSA-N 1 1 180.295 1.082 10 30 ADEEMO C#C[C@H](CC)[N@H+]1CCNC(C)(C)C1 229879146 344618759 /nfs/dbraw/zinc/61/87/59/344618759.db2.gz SVPWMXPWBDTOQC-SNVBAGLBSA-N 1 1 180.295 1.082 10 30 ADEEMO C#C[C@@H](CC)N1CC[N@H+]2CCC[C@@H]2C1 229877723 344618765 /nfs/dbraw/zinc/61/87/65/344618765.db2.gz CFVBLGRRGYXWIO-NWDGAFQWSA-N 1 1 192.306 1.178 10 30 ADEEMO C#C[C@H](CCC)[N@@H+]1CCC(=O)[C@@H](C)C1 229861535 344618777 /nfs/dbraw/zinc/61/87/77/344618777.db2.gz DUYNLRJTFHCJJX-WDEREUQCSA-N 1 1 193.290 1.699 10 30 ADEEMO C#C[C@H](CCC)[N@H+]1CCC(=O)[C@@H](C)C1 229861535 344618779 /nfs/dbraw/zinc/61/87/79/344618779.db2.gz DUYNLRJTFHCJJX-WDEREUQCSA-N 1 1 193.290 1.699 10 30 ADEEMO C#C[C@@H](CC)[N@@H+]1CCNC(C)(C)C1 229879138 344618786 /nfs/dbraw/zinc/61/87/86/344618786.db2.gz SVPWMXPWBDTOQC-JTQLQIEISA-N 1 1 180.295 1.082 10 30 ADEEMO C#C[C@@H](CC)[N@H+]1CCNC(C)(C)C1 229879138 344618788 /nfs/dbraw/zinc/61/87/88/344618788.db2.gz SVPWMXPWBDTOQC-JTQLQIEISA-N 1 1 180.295 1.082 10 30 ADEEMO C#C[C@H](CC)[N@@H+]1CCC(=O)C[C@@H]1C 229862250 344618834 /nfs/dbraw/zinc/61/88/34/344618834.db2.gz ACJIAKYOIOMLEJ-VHSXEESVSA-N 1 1 179.263 1.452 10 30 ADEEMO C#C[C@H](CC)[N@H+]1CCC(=O)C[C@@H]1C 229862250 344618835 /nfs/dbraw/zinc/61/88/35/344618835.db2.gz ACJIAKYOIOMLEJ-VHSXEESVSA-N 1 1 179.263 1.452 10 30 ADEEMO C#C[C@H](CC)[NH2+][C@H]1CCCN(C)CC1 229894872 344619047 /nfs/dbraw/zinc/61/90/47/344619047.db2.gz UCKYWZKSMGJZDY-NEPJUHHUSA-N 1 1 194.322 1.472 10 30 ADEEMO C#C[C@H](CC)N[C@H]1CCC[N@H+](C)CC1 229894872 344619050 /nfs/dbraw/zinc/61/90/50/344619050.db2.gz UCKYWZKSMGJZDY-NEPJUHHUSA-N 1 1 194.322 1.472 10 30 ADEEMO C#C[C@H](CC)N[C@H]1CCC[N@@H+](C)CC1 229894872 344619052 /nfs/dbraw/zinc/61/90/52/344619052.db2.gz UCKYWZKSMGJZDY-NEPJUHHUSA-N 1 1 194.322 1.472 10 30 ADEEMO C#C[C@H](CC)[NH2+][C@@H]1CCCN(C)CC1 229894861 344619066 /nfs/dbraw/zinc/61/90/66/344619066.db2.gz UCKYWZKSMGJZDY-VXGBXAGGSA-N 1 1 194.322 1.472 10 30 ADEEMO C#C[C@H](CC)N[C@@H]1CCC[N@H+](C)CC1 229894861 344619069 /nfs/dbraw/zinc/61/90/69/344619069.db2.gz UCKYWZKSMGJZDY-VXGBXAGGSA-N 1 1 194.322 1.472 10 30 ADEEMO C#C[C@H](CC)N[C@@H]1CCC[N@@H+](C)CC1 229894861 344619071 /nfs/dbraw/zinc/61/90/71/344619071.db2.gz UCKYWZKSMGJZDY-VXGBXAGGSA-N 1 1 194.322 1.472 10 30 ADEEMO C#C[C@@H](CC)[NH2+][C@H]1CCCN(C)CC1 229894866 344619119 /nfs/dbraw/zinc/61/91/19/344619119.db2.gz UCKYWZKSMGJZDY-RYUDHWBXSA-N 1 1 194.322 1.472 10 30 ADEEMO C#C[C@@H](CC)N[C@H]1CCC[N@H+](C)CC1 229894866 344619121 /nfs/dbraw/zinc/61/91/21/344619121.db2.gz UCKYWZKSMGJZDY-RYUDHWBXSA-N 1 1 194.322 1.472 10 30 ADEEMO C#C[C@@H](CC)N[C@H]1CCC[N@@H+](C)CC1 229894866 344619122 /nfs/dbraw/zinc/61/91/22/344619122.db2.gz UCKYWZKSMGJZDY-RYUDHWBXSA-N 1 1 194.322 1.472 10 30 ADEEMO C#CCC[C@@]1(O)C[C@H](C)[N@H+](C2CC2)C1 229945841 344620963 /nfs/dbraw/zinc/62/09/63/344620963.db2.gz GZJSARGVWYKQTO-CMPLNLGQSA-N 1 1 193.290 1.388 10 30 ADEEMO C#CCC[C@]1(O)C[C@H](C)[N@H+](C2CC2)C1 229945830 344621166 /nfs/dbraw/zinc/62/11/66/344621166.db2.gz GZJSARGVWYKQTO-JQWIXIFHSA-N 1 1 193.290 1.388 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCC(=O)[C@@H](CC)C1 229944151 344621196 /nfs/dbraw/zinc/62/11/96/344621196.db2.gz WFBMSHCUHCSLLW-ZJUUUORDSA-N 1 1 181.279 1.862 10 30 ADEEMO C=C[C@@H](C)[N@@H+]1CCC(=O)[C@@H](CC)C1 229944151 344621199 /nfs/dbraw/zinc/62/11/99/344621199.db2.gz WFBMSHCUHCSLLW-ZJUUUORDSA-N 1 1 181.279 1.862 10 30 ADEEMO C#CCC[C@]1(O)C[C@@H](C)[N@H+](C2CC2)C1 229945825 344621213 /nfs/dbraw/zinc/62/12/13/344621213.db2.gz GZJSARGVWYKQTO-PWSUYJOCSA-N 1 1 193.290 1.388 10 30 ADEEMO CC(=O)/C=C1/C[C@@H](C)[N@H+](C2CC2)C1 229954392 344621574 /nfs/dbraw/zinc/62/15/74/344621574.db2.gz IMKQHLXXKWOOAL-NDVARNPJSA-N 1 1 179.263 1.758 10 30 ADEEMO C=C(C)C[N@H+]1CC[C@@H](O)[C@@H](CC)C1 229958772 344621703 /nfs/dbraw/zinc/62/17/03/344621703.db2.gz SHVHKXUQMOJVRR-WDEREUQCSA-N 1 1 183.295 1.655 10 30 ADEEMO CC(=O)/C=C1/C[C@H](C)[N@H+](C2CC2)C1 229954397 344621716 /nfs/dbraw/zinc/62/17/16/344621716.db2.gz IMKQHLXXKWOOAL-KZSPTFSBSA-N 1 1 179.263 1.758 10 30 ADEEMO C#C[C@H](CC)Nc1ccc(N)c[nH+]1 230024388 344624368 /nfs/dbraw/zinc/62/43/68/344624368.db2.gz MRTDMJGZGJHWCJ-SECBINFHSA-N 1 1 175.235 1.488 10 30 ADEEMO C#C[C@H](CC)Nc1[nH+]cccc1N 230024436 344624422 /nfs/dbraw/zinc/62/44/22/344624422.db2.gz FVRUHLAGIWEWHT-MRVPVSSYSA-N 1 1 175.235 1.488 10 30 ADEEMO Cc1cnc([C@H](C)[NH2+]CCCC#N)o1 230059490 344624946 /nfs/dbraw/zinc/62/49/46/344624946.db2.gz NKDCJYVGTNVKFD-VIFPVBQESA-N 1 1 193.250 1.937 10 30 ADEEMO Cc1cnc([C@@H](C)[NH2+]CCCC#N)o1 230059484 344624973 /nfs/dbraw/zinc/62/49/73/344624973.db2.gz NKDCJYVGTNVKFD-SECBINFHSA-N 1 1 193.250 1.937 10 30 ADEEMO CCC1(CC)C[NH2+]C[C@@H](C#N)OC1 230230757 344629409 /nfs/dbraw/zinc/62/94/09/344629409.db2.gz WLAZWFJPKLRMOM-SECBINFHSA-N 1 1 182.267 1.305 10 30 ADEEMO CCC1(CC)C[NH2+]C[C@H](C#N)OC1 230230761 344629570 /nfs/dbraw/zinc/62/95/70/344629570.db2.gz WLAZWFJPKLRMOM-VIFPVBQESA-N 1 1 182.267 1.305 10 30 ADEEMO CO[C@@]1(C)CCC[N@@H+](C[C@@H](C)C#N)C1 230264990 344629831 /nfs/dbraw/zinc/62/98/31/344629831.db2.gz DUXDXATYUGWQKH-QWRGUYRKSA-N 1 1 196.294 1.647 10 30 ADEEMO CO[C@]1(C)CCC[N@@H+](C[C@@H](C)C#N)C1 230264993 344629917 /nfs/dbraw/zinc/62/99/17/344629917.db2.gz DUXDXATYUGWQKH-WDEREUQCSA-N 1 1 196.294 1.647 10 30 ADEEMO C#CC[N@@H+]1CCC[C@@](C)(OC)C1 230282050 344630257 /nfs/dbraw/zinc/63/02/57/344630257.db2.gz DYEWYLQOGAQATN-SNVBAGLBSA-N 1 1 167.252 1.121 10 30 ADEEMO C[C@H](C#N)C[N@H+]1CCC[C@@](C)(O)CC1 230352437 344631376 /nfs/dbraw/zinc/63/13/76/344631376.db2.gz PFTACWFXTZNSES-GHMZBOCLSA-N 1 1 196.294 1.383 10 30 ADEEMO CO[C@H]1CCC[N@@H+](CCS)C1 230361149 344631849 /nfs/dbraw/zinc/63/18/49/344631849.db2.gz GHEQBHIBYKKUFU-QMMMGPOBSA-N 1 1 175.297 1.027 10 30 ADEEMO CO[C@H]1C[N@@H+](CCS)CC[C@@H]1C 230361005 344632155 /nfs/dbraw/zinc/63/21/55/344632155.db2.gz GUOGIMGVXZBABF-IUCAKERBSA-N 1 1 189.324 1.273 10 30 ADEEMO CO[C@@H]1CCC[N@@H+](CCS)C1 230361147 344632216 /nfs/dbraw/zinc/63/22/16/344632216.db2.gz GHEQBHIBYKKUFU-MRVPVSSYSA-N 1 1 175.297 1.027 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCC[C@@](C)(O)CC1 230378335 344632721 /nfs/dbraw/zinc/63/27/21/344632721.db2.gz KYQFAADYBNSCHG-GHMZBOCLSA-N 1 1 183.295 1.798 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCC[C@@](C)(O)CC1 230378337 344632939 /nfs/dbraw/zinc/63/29/39/344632939.db2.gz KYQFAADYBNSCHG-WDEREUQCSA-N 1 1 183.295 1.798 10 30 ADEEMO C[C@@]1(O)CCC[N@@H+](CCS)CC1 230384429 344633476 /nfs/dbraw/zinc/63/34/76/344633476.db2.gz XFIXJZGMMBHIMX-SECBINFHSA-N 1 1 189.324 1.153 10 30 ADEEMO C[C@]1(O)CCC[N@@H+](CCS)CC1 230384430 344633560 /nfs/dbraw/zinc/63/35/60/344633560.db2.gz XFIXJZGMMBHIMX-VIFPVBQESA-N 1 1 189.324 1.153 10 30 ADEEMO COC(C)(C)CC[N@H+](C)CCC#N 230415992 344635534 /nfs/dbraw/zinc/63/55/34/344635534.db2.gz UWJOYJIITUEIJD-UHFFFAOYSA-N 1 1 184.283 1.647 10 30 ADEEMO COC(C)(C)CC[N@@H+](C)CCC#N 230415992 344635537 /nfs/dbraw/zinc/63/55/37/344635537.db2.gz UWJOYJIITUEIJD-UHFFFAOYSA-N 1 1 184.283 1.647 10 30 ADEEMO COC(C)(C)CC[N@@H+](C)C[C@H](C)C#N 230414375 344635638 /nfs/dbraw/zinc/63/56/38/344635638.db2.gz WRRRPHDFIHDDFP-SNVBAGLBSA-N 1 1 198.310 1.893 10 30 ADEEMO COC(C)(C)CC[N@@H+](C)C[C@@H](C)C#N 230414373 344635676 /nfs/dbraw/zinc/63/56/76/344635676.db2.gz WRRRPHDFIHDDFP-JTQLQIEISA-N 1 1 198.310 1.893 10 30 ADEEMO C[C@H](CC#N)[N@@H+](C)[C@@H]1CCCC[C@H]1O 230946055 344646298 /nfs/dbraw/zinc/64/62/98/344646298.db2.gz OTSSVRKEPARWQZ-GMTAPVOTSA-N 1 1 196.294 1.524 10 30 ADEEMO C=C(C)C(=O)[C@@H]1CCC[N@@H+]1C 231508362 344654084 /nfs/dbraw/zinc/65/40/84/344654084.db2.gz OOEHCSYHONPBIN-QMMMGPOBSA-N 1 1 153.225 1.226 10 30 ADEEMO C=C(C)C(=O)[C@H]1CCC[N@@H+]1C 231508376 344654268 /nfs/dbraw/zinc/65/42/68/344654268.db2.gz OOEHCSYHONPBIN-MRVPVSSYSA-N 1 1 153.225 1.226 10 30 ADEEMO C#CCOC1C[C@@H]2CC[C@H](C1)[N@H+]2C 231565135 344654710 /nfs/dbraw/zinc/65/47/10/344654710.db2.gz IKGXJKOJBCEAAM-ZACCUICWSA-N 1 1 179.263 1.261 10 30 ADEEMO C=C(C[NH3+])C[N@@H+]1CC[C@H](C)[C@@H](C)C1 231622497 344654832 /nfs/dbraw/zinc/65/48/32/344654832.db2.gz GNRCUQUSZJKRSX-QWRGUYRKSA-N 1 1 182.311 1.479 10 30 ADEEMO C=C(CN)C[N@H+]1CC[C@H](C)[C@@H](C)C1 231622497 344654834 /nfs/dbraw/zinc/65/48/34/344654834.db2.gz GNRCUQUSZJKRSX-QWRGUYRKSA-N 1 1 182.311 1.479 10 30 ADEEMO C=C(CN)C[N@@H+]1CC[C@H](C)[C@@H](C)C1 231622497 344654835 /nfs/dbraw/zinc/65/48/35/344654835.db2.gz GNRCUQUSZJKRSX-QWRGUYRKSA-N 1 1 182.311 1.479 10 30 ADEEMO C=C(CN)C[NH+]1C[C@@H](C)[C@H](C)C1 231619722 344654865 /nfs/dbraw/zinc/65/48/65/344654865.db2.gz WTCCNQOUPOYLAM-NXEZZACHSA-N 1 1 168.284 1.089 10 30 ADEEMO C=C(C[NH3+])C[N@@H+]1CCC[C@H](C)[C@@H]1C 231613616 344655135 /nfs/dbraw/zinc/65/51/35/344655135.db2.gz MDDATKHSLZQUKC-QWRGUYRKSA-N 1 1 182.311 1.622 10 30 ADEEMO C=C(C[NH3+])C[N@@H+]1CC[C@@H](C)[C@@H](C)C1 231622493 344655011 /nfs/dbraw/zinc/65/50/11/344655011.db2.gz GNRCUQUSZJKRSX-MNOVXSKESA-N 1 1 182.311 1.479 10 30 ADEEMO C=C(CN)C[N@H+]1CC[C@@H](C)[C@@H](C)C1 231622493 344655013 /nfs/dbraw/zinc/65/50/13/344655013.db2.gz GNRCUQUSZJKRSX-MNOVXSKESA-N 1 1 182.311 1.479 10 30 ADEEMO C=C(CN)C[N@@H+]1CC[C@@H](C)[C@@H](C)C1 231622493 344655016 /nfs/dbraw/zinc/65/50/16/344655016.db2.gz GNRCUQUSZJKRSX-MNOVXSKESA-N 1 1 182.311 1.479 10 30 ADEEMO C=C(CN)C[NH+]1C[C@H](C)[C@@H](C)C1 231619720 344655028 /nfs/dbraw/zinc/65/50/28/344655028.db2.gz WTCCNQOUPOYLAM-UWVGGRQHSA-N 1 1 168.284 1.089 10 30 ADEEMO C=C(C[NH3+])C[N@@H+]1CCC[C@@H](C)[C@@H]1C 231613610 344655041 /nfs/dbraw/zinc/65/50/41/344655041.db2.gz MDDATKHSLZQUKC-MNOVXSKESA-N 1 1 182.311 1.622 10 30 ADEEMO C=C(CN)C[N@H+]1CCC[C@@H](C)[C@@H]1C 231613610 344655042 /nfs/dbraw/zinc/65/50/42/344655042.db2.gz MDDATKHSLZQUKC-MNOVXSKESA-N 1 1 182.311 1.622 10 30 ADEEMO C=C(CN)C[N@@H+]1CCC[C@@H](C)[C@@H]1C 231613610 344655043 /nfs/dbraw/zinc/65/50/43/344655043.db2.gz MDDATKHSLZQUKC-MNOVXSKESA-N 1 1 182.311 1.622 10 30 ADEEMO C=C(C[NH3+])C[N@@H+]1C[C@H]2CCC[C@H]2C1 231621125 344655112 /nfs/dbraw/zinc/65/51/12/344655112.db2.gz ARWCCAWHLBDOOB-PHIMTYICSA-N 1 1 180.295 1.233 10 30 ADEEMO C=C(CN)C[N@@H+]1CCC[C@H](C)[C@@H]1C 231613616 344655139 /nfs/dbraw/zinc/65/51/39/344655139.db2.gz MDDATKHSLZQUKC-QWRGUYRKSA-N 1 1 182.311 1.622 10 30 ADEEMO C=C(C[NH3+])C[N@H+]1C[C@@H](C)[C@@H](C)C1 231619716 344655171 /nfs/dbraw/zinc/65/51/71/344655171.db2.gz WTCCNQOUPOYLAM-AOOOYVTPSA-N 1 1 168.284 1.089 10 30 ADEEMO C=C(CN)C[N@@H+]1C[C@@H](C)[C@@H](C)C1 231619716 344655173 /nfs/dbraw/zinc/65/51/73/344655173.db2.gz WTCCNQOUPOYLAM-AOOOYVTPSA-N 1 1 168.284 1.089 10 30 ADEEMO C=C(CN)C[N@H+]1C[C@@H](C)[C@@H](C)C1 231619716 344655174 /nfs/dbraw/zinc/65/51/74/344655174.db2.gz WTCCNQOUPOYLAM-AOOOYVTPSA-N 1 1 168.284 1.089 10 30 ADEEMO C=C(CS)C[N@@H+]1CC[C@@H](C)C1 231632188 344655428 /nfs/dbraw/zinc/65/54/28/344655428.db2.gz JRPKBYZYLSGMIJ-MRVPVSSYSA-N 1 1 171.309 1.814 10 30 ADEEMO CC[N@H+](C[C@H](C)C#N)C[C@@H](C)CO 231636995 344655462 /nfs/dbraw/zinc/65/54/62/344655462.db2.gz JNCBGGYNWWFHHD-NXEZZACHSA-N 1 1 184.283 1.096 10 30 ADEEMO C=C(CS)C[N@@H+]1CCC[C@@H]1C 231631608 344655632 /nfs/dbraw/zinc/65/56/32/344655632.db2.gz IAXXCDBFRPQGRF-VIFPVBQESA-N 1 1 171.309 1.957 10 30 ADEEMO C=C(CS)Cn1c[nH+]c(C)c1C 231635094 344655668 /nfs/dbraw/zinc/65/56/68/344655668.db2.gz PYOCCICWMKLTLB-UHFFFAOYSA-N 1 1 182.292 1.986 10 30 ADEEMO C=C(CS)C[N@@H+]1CCO[C@H](C)C1 231631679 344655699 /nfs/dbraw/zinc/65/56/99/344655699.db2.gz RJDURYCLRNYBGX-SECBINFHSA-N 1 1 187.308 1.193 10 30 ADEEMO C=C(CS)C[N@H+]1CCO[C@H](C)C1 231631679 344655701 /nfs/dbraw/zinc/65/57/01/344655701.db2.gz RJDURYCLRNYBGX-SECBINFHSA-N 1 1 187.308 1.193 10 30 ADEEMO C=C(CS)C[N@@H+]1CCC[C@H]1C 231631611 344655814 /nfs/dbraw/zinc/65/58/14/344655814.db2.gz IAXXCDBFRPQGRF-SECBINFHSA-N 1 1 171.309 1.957 10 30 ADEEMO C=C(CS)C[N@@H+]1CCO[C@@H](C)C1 231631676 344655825 /nfs/dbraw/zinc/65/58/25/344655825.db2.gz RJDURYCLRNYBGX-VIFPVBQESA-N 1 1 187.308 1.193 10 30 ADEEMO C=C(CS)C[N@H+]1CCO[C@@H](C)C1 231631676 344655829 /nfs/dbraw/zinc/65/58/29/344655829.db2.gz RJDURYCLRNYBGX-VIFPVBQESA-N 1 1 187.308 1.193 10 30 ADEEMO CN(CC#N)CC[C@H]1CCCC[N@H+]1C 231699536 344657485 /nfs/dbraw/zinc/65/74/85/344657485.db2.gz CRSAYHFHLRVODT-LLVKDONJSA-N 1 1 195.310 1.316 10 30 ADEEMO CN(CC#N)CC[C@@H]1CCCC[N@H+]1C 231699532 344657559 /nfs/dbraw/zinc/65/75/59/344657559.db2.gz CRSAYHFHLRVODT-NSHDSACASA-N 1 1 195.310 1.316 10 30 ADEEMO C#CC[C@@H](C)[N@H+]1CCN[C@@H](C(C)C)C1 232004506 344669511 /nfs/dbraw/zinc/66/95/11/344669511.db2.gz KQLQLOWTNJKWEC-VXGBXAGGSA-N 1 1 194.322 1.328 10 30 ADEEMO C#CC[C@@H](C)[N@@H+]1CCN[C@@H](C(C)C)C1 232004506 344669514 /nfs/dbraw/zinc/66/95/14/344669514.db2.gz KQLQLOWTNJKWEC-VXGBXAGGSA-N 1 1 194.322 1.328 10 30 ADEEMO C#CC[C@@H](C)[N@@H+]1CCNC[C@@H]1CC 232004114 344669543 /nfs/dbraw/zinc/66/95/43/344669543.db2.gz IHJNZMPPAITFEM-MNOVXSKESA-N 1 1 180.295 1.082 10 30 ADEEMO C#CC[C@@H](C)N1CC[NH2+]C[C@@H]1CC 232004114 344669545 /nfs/dbraw/zinc/66/95/45/344669545.db2.gz IHJNZMPPAITFEM-MNOVXSKESA-N 1 1 180.295 1.082 10 30 ADEEMO C#CC[C@@H](C)[N@@H+]1CCNC[C@@H]1C(C)C 232004517 344669595 /nfs/dbraw/zinc/66/95/95/344669595.db2.gz AHSCTVAWWLUMGP-VXGBXAGGSA-N 1 1 194.322 1.328 10 30 ADEEMO C#CC[C@@H](C)N1CC[NH2+]C[C@@H]1C(C)C 232004517 344669596 /nfs/dbraw/zinc/66/95/96/344669596.db2.gz AHSCTVAWWLUMGP-VXGBXAGGSA-N 1 1 194.322 1.328 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCNC[C@@H]1C(C)C 232033478 344669985 /nfs/dbraw/zinc/66/99/85/344669985.db2.gz GKYAGFSHYVQCJM-GHMZBOCLSA-N 1 1 182.311 1.491 10 30 ADEEMO C=C[C@@H](C)[N@@H+]1CCNC[C@@H]1C(C)C 232033478 344669987 /nfs/dbraw/zinc/66/99/87/344669987.db2.gz GKYAGFSHYVQCJM-GHMZBOCLSA-N 1 1 182.311 1.491 10 30 ADEEMO C=C[C@@H](C)[N@@H+]1CCN[C@@](C)(CC)C1 232033461 344670047 /nfs/dbraw/zinc/67/00/47/344670047.db2.gz CMLGRJPJFBMWPI-MNOVXSKESA-N 1 1 182.311 1.635 10 30 ADEEMO C#C[C@H](C)N1CC[C@@H]([NH3+])[C@@H](CC)C1 232056513 344670682 /nfs/dbraw/zinc/67/06/82/344670682.db2.gz OEZYSXFKDAEUOC-GARJFASQSA-N 1 1 180.295 1.067 10 30 ADEEMO C=C(C)CNc1cc[nH+]c(N)n1 232464390 344678092 /nfs/dbraw/zinc/67/80/92/344678092.db2.gz FOISPMNBPCPCFX-UHFFFAOYSA-N 1 1 164.212 1.047 10 30 ADEEMO CC#CCCNc1[nH+]cccc1N 232473002 344679379 /nfs/dbraw/zinc/67/93/79/344679379.db2.gz AHUXIRPLFABAHF-UHFFFAOYSA-N 1 1 175.235 1.489 10 30 ADEEMO CC#CCCNc1ccc(N)c[nH+]1 232472187 344679425 /nfs/dbraw/zinc/67/94/25/344679425.db2.gz QAUCVBOPRRSAMH-UHFFFAOYSA-N 1 1 175.235 1.489 10 30 ADEEMO C#CC(C)(C)Nc1ccc(N)c[nH+]1 232536400 344681345 /nfs/dbraw/zinc/68/13/45/344681345.db2.gz WAMUMHPVJKFEPY-UHFFFAOYSA-N 1 1 175.235 1.488 10 30 ADEEMO C#CC(C)(C)Nc1[nH+]cccc1N 232539517 344681449 /nfs/dbraw/zinc/68/14/49/344681449.db2.gz WNIUGNSIZKQVKH-UHFFFAOYSA-N 1 1 175.235 1.488 10 30 ADEEMO C=C(C)[C@@H]([NH3+])C(F)F 232555968 344682419 /nfs/dbraw/zinc/68/24/19/344682419.db2.gz HBQKZKBTNHFBNP-SCSAIBSYSA-N 1 1 121.130 1.155 10 30 ADEEMO C=C(C)[C@H]([NH3+])C(F)F 232563283 344683036 /nfs/dbraw/zinc/68/30/36/344683036.db2.gz HBQKZKBTNHFBNP-BYPYZUCNSA-N 1 1 121.130 1.155 10 30 ADEEMO CC(C)COCC[N@H+](C)[C@@H](C)CC#N 232639564 344686578 /nfs/dbraw/zinc/68/65/78/344686578.db2.gz FEEGWACEURJXIU-NSHDSACASA-N 1 1 198.310 1.893 10 30 ADEEMO CC(C)COCC[N@@H+](C)[C@@H](C)CC#N 232639564 344686581 /nfs/dbraw/zinc/68/65/81/344686581.db2.gz FEEGWACEURJXIU-NSHDSACASA-N 1 1 198.310 1.893 10 30 ADEEMO CC(C)COCC[N@H+](C)[C@H](C)CC#N 232640766 344686725 /nfs/dbraw/zinc/68/67/25/344686725.db2.gz FEEGWACEURJXIU-LLVKDONJSA-N 1 1 198.310 1.893 10 30 ADEEMO CC(C)COCC[N@@H+](C)[C@H](C)CC#N 232640766 344686727 /nfs/dbraw/zinc/68/67/27/344686727.db2.gz FEEGWACEURJXIU-LLVKDONJSA-N 1 1 198.310 1.893 10 30 ADEEMO C#CCN(CC)c1[nH+]cc(C)cc1N 233459782 344702259 /nfs/dbraw/zinc/70/22/59/344702259.db2.gz ZULCREGFRKNVIS-UHFFFAOYSA-N 1 1 189.262 1.432 10 30 ADEEMO CC[C@@H](C#N)N1CCC[N@@H+](C)C[C@@H]1C 233839406 344704847 /nfs/dbraw/zinc/70/48/47/344704847.db2.gz ASEZTWCDEQUKFT-QWRGUYRKSA-N 1 1 195.310 1.315 10 30 ADEEMO C#CC[C@H](CC)Nc1cc[nH+]c(N)n1 233864027 344705450 /nfs/dbraw/zinc/70/54/50/344705450.db2.gz DOJXAIDYRXYFON-QMMMGPOBSA-N 1 1 190.250 1.273 10 30 ADEEMO CC[C@H](C#N)N1CCC[N@@H+](C)C[C@@H]1C 233975646 344708994 /nfs/dbraw/zinc/70/89/94/344708994.db2.gz ASEZTWCDEQUKFT-WDEREUQCSA-N 1 1 195.310 1.315 10 30 ADEEMO C#CC[C@@H](CC)Nc1cc[nH+]c(N)n1 234026355 344710146 /nfs/dbraw/zinc/71/01/46/344710146.db2.gz DOJXAIDYRXYFON-MRVPVSSYSA-N 1 1 190.250 1.273 10 30 ADEEMO C#CCN1CCC[N@H+](C)C[C@@H]1CC 234063438 344711459 /nfs/dbraw/zinc/71/14/59/344711459.db2.gz QZFHLRRXKLEFIY-NSHDSACASA-N 1 1 180.295 1.036 10 30 ADEEMO C#CC[N@H+]1CCCN(C)C[C@@H]1CC 234063438 344711460 /nfs/dbraw/zinc/71/14/60/344711460.db2.gz QZFHLRRXKLEFIY-NSHDSACASA-N 1 1 180.295 1.036 10 30 ADEEMO C#CCN(C)c1[nH+]cc(N)cc1C 234255265 344716032 /nfs/dbraw/zinc/71/60/32/344716032.db2.gz KSNUZPRLWBCYOO-UHFFFAOYSA-N 1 1 175.235 1.042 10 30 ADEEMO C=C(C)C(=O)[C@H]1CSCC[N@H+]1C 234306323 344716697 /nfs/dbraw/zinc/71/66/97/344716697.db2.gz DERVIEAVNGTCND-MRVPVSSYSA-N 1 1 185.292 1.179 10 30 ADEEMO C=C(C)C(=O)[C@H]1CSCC[N@@H+]1C 234306323 344716699 /nfs/dbraw/zinc/71/66/99/344716699.db2.gz DERVIEAVNGTCND-MRVPVSSYSA-N 1 1 185.292 1.179 10 30 ADEEMO C=CCC(=O)[C@H]1CSCC[N@H+]1C 234306727 344716861 /nfs/dbraw/zinc/71/68/61/344716861.db2.gz BWQIWMAKYIZMTA-MRVPVSSYSA-N 1 1 185.292 1.179 10 30 ADEEMO C=CCC(=O)[C@H]1CSCC[N@@H+]1C 234306727 344716862 /nfs/dbraw/zinc/71/68/62/344716862.db2.gz BWQIWMAKYIZMTA-MRVPVSSYSA-N 1 1 185.292 1.179 10 30 ADEEMO C=CCC(=O)[C@@H]1CSCC[N@H+]1C 234343912 344718008 /nfs/dbraw/zinc/71/80/08/344718008.db2.gz BWQIWMAKYIZMTA-QMMMGPOBSA-N 1 1 185.292 1.179 10 30 ADEEMO C=CCC(=O)[C@@H]1CSCC[N@@H+]1C 234343912 344718009 /nfs/dbraw/zinc/71/80/09/344718009.db2.gz BWQIWMAKYIZMTA-QMMMGPOBSA-N 1 1 185.292 1.179 10 30 ADEEMO C=C(C)C(=O)[C@@H]1CSCC[N@H+]1C 234343666 344718029 /nfs/dbraw/zinc/71/80/29/344718029.db2.gz DERVIEAVNGTCND-QMMMGPOBSA-N 1 1 185.292 1.179 10 30 ADEEMO C=C(C)C(=O)[C@@H]1CSCC[N@@H+]1C 234343666 344718030 /nfs/dbraw/zinc/71/80/30/344718030.db2.gz DERVIEAVNGTCND-QMMMGPOBSA-N 1 1 185.292 1.179 10 30 ADEEMO C#C[C@H]([NH2+]C)c1ccoc1Cl 234393394 344719783 /nfs/dbraw/zinc/71/97/83/344719783.db2.gz QMMJBTGZGIHCDC-ZETCQYMHSA-N 1 1 169.611 1.827 10 30 ADEEMO C#C[C@H]([NH2+]C)c1ccc(Cl)o1 234392917 344719840 /nfs/dbraw/zinc/71/98/40/344719840.db2.gz QKUWJNBRNIJAGJ-LURJTMIESA-N 1 1 169.611 1.827 10 30 ADEEMO C#C[C@@H]([NH2+]C)c1ccc(Cl)o1 234448966 344720790 /nfs/dbraw/zinc/72/07/90/344720790.db2.gz QKUWJNBRNIJAGJ-ZCFIWIBFSA-N 1 1 169.611 1.827 10 30 ADEEMO CC#CC[C@@H]([NH2+]C)C(F)F 234438047 344720979 /nfs/dbraw/zinc/72/09/79/344720979.db2.gz LIGODIXXNSHRBK-ZCFIWIBFSA-N 1 1 147.168 1.253 10 30 ADEEMO C#C[C@@H]([NH2+]C)c1ccoc1Cl 234449374 344721000 /nfs/dbraw/zinc/72/10/00/344721000.db2.gz QMMJBTGZGIHCDC-SSDOTTSWSA-N 1 1 169.611 1.827 10 30 ADEEMO CC#CC[C@H]([NH2+]C)C(F)F 234436238 344721067 /nfs/dbraw/zinc/72/10/67/344721067.db2.gz LIGODIXXNSHRBK-LURJTMIESA-N 1 1 147.168 1.253 10 30 ADEEMO C#CC[C@H](C)Nc1[nH+]cccc1N 235086213 344732282 /nfs/dbraw/zinc/73/22/82/344732282.db2.gz OJUSSRNXZQIYGV-QMMMGPOBSA-N 1 1 175.235 1.488 10 30 ADEEMO C#CC[C@H](C)Nc1ccc(N)c[nH+]1 235084681 344732566 /nfs/dbraw/zinc/73/25/66/344732566.db2.gz GORPDJUBOFAJPS-QMMMGPOBSA-N 1 1 175.235 1.488 10 30 ADEEMO C[C@H](C#N)CN1CCC[N@@H+](C)C[C@@H]1C 235107745 344733407 /nfs/dbraw/zinc/73/34/07/344733407.db2.gz YVSMZRVQNNXMCM-MNOVXSKESA-N 1 1 195.310 1.172 10 30 ADEEMO C#C[C@@H](C)Nc1ccc(N)c[nH+]1 235224036 344736171 /nfs/dbraw/zinc/73/61/71/344736171.db2.gz RMAXRBRWSMVVEK-SSDOTTSWSA-N 1 1 161.208 1.097 10 30 ADEEMO C[C@@H]1CC(C)(C)C[C@@]1([NH3+])C#N 235266034 344738883 /nfs/dbraw/zinc/73/88/83/344738883.db2.gz AGAJKZPWBBQQSV-VXNVDRBHSA-N 1 1 152.241 1.664 10 30 ADEEMO C[C@@H]1CC(C)(C)C[C@]1([NH3+])C#N 235337341 344744515 /nfs/dbraw/zinc/74/45/15/344744515.db2.gz AGAJKZPWBBQQSV-APPZFPTMSA-N 1 1 152.241 1.664 10 30 ADEEMO C#CC[C@@H](C)Nc1[nH+]cccc1N 235444904 344749853 /nfs/dbraw/zinc/74/98/53/344749853.db2.gz OJUSSRNXZQIYGV-MRVPVSSYSA-N 1 1 175.235 1.488 10 30 ADEEMO C#CC[C@@H](C)Nc1ccc(N)c[nH+]1 235443799 344749919 /nfs/dbraw/zinc/74/99/19/344749919.db2.gz GORPDJUBOFAJPS-MRVPVSSYSA-N 1 1 175.235 1.488 10 30 ADEEMO C[C@H]1C[N@H+](C)CCCN1C[C@@H](C)C#N 235469513 344751096 /nfs/dbraw/zinc/75/10/96/344751096.db2.gz YVSMZRVQNNXMCM-QWRGUYRKSA-N 1 1 195.310 1.172 10 30 ADEEMO C#C[C@H](C)Nc1[nH+]cccc1N 235549240 344754177 /nfs/dbraw/zinc/75/41/77/344754177.db2.gz NYGYGMSTKVDHFM-ZETCQYMHSA-N 1 1 161.208 1.097 10 30 ADEEMO C[C@H]1CC(C)(C)C[C@@]1([NH3+])C#N 235559588 344754826 /nfs/dbraw/zinc/75/48/26/344754826.db2.gz AGAJKZPWBBQQSV-IONNQARKSA-N 1 1 152.241 1.664 10 30 ADEEMO C#C[C@H](C)Nc1ccc(N)c[nH+]1 235559907 344754914 /nfs/dbraw/zinc/75/49/14/344754914.db2.gz RMAXRBRWSMVVEK-ZETCQYMHSA-N 1 1 161.208 1.097 10 30 ADEEMO C[C@H]1CC(C)(C)C[C@]1([NH3+])C#N 235603727 344758783 /nfs/dbraw/zinc/75/87/83/344758783.db2.gz AGAJKZPWBBQQSV-CBAPKCEASA-N 1 1 152.241 1.664 10 30 ADEEMO C#CCCN1CCC[N@@H+](C)C[C@@H]1C 235615974 344759603 /nfs/dbraw/zinc/75/96/03/344759603.db2.gz RDRFFPXIHLZCCA-NSHDSACASA-N 1 1 180.295 1.036 10 30 ADEEMO C#CCCN1CCC[N@H+](C)C[C@@H]1C 235615974 344759605 /nfs/dbraw/zinc/75/96/05/344759605.db2.gz RDRFFPXIHLZCCA-NSHDSACASA-N 1 1 180.295 1.036 10 30 ADEEMO C#CCCC[N@@H+]1CCCN(C)C[C@@H]1C 235617933 344759624 /nfs/dbraw/zinc/75/96/24/344759624.db2.gz GLIJFNQDYTXYAF-LBPRGKRZSA-N 1 1 194.322 1.426 10 30 ADEEMO C#CC[NH2+]Cc1ncc(C)s1 235807588 344767322 /nfs/dbraw/zinc/76/73/22/344767322.db2.gz YGAAMBYPBNVXMM-UHFFFAOYSA-N 1 1 166.249 1.174 10 30 ADEEMO C#C[C@@H]([NH3+])c1cnc(C)s1 235839015 344768867 /nfs/dbraw/zinc/76/88/67/344768867.db2.gz OZQYWNQVVJTLKE-ZCFIWIBFSA-N 1 1 152.222 1.085 10 30 ADEEMO C#CCNc1[nH]c2ccc(F)cc2[nH+]1 236224368 344777941 /nfs/dbraw/zinc/77/79/41/344777941.db2.gz ZQCABIKVAQHJSC-UHFFFAOYSA-N 1 1 189.193 1.747 10 30 ADEEMO C#C[C@H]([NH3+])c1ccc(Cl)o1 236290483 344779572 /nfs/dbraw/zinc/77/95/72/344779572.db2.gz ZJBPAJQEPLTSDN-YFKPBYRVSA-N 1 1 155.584 1.566 10 30 ADEEMO C#C[C@H]([NH3+])c1ncccc1Cl 236290637 344779881 /nfs/dbraw/zinc/77/98/81/344779881.db2.gz HQVCSTWRYMEWNU-ZETCQYMHSA-N 1 1 166.611 1.368 10 30 ADEEMO C#C[C@@H]([NH3+])c1ccc(Cl)o1 236301616 344780298 /nfs/dbraw/zinc/78/02/98/344780298.db2.gz ZJBPAJQEPLTSDN-RXMQYKEDSA-N 1 1 155.584 1.566 10 30 ADEEMO C#C[C@@H]([NH3+])c1ncccc1Cl 236301744 344780493 /nfs/dbraw/zinc/78/04/93/344780493.db2.gz HQVCSTWRYMEWNU-SSDOTTSWSA-N 1 1 166.611 1.368 10 30 ADEEMO C#CCCNc1[nH+]cccc1N 236338848 344782009 /nfs/dbraw/zinc/78/20/09/344782009.db2.gz NRDQDUICBHNKCQ-UHFFFAOYSA-N 1 1 161.208 1.099 10 30 ADEEMO C#CCCNc1ccc(N)c[nH+]1 236350470 344782150 /nfs/dbraw/zinc/78/21/50/344782150.db2.gz CMCJWNAFSNPLHZ-UHFFFAOYSA-N 1 1 161.208 1.099 10 30 ADEEMO C=CCC[NH2+]c1ccc(N)c(N)c1 236350579 344782324 /nfs/dbraw/zinc/78/23/24/344782324.db2.gz OTPUAMKIODSDIE-UHFFFAOYSA-N 1 1 177.251 1.839 10 30 ADEEMO C=C(Cl)CNc1cc[nH+]c(N)n1 236366170 344783040 /nfs/dbraw/zinc/78/30/40/344783040.db2.gz USMWKHGYEVTRHJ-UHFFFAOYSA-N 1 1 184.630 1.223 10 30 ADEEMO CC#CC(C)(C)[N@@H+](C)C[C@H](C)O 238024759 344791444 /nfs/dbraw/zinc/79/14/44/344791444.db2.gz ILIUWVHGILGQFY-VIFPVBQESA-N 1 1 169.268 1.101 10 30 ADEEMO CC#CC(C)(C)[N@@H+](C)C[C@@H](C)O 238024725 344791661 /nfs/dbraw/zinc/79/16/61/344791661.db2.gz ILIUWVHGILGQFY-SECBINFHSA-N 1 1 169.268 1.101 10 30 ADEEMO [NH3+]CCCC/N=C/c1ccccc1 238555334 344813116 /nfs/dbraw/zinc/81/31/16/344813116.db2.gz LWRSEDRUOBBYPL-JLHYYAGUSA-N 1 1 176.263 1.844 10 30 ADEEMO N#Cc1cccc([C@H]([NH3+])C(F)F)c1 238642024 344816771 /nfs/dbraw/zinc/81/67/71/344816771.db2.gz ZSULWLYCLUNADY-QMMMGPOBSA-N 1 1 182.173 1.823 10 30 ADEEMO C[C@H]1CCC[N@@H+](C[C@H]2CO2)C1 242574936 344825238 /nfs/dbraw/zinc/82/52/38/344825238.db2.gz NKWOTMSEBBVNDJ-IUCAKERBSA-N 1 1 155.241 1.117 10 30 ADEEMO C[N@@H+](CCC#N)[C@H]1CCCCC[C@H]1O 249956390 344828790 /nfs/dbraw/zinc/82/87/90/344828790.db2.gz CCMRBKHPXRUJMC-WDEREUQCSA-N 1 1 196.294 1.525 10 30 ADEEMO C[N@@H+](CCC#N)[C@@H]1CCCCC[C@H]1O 249956387 344828804 /nfs/dbraw/zinc/82/88/04/344828804.db2.gz CCMRBKHPXRUJMC-GHMZBOCLSA-N 1 1 196.294 1.525 10 30 ADEEMO COCC[N@H+](C)[C@@H]1CCC[C@H]1C#N 249993341 344829329 /nfs/dbraw/zinc/82/93/29/344829329.db2.gz OSBZSXJNMQAHHF-VHSXEESVSA-N 1 1 182.267 1.257 10 30 ADEEMO COCC[N@@H+](C)[C@@H]1CCC[C@H]1C#N 249993341 344829331 /nfs/dbraw/zinc/82/93/31/344829331.db2.gz OSBZSXJNMQAHHF-VHSXEESVSA-N 1 1 182.267 1.257 10 30 ADEEMO COCC[N@H+](C)[C@H]1CCC[C@H]1C#N 249993336 344829493 /nfs/dbraw/zinc/82/94/93/344829493.db2.gz OSBZSXJNMQAHHF-UWVGGRQHSA-N 1 1 182.267 1.257 10 30 ADEEMO COCC[N@@H+](C)[C@H]1CCC[C@H]1C#N 249993336 344829494 /nfs/dbraw/zinc/82/94/94/344829494.db2.gz OSBZSXJNMQAHHF-UWVGGRQHSA-N 1 1 182.267 1.257 10 30 ADEEMO COCCC[N@@H+](C)[C@H]1CCC[C@H]1C#N 249999638 344829577 /nfs/dbraw/zinc/82/95/77/344829577.db2.gz QZGYWOZBJGGOSH-QWRGUYRKSA-N 1 1 196.294 1.647 10 30 ADEEMO CN(C)[C@]1(C#N)CC[N@H+]2CCC[C@H]2C1 250349688 344832052 /nfs/dbraw/zinc/83/20/52/344832052.db2.gz IUCODGGRJDBISU-WDEREUQCSA-N 1 1 193.294 1.069 10 30 ADEEMO CC[N@H+]1CCN(C[C@@H](C)C#N)C[C@H]1C 250358195 344832132 /nfs/dbraw/zinc/83/21/32/344832132.db2.gz SQEYQFGEYRTCOS-WDEREUQCSA-N 1 1 195.310 1.172 10 30 ADEEMO CN(C)[C@@]1(C#N)CC[N@H+]2CCC[C@H]2C1 250349685 344832225 /nfs/dbraw/zinc/83/22/25/344832225.db2.gz IUCODGGRJDBISU-QWRGUYRKSA-N 1 1 193.294 1.069 10 30 ADEEMO CC[N@H+]1CCN(C[C@H](C)C#N)C[C@H]1C 250358190 344832278 /nfs/dbraw/zinc/83/22/78/344832278.db2.gz SQEYQFGEYRTCOS-GHMZBOCLSA-N 1 1 195.310 1.172 10 30 ADEEMO C=CCN1CCC[N@H+]2CCCC[C@H]2C1 250516202 344835110 /nfs/dbraw/zinc/83/51/10/344835110.db2.gz GVPFLUYTJQYRTE-LBPRGKRZSA-N 1 1 194.322 1.733 10 30 ADEEMO C=CC[N@@H+]1CCCN2CCCC[C@H]2C1 250516202 344835112 /nfs/dbraw/zinc/83/51/12/344835112.db2.gz GVPFLUYTJQYRTE-LBPRGKRZSA-N 1 1 194.322 1.733 10 30 ADEEMO C=CC[N@H+]1CCCN2CCCC[C@H]2C1 250516202 344835114 /nfs/dbraw/zinc/83/51/14/344835114.db2.gz GVPFLUYTJQYRTE-LBPRGKRZSA-N 1 1 194.322 1.733 10 30 ADEEMO CC#CCN1CCC[C@H]([C@H](C)[NH3+])C1 250517288 344835148 /nfs/dbraw/zinc/83/51/48/344835148.db2.gz HRDFWODAFDORBP-QWRGUYRKSA-N 1 1 180.295 1.069 10 30 ADEEMO CC#CCN1CCC[C@@H]([C@H](C)[NH3+])C1 250517294 344835287 /nfs/dbraw/zinc/83/52/87/344835287.db2.gz HRDFWODAFDORBP-WDEREUQCSA-N 1 1 180.295 1.069 10 30 ADEEMO CC#CCN1C[C@H](C[NH3+])CC[C@H]1C 250530455 344835672 /nfs/dbraw/zinc/83/56/72/344835672.db2.gz SKSQZRATHTYOQV-MNOVXSKESA-N 1 1 180.295 1.069 10 30 ADEEMO C=CCN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 250531792 344835776 /nfs/dbraw/zinc/83/57/76/344835776.db2.gz UNDYCLPPNWQROQ-VXGBXAGGSA-N 1 1 194.322 1.636 10 30 ADEEMO CC#CCN[C@H]1CC[N@H+]2CCC[C@H]2C1 250535233 344835789 /nfs/dbraw/zinc/83/57/89/344835789.db2.gz XQBOIZDARAUUSS-RYUDHWBXSA-N 1 1 192.306 1.226 10 30 ADEEMO CCOCC[N@H+](C)[C@H]1CCC[C@H]1C#N 250529055 344835801 /nfs/dbraw/zinc/83/58/01/344835801.db2.gz RJFWFFWIGRLOPC-QWRGUYRKSA-N 1 1 196.294 1.647 10 30 ADEEMO CCOCC[N@@H+](C)[C@H]1CCC[C@H]1C#N 250529055 344835803 /nfs/dbraw/zinc/83/58/03/344835803.db2.gz RJFWFFWIGRLOPC-QWRGUYRKSA-N 1 1 196.294 1.647 10 30 ADEEMO C=C(C)[C@@]1(O)CC[N@H+]2CCC[C@H]2C1 250536274 344835809 /nfs/dbraw/zinc/83/58/09/344835809.db2.gz YNLIMBRCAFQPFL-WDEREUQCSA-N 1 1 181.279 1.552 10 30 ADEEMO CC#CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 250535229 344835812 /nfs/dbraw/zinc/83/58/12/344835812.db2.gz XQBOIZDARAUUSS-NEPJUHHUSA-N 1 1 192.306 1.226 10 30 ADEEMO C=C(C)[C@]1(O)CC[N@H+]2CCC[C@H]2C1 250536270 344835930 /nfs/dbraw/zinc/83/59/30/344835930.db2.gz YNLIMBRCAFQPFL-QWRGUYRKSA-N 1 1 181.279 1.552 10 30 ADEEMO C#CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 250634074 344837907 /nfs/dbraw/zinc/83/79/07/344837907.db2.gz FASWUKFURQLSPK-IJLUTSLNSA-N 1 1 192.306 1.130 10 30 ADEEMO C#CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 250634077 344838141 /nfs/dbraw/zinc/83/81/41/344838141.db2.gz FASWUKFURQLSPK-QJPTWQEYSA-N 1 1 192.306 1.130 10 30 ADEEMO C#CCC[C@]1(O)CC[N@H+]2CCC[C@H]2C1 250653176 344838453 /nfs/dbraw/zinc/83/84/53/344838453.db2.gz MVULEKGTLMRONQ-RYUDHWBXSA-N 1 1 193.290 1.389 10 30 ADEEMO C#CCC[C@@]1(O)CC[N@H+]2CCC[C@H]2C1 250653175 344838485 /nfs/dbraw/zinc/83/84/85/344838485.db2.gz MVULEKGTLMRONQ-NWDGAFQWSA-N 1 1 193.290 1.389 10 30 ADEEMO C#CCN1CCC[N@H+]2CCCC[C@H]2C1 250666268 344839430 /nfs/dbraw/zinc/83/94/30/344839430.db2.gz RYALLWZFUAAHEY-LBPRGKRZSA-N 1 1 192.306 1.180 10 30 ADEEMO C#CC[N@@H+]1CCCN2CCCC[C@H]2C1 250666268 344839431 /nfs/dbraw/zinc/83/94/31/344839431.db2.gz RYALLWZFUAAHEY-LBPRGKRZSA-N 1 1 192.306 1.180 10 30 ADEEMO C#CC[N@H+]1CCCN2CCCC[C@H]2C1 250666268 344839434 /nfs/dbraw/zinc/83/94/34/344839434.db2.gz RYALLWZFUAAHEY-LBPRGKRZSA-N 1 1 192.306 1.180 10 30 ADEEMO O=C[C@H]1CCCC[N@H+]1C[C@H]1CCOC1 250849636 344842479 /nfs/dbraw/zinc/84/24/79/344842479.db2.gz NWSXZDZMJHHUDD-GHMZBOCLSA-N 1 1 197.278 1.076 10 30 ADEEMO O=C[C@@H]1CCCC[N@H+]1C[C@H]1CCOC1 250849637 344842518 /nfs/dbraw/zinc/84/25/18/344842518.db2.gz NWSXZDZMJHHUDD-MNOVXSKESA-N 1 1 197.278 1.076 10 30 ADEEMO C1CC[C@@H]2[C@H](C1)CC[N@@H+]2C[C@H]1CO1 250842712 344842535 /nfs/dbraw/zinc/84/25/35/344842535.db2.gz MJNFJSGETBCRKQ-OUAUKWLOSA-N 1 1 181.279 1.650 10 30 ADEEMO C#CC(C)(C)N1CC[N@H+]2CCC[C@H]2C1 251029233 344844668 /nfs/dbraw/zinc/84/46/68/344844668.db2.gz HQBGKWGQWMMBOX-NSHDSACASA-N 1 1 192.306 1.178 10 30 ADEEMO C[C@@H](C#N)C[N@H+](C)[C@H]1CCCC(=O)C1 251071272 344845978 /nfs/dbraw/zinc/84/59/78/344845978.db2.gz FNTWKCCOTCOQTC-UWVGGRQHSA-N 1 1 194.278 1.590 10 30 ADEEMO C[C@@H](C#N)C[N@@H+](C)[C@H]1CCCC(=O)C1 251071272 344845980 /nfs/dbraw/zinc/84/59/80/344845980.db2.gz FNTWKCCOTCOQTC-UWVGGRQHSA-N 1 1 194.278 1.590 10 30 ADEEMO C[C@H](C#N)C[N@@H+](C)CC[C@H]1CCCO1 251075479 344846008 /nfs/dbraw/zinc/84/60/08/344846008.db2.gz GIOBYKKTPBBDIK-GHMZBOCLSA-N 1 1 196.294 1.647 10 30 ADEEMO C[C@@H](C#N)C[N@@H+](C)CC[C@H]1CCCO1 251075480 344846026 /nfs/dbraw/zinc/84/60/26/344846026.db2.gz GIOBYKKTPBBDIK-WDEREUQCSA-N 1 1 196.294 1.647 10 30 ADEEMO C[C@H](C#N)C[N@H+](C)[C@H]1CCCC(=O)C1 251071274 344846302 /nfs/dbraw/zinc/84/63/02/344846302.db2.gz FNTWKCCOTCOQTC-ZJUUUORDSA-N 1 1 194.278 1.590 10 30 ADEEMO C[C@H](C#N)C[N@@H+](C)[C@H]1CCCC(=O)C1 251071274 344846303 /nfs/dbraw/zinc/84/63/03/344846303.db2.gz FNTWKCCOTCOQTC-ZJUUUORDSA-N 1 1 194.278 1.590 10 30 ADEEMO C1C[C@H]2[C@H](C1)CCC[N@@H+]2C[C@@H]1CO1 251155673 344848077 /nfs/dbraw/zinc/84/80/77/344848077.db2.gz KSKLFRCSMJBVHT-MXWKQRLJSA-N 1 1 181.279 1.650 10 30 ADEEMO C1C[C@@H]2CCC[N@H+](C[C@H]3CO3)[C@@H]2C1 251155677 344848213 /nfs/dbraw/zinc/84/82/13/344848213.db2.gz KSKLFRCSMJBVHT-OUAUKWLOSA-N 1 1 181.279 1.650 10 30 ADEEMO CC[C@H](C#N)N(C)[C@H]1CCC[N@@H+](C)C1 251197321 344848982 /nfs/dbraw/zinc/84/89/82/344848982.db2.gz FIUXGSPRBKQBCL-MNOVXSKESA-N 1 1 195.310 1.315 10 30 ADEEMO CC[C@H](C#N)N1CC[N@H+]2CCC[C@H]2C1 251197272 344848995 /nfs/dbraw/zinc/84/89/95/344848995.db2.gz FHPPCIQAQLFSNZ-MNOVXSKESA-N 1 1 193.294 1.069 10 30 ADEEMO CC[C@@H](C#N)N(C)[C@H]1CCC[N@@H+](C)C1 251197325 344849182 /nfs/dbraw/zinc/84/91/82/344849182.db2.gz FIUXGSPRBKQBCL-QWRGUYRKSA-N 1 1 195.310 1.315 10 30 ADEEMO CC[C@@H](C#N)N1CC[N@H+]2CCC[C@H]2C1 251197275 344849207 /nfs/dbraw/zinc/84/92/07/344849207.db2.gz FHPPCIQAQLFSNZ-QWRGUYRKSA-N 1 1 193.294 1.069 10 30 ADEEMO C=C(CC)C[N@@H+]1C[C@@H](C)NC[C@H]1C 251222977 344850078 /nfs/dbraw/zinc/85/00/78/344850078.db2.gz NJWUOPKLMLEIEW-GHMZBOCLSA-N 1 1 182.311 1.635 10 30 ADEEMO C=C(CC)C[N@H+]1C[C@@H](C)NC[C@H]1C 251222977 344850083 /nfs/dbraw/zinc/85/00/83/344850083.db2.gz NJWUOPKLMLEIEW-GHMZBOCLSA-N 1 1 182.311 1.635 10 30 ADEEMO C=C(CC)C[N@@H+]1C[C@H](C)NC[C@H]1C 251222981 344850240 /nfs/dbraw/zinc/85/02/40/344850240.db2.gz NJWUOPKLMLEIEW-WDEREUQCSA-N 1 1 182.311 1.635 10 30 ADEEMO CC[C@H](C#N)[N@@H+]1CCC[C@H]1C 251260788 344850967 /nfs/dbraw/zinc/85/09/67/344850967.db2.gz YCKXDLJBNJOZNW-RKDXNWHRSA-N 1 1 152.241 1.773 10 30 ADEEMO CC[C@H](C#N)[N@H+]1CCC[C@H]1C 251260788 344850968 /nfs/dbraw/zinc/85/09/68/344850968.db2.gz YCKXDLJBNJOZNW-RKDXNWHRSA-N 1 1 152.241 1.773 10 30 ADEEMO CC[C@H](CC#N)[N@H+]1CC[C@H]1C 251399527 344853744 /nfs/dbraw/zinc/85/37/44/344853744.db2.gz YTEJKASQUTZJKJ-RKDXNWHRSA-N 1 1 152.241 1.773 10 30 ADEEMO N#C[C@H]1CCC[N@@H+]([C@H]2CCOC2)C1 251419480 344853708 /nfs/dbraw/zinc/85/37/08/344853708.db2.gz SBMFIJNFRBQFNM-ZJUUUORDSA-N 1 1 180.251 1.011 10 30 ADEEMO N#C[C@H]1CCC[N@H+]([C@H]2CCOC2)C1 251419480 344853710 /nfs/dbraw/zinc/85/37/10/344853710.db2.gz SBMFIJNFRBQFNM-ZJUUUORDSA-N 1 1 180.251 1.011 10 30 ADEEMO CC[C@@H](CC#N)[N@H+]1CC[C@H]1C 251399525 344853733 /nfs/dbraw/zinc/85/37/33/344853733.db2.gz YTEJKASQUTZJKJ-BDAKNGLRSA-N 1 1 152.241 1.773 10 30 ADEEMO N#C[C@@H]1CCC[N@@H+]([C@H]2CCOC2)C1 251419476 344853847 /nfs/dbraw/zinc/85/38/47/344853847.db2.gz SBMFIJNFRBQFNM-UWVGGRQHSA-N 1 1 180.251 1.011 10 30 ADEEMO N#C[C@@H]1CCC[N@H+]([C@H]2CCOC2)C1 251419476 344853849 /nfs/dbraw/zinc/85/38/49/344853849.db2.gz SBMFIJNFRBQFNM-UWVGGRQHSA-N 1 1 180.251 1.011 10 30 ADEEMO C[C@@H](CC#N)[N@@H+](C)CC[C@H]1CCCO1 251449834 344854120 /nfs/dbraw/zinc/85/41/20/344854120.db2.gz BQBQYZSMVDUDOQ-WDEREUQCSA-N 1 1 196.294 1.789 10 30 ADEEMO C[C@H](CC#N)[N@@H+](C)CC[C@H]1CCCO1 251449831 344854271 /nfs/dbraw/zinc/85/42/71/344854271.db2.gz BQBQYZSMVDUDOQ-GHMZBOCLSA-N 1 1 196.294 1.789 10 30 ADEEMO C[C@@H](CC#N)[N@H+](C)[C@H]1CCCC(=O)C1 251514513 344855168 /nfs/dbraw/zinc/85/51/68/344855168.db2.gz ITAOEBRGYNZRJO-UWVGGRQHSA-N 1 1 194.278 1.732 10 30 ADEEMO C[C@@H](CC#N)[N@@H+](C)[C@H]1CCCC(=O)C1 251514513 344855170 /nfs/dbraw/zinc/85/51/70/344855170.db2.gz ITAOEBRGYNZRJO-UWVGGRQHSA-N 1 1 194.278 1.732 10 30 ADEEMO C[C@H](CC#N)[N@H+](C)[C@H]1CCCC(=O)C1 251514516 344855259 /nfs/dbraw/zinc/85/52/59/344855259.db2.gz ITAOEBRGYNZRJO-ZJUUUORDSA-N 1 1 194.278 1.732 10 30 ADEEMO C[C@H](CC#N)[N@@H+](C)[C@H]1CCCC(=O)C1 251514516 344855261 /nfs/dbraw/zinc/85/52/61/344855261.db2.gz ITAOEBRGYNZRJO-ZJUUUORDSA-N 1 1 194.278 1.732 10 30 ADEEMO C[C@H](C#N)C[NH+]1C[C@@H](C)S[C@H](C)C1 251527747 344855726 /nfs/dbraw/zinc/85/57/26/344855726.db2.gz ANJZMJXVXYSTLS-OPRDCNLKSA-N 1 1 198.335 1.972 10 30 ADEEMO C[C@H](C#N)C[N@@H+]1CCCO[C@H](C)C1 251538198 344856616 /nfs/dbraw/zinc/85/66/16/344856616.db2.gz APWKDBSITRTQDF-NXEZZACHSA-N 1 1 182.267 1.257 10 30 ADEEMO C[C@H](C#N)C[N@H+]1CCCO[C@H](C)C1 251538198 344856618 /nfs/dbraw/zinc/85/66/18/344856618.db2.gz APWKDBSITRTQDF-NXEZZACHSA-N 1 1 182.267 1.257 10 30 ADEEMO C[C@H](CS)C[N@H+]1CC[C@H](C)C1 251534843 344856681 /nfs/dbraw/zinc/85/66/81/344856681.db2.gz BAJGHDPJNIQOAG-IUCAKERBSA-N 1 1 173.325 1.894 10 30 ADEEMO ON=C1CC[N@H+]2CCC[C@@H]2C1 251597390 344859940 /nfs/dbraw/zinc/85/99/40/344859940.db2.gz ZUUVXGVXNMXKEN-MRVPVSSYSA-N 1 1 154.213 1.075 10 30 ADEEMO ON=C1CC[N@H+]2CCC[C@H]2C1 251597395 344860003 /nfs/dbraw/zinc/86/00/03/344860003.db2.gz ZUUVXGVXNMXKEN-QMMMGPOBSA-N 1 1 154.213 1.075 10 30 ADEEMO C[C@H]1C[C@H](C)CC[N@@H+]1C[C@](C)(N)C#N 251619315 344861072 /nfs/dbraw/zinc/86/10/72/344861072.db2.gz CLFHBUFDCIFJLE-OUAUKWLOSA-N 1 1 195.310 1.348 10 30 ADEEMO C[C@H]1C[C@H](C)CC[N@H+]1C[C@](C)(N)C#N 251619315 344861075 /nfs/dbraw/zinc/86/10/75/344861075.db2.gz CLFHBUFDCIFJLE-OUAUKWLOSA-N 1 1 195.310 1.348 10 30 ADEEMO C[C@@H]1CCC[N@@H+]1[C@H](C)C[C@](C)(N)C#N 251614930 344861127 /nfs/dbraw/zinc/86/11/27/344861127.db2.gz CHICIEWZQWQKIY-MXWKQRLJSA-N 1 1 195.310 1.490 10 30 ADEEMO C[C@@H]1CCC[N@@H+]1[C@H](C)C[C@@](C)(N)C#N 251614923 344861139 /nfs/dbraw/zinc/86/11/39/344861139.db2.gz CHICIEWZQWQKIY-GMTAPVOTSA-N 1 1 195.310 1.490 10 30 ADEEMO C[C@@H]1CC[N@H+](C[C@@](C)(N)C#N)[C@H](C)C1 251619310 344861475 /nfs/dbraw/zinc/86/14/75/344861475.db2.gz CLFHBUFDCIFJLE-MXWKQRLJSA-N 1 1 195.310 1.348 10 30 ADEEMO C[C@@H]1CC[N@@H+](C[C@@](C)(N)C#N)[C@H](C)C1 251619310 344861479 /nfs/dbraw/zinc/86/14/79/344861479.db2.gz CLFHBUFDCIFJLE-MXWKQRLJSA-N 1 1 195.310 1.348 10 30 ADEEMO C[C@@H](C[C@@](C)(N)C#N)[N@H+]1CCC[C@H]1C 251614938 344861609 /nfs/dbraw/zinc/86/16/09/344861609.db2.gz CHICIEWZQWQKIY-OUAUKWLOSA-N 1 1 195.310 1.490 10 30 ADEEMO CC[C@@H]1CCC[N@@H+]1[C@H](C)C#N 251629669 344862041 /nfs/dbraw/zinc/86/20/41/344862041.db2.gz FKGNHYZSMGABLS-RKDXNWHRSA-N 1 1 152.241 1.773 10 30 ADEEMO CC[C@@H]1CCC[N@H+]1[C@H](C)C#N 251629669 344862044 /nfs/dbraw/zinc/86/20/44/344862044.db2.gz FKGNHYZSMGABLS-RKDXNWHRSA-N 1 1 152.241 1.773 10 30 ADEEMO C[C@@H]1C[N@@H+]([C@H](C)CC#N)CCCO1 251623170 344862174 /nfs/dbraw/zinc/86/21/74/344862174.db2.gz FAEGYSODKYZPNI-NXEZZACHSA-N 1 1 182.267 1.399 10 30 ADEEMO CC[C@H]1CCC[N@@H+]1[C@H](C)C#N 251629664 344862132 /nfs/dbraw/zinc/86/21/32/344862132.db2.gz FKGNHYZSMGABLS-BDAKNGLRSA-N 1 1 152.241 1.773 10 30 ADEEMO CC[C@H]1CCC[N@H+]1[C@H](C)C#N 251629664 344862134 /nfs/dbraw/zinc/86/21/34/344862134.db2.gz FKGNHYZSMGABLS-BDAKNGLRSA-N 1 1 152.241 1.773 10 30 ADEEMO C[C@@H]1C[N@H+]([C@H](C)CC#N)CCCO1 251623170 344862172 /nfs/dbraw/zinc/86/21/72/344862172.db2.gz FAEGYSODKYZPNI-NXEZZACHSA-N 1 1 182.267 1.399 10 30 ADEEMO C=CCCN1CC[C@H](C)[C@H]([NH3+])C1 251646315 344862763 /nfs/dbraw/zinc/86/27/63/344862763.db2.gz JNHYRIYLMVPAPO-VHSXEESVSA-N 1 1 168.284 1.232 10 30 ADEEMO C=CCCN1CC[C@@H](C)[C@H]([NH3+])C1 251646309 344862952 /nfs/dbraw/zinc/86/29/52/344862952.db2.gz JNHYRIYLMVPAPO-NXEZZACHSA-N 1 1 168.284 1.232 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCCC[C@H]1C=O 251655849 344863229 /nfs/dbraw/zinc/86/32/29/344863229.db2.gz TWWMCIUAFLPKRX-ZJUUUORDSA-N 1 1 167.252 1.614 10 30 ADEEMO CC[C@H](C)[N@@H+]1CCC[C@H]1C#N 251658441 344863334 /nfs/dbraw/zinc/86/33/34/344863334.db2.gz BPTQHWDTVSVFNO-IUCAKERBSA-N 1 1 152.241 1.773 10 30 ADEEMO CC[C@H](C)[N@H+]1CCC[C@H]1C#N 251658441 344863337 /nfs/dbraw/zinc/86/33/37/344863337.db2.gz BPTQHWDTVSVFNO-IUCAKERBSA-N 1 1 152.241 1.773 10 30 ADEEMO C#CCN1C[C@@H]2CCC[N@@H+]2C[C@H]1CC 251658972 344863646 /nfs/dbraw/zinc/86/36/46/344863646.db2.gz GYJKYEJKGLQVQH-NEPJUHHUSA-N 1 1 192.306 1.178 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCCC[C@H]1C=O 251655846 344863736 /nfs/dbraw/zinc/86/37/36/344863736.db2.gz TWWMCIUAFLPKRX-UWVGGRQHSA-N 1 1 167.252 1.614 10 30 ADEEMO CC[C@@H](C)[N@@H+]1CCC[C@H]1C#N 251658440 344863859 /nfs/dbraw/zinc/86/38/59/344863859.db2.gz BPTQHWDTVSVFNO-BDAKNGLRSA-N 1 1 152.241 1.773 10 30 ADEEMO CC[C@@H](C)[N@H+]1CCC[C@H]1C#N 251658440 344863862 /nfs/dbraw/zinc/86/38/62/344863862.db2.gz BPTQHWDTVSVFNO-BDAKNGLRSA-N 1 1 152.241 1.773 10 30 ADEEMO C[C@H]1[C@H](C)CCC[C@@]1([NH3+])C#N 251668294 344864179 /nfs/dbraw/zinc/86/41/79/344864179.db2.gz GIBUDXZPGXQGSK-HRDYMLBCSA-N 1 1 152.241 1.664 10 30 ADEEMO C[C@H]1[C@H](C)CCC[C@]1([NH3+])C#N 251668297 344864558 /nfs/dbraw/zinc/86/45/58/344864558.db2.gz GIBUDXZPGXQGSK-VGMNWLOBSA-N 1 1 152.241 1.664 10 30 ADEEMO C[C@H](CC#N)N(C)[C@H]1CCC[N@@H+](C)C1 251679903 344865661 /nfs/dbraw/zinc/86/56/61/344865661.db2.gz VQZIFGHUPZAXBL-MNOVXSKESA-N 1 1 195.310 1.315 10 30 ADEEMO C[C@@H](CC#N)N(C)[C@H]1CCC[N@@H+](C)C1 251679907 344865987 /nfs/dbraw/zinc/86/59/87/344865987.db2.gz VQZIFGHUPZAXBL-QWRGUYRKSA-N 1 1 195.310 1.315 10 30 ADEEMO C[C@@H]1CC[C@@]([NH3+])(C#N)C[C@H]1C 251701842 344866944 /nfs/dbraw/zinc/86/69/44/344866944.db2.gz HSIVHQLUXOUPOE-HLTSFMKQSA-N 1 1 152.241 1.664 10 30 ADEEMO C[C@@H]1CC[C@]([NH3+])(C#N)C[C@H]1C 251701843 344867148 /nfs/dbraw/zinc/86/71/48/344867148.db2.gz HSIVHQLUXOUPOE-IWSPIJDZSA-N 1 1 152.241 1.664 10 30 ADEEMO C[C@H](C#N)C[N@@H+]1CC[C@H]1C 251736494 344869189 /nfs/dbraw/zinc/86/91/89/344869189.db2.gz QYLINWKBTJGQBX-HTQZYQBOSA-N 1 1 138.214 1.240 10 30 ADEEMO C[C@H](C#N)C[N@H+]1CC[C@H]1C 251736494 344869191 /nfs/dbraw/zinc/86/91/91/344869191.db2.gz QYLINWKBTJGQBX-HTQZYQBOSA-N 1 1 138.214 1.240 10 30 ADEEMO C[C@H](CC#N)[N@@H+]1CCSC[C@H]1C 251756208 344870636 /nfs/dbraw/zinc/87/06/36/344870636.db2.gz LOPHGMVNHHBDHO-RKDXNWHRSA-N 1 1 184.308 1.726 10 30 ADEEMO C[C@H](CC#N)[N@H+]1CCSC[C@H]1C 251756208 344870638 /nfs/dbraw/zinc/87/06/38/344870638.db2.gz LOPHGMVNHHBDHO-RKDXNWHRSA-N 1 1 184.308 1.726 10 30 ADEEMO C[C@H](C#N)C[N@H+]1CC[C@H](C)C1 251755536 344870647 /nfs/dbraw/zinc/87/06/47/344870647.db2.gz STWDNCPECOVIFU-DTWKUNHWSA-N 1 1 152.241 1.488 10 30 ADEEMO CC#CCN1CC[C@@H]([NH3+])[C@H](CC)C1 251791865 344873193 /nfs/dbraw/zinc/87/31/93/344873193.db2.gz NPSZWAQHWQJOIA-GHMZBOCLSA-N 1 1 180.295 1.069 10 30 ADEEMO C[C@@H]1CC[C@@H](C)[N@@H+](C[C@H]2CO2)C1 251976390 344882664 /nfs/dbraw/zinc/88/26/64/344882664.db2.gz YKTWNPRJTQJIFH-BBBLOLIVSA-N 1 1 169.268 1.506 10 30 ADEEMO C[C@H]1CC[C@@H](C)C[N@@H+]1C[C@H]1CO1 251976392 344882733 /nfs/dbraw/zinc/88/27/33/344882733.db2.gz YKTWNPRJTQJIFH-UTLUCORTSA-N 1 1 169.268 1.506 10 30 ADEEMO C[C@H](C#N)C[N@H+]1CCC[C@H](C)C1 252108055 344885262 /nfs/dbraw/zinc/88/52/62/344885262.db2.gz HIBQDDVJOOBRHA-VHSXEESVSA-N 1 1 166.268 1.878 10 30 ADEEMO C[C@H]1CCC[N@H+]1C[C@](N)(C#N)C1CC1 252123653 344886734 /nfs/dbraw/zinc/88/67/34/344886734.db2.gz JSIPXLWUXBWLIN-GXSJLCMTSA-N 1 1 193.294 1.102 10 30 ADEEMO C[C@@H]1CCC[N@H+]1C[C@](N)(C#N)C1CC1 252123654 344886833 /nfs/dbraw/zinc/88/68/33/344886833.db2.gz JSIPXLWUXBWLIN-MWLCHTKSSA-N 1 1 193.294 1.102 10 30 ADEEMO C[C@H]1CCCCC[N@H+]1C[C@H]1CO1 252133322 344886988 /nfs/dbraw/zinc/88/69/88/344886988.db2.gz LDKMNUWNEOAMRR-UWVGGRQHSA-N 1 1 169.268 1.650 10 30 ADEEMO C[C@@H]1CCCCC[N@H+]1C[C@H]1CO1 252133323 344887262 /nfs/dbraw/zinc/88/72/62/344887262.db2.gz LDKMNUWNEOAMRR-ZJUUUORDSA-N 1 1 169.268 1.650 10 30 ADEEMO C[C@@H]1CC[N@@H+](CC[C@@H](N)C#N)[C@H](C)C1 252135897 344887764 /nfs/dbraw/zinc/88/77/64/344887764.db2.gz LMEPHRUKSRQBJR-GMTAPVOTSA-N 1 1 195.310 1.348 10 30 ADEEMO C[C@H]1C[C@H](C)CC[N@H+]1CC[C@H](N)C#N 252135898 344887784 /nfs/dbraw/zinc/88/77/84/344887784.db2.gz LMEPHRUKSRQBJR-VWYCJHECSA-N 1 1 195.310 1.348 10 30 ADEEMO C#CC[NH2+][C@]1(CN)C[C@@H](C)C[C@@H](C)C1 252177671 344890273 /nfs/dbraw/zinc/89/02/73/344890273.db2.gz SHXGZXRMWSBNOV-GDNZZTSVSA-N 1 1 194.322 1.363 10 30 ADEEMO C[C@H]1[C@H](C)CCC[N@H+]1CC[C@H](N)C#N 252188463 344890617 /nfs/dbraw/zinc/89/06/17/344890617.db2.gz RFTPUXFTJOOZSH-VWYCJHECSA-N 1 1 195.310 1.348 10 30 ADEEMO C[C@H]1[C@H](C)CCC[N@H+]1CC[C@@H](N)C#N 252188461 344890678 /nfs/dbraw/zinc/89/06/78/344890678.db2.gz RFTPUXFTJOOZSH-OUAUKWLOSA-N 1 1 195.310 1.348 10 30 ADEEMO C[C@H]1C[C@@H](C)C[C@]([NH3+])(C#N)C1 252184485 344890719 /nfs/dbraw/zinc/89/07/19/344890719.db2.gz UCALXWMHSCMMML-AYMMMOKOSA-N 1 1 152.241 1.664 10 30 ADEEMO C[C@@H]1CCCC[C@H]1[N@@H+](C)C[C@H]1CO1 252204003 344891722 /nfs/dbraw/zinc/89/17/22/344891722.db2.gz USMQLHDLGATZSQ-OUAUKWLOSA-N 1 1 183.295 1.896 10 30 ADEEMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)C[C@H]1CO1 252204005 344891783 /nfs/dbraw/zinc/89/17/83/344891783.db2.gz USMQLHDLGATZSQ-VWYCJHECSA-N 1 1 183.295 1.896 10 30 ADEEMO C[C@H]1[C@H](C)CCC[N@H+]1C[C@@H]1CO1 252215213 344893470 /nfs/dbraw/zinc/89/34/70/344893470.db2.gz XLMSHIILYQCZHE-KXUCPTDWSA-N 1 1 169.268 1.506 10 30 ADEEMO C[C@H]1[C@H](C)CCC[N@H+]1C[C@H]1CO1 252215214 344893534 /nfs/dbraw/zinc/89/35/34/344893534.db2.gz XLMSHIILYQCZHE-UTLUCORTSA-N 1 1 169.268 1.506 10 30 ADEEMO C[C@@H]1CC[N@@H+](C[C@H]2CO2)[C@H](C)C1 252221974 344893938 /nfs/dbraw/zinc/89/39/38/344893938.db2.gz ZGNDJJPTHXJVIH-BBBLOLIVSA-N 1 1 169.268 1.506 10 30 ADEEMO CC[N@H+](C[C@@H](C)C#N)[C@H]1CCOC1 252363020 344894027 /nfs/dbraw/zinc/89/40/27/344894027.db2.gz GEIXHZPVOPSKFR-UWVGGRQHSA-N 1 1 182.267 1.257 10 30 ADEEMO CC[N@@H+](C[C@@H](C)C#N)[C@H]1CCOC1 252363020 344894028 /nfs/dbraw/zinc/89/40/28/344894028.db2.gz GEIXHZPVOPSKFR-UWVGGRQHSA-N 1 1 182.267 1.257 10 30 ADEEMO C[C@H]1C[C@H](C)CC[N@H+]1C[C@H]1CO1 252221976 344894127 /nfs/dbraw/zinc/89/41/27/344894127.db2.gz ZGNDJJPTHXJVIH-UTLUCORTSA-N 1 1 169.268 1.506 10 30 ADEEMO CC[N@H+](C[C@H](C)C#N)[C@H]1CCOC1 252363021 344894146 /nfs/dbraw/zinc/89/41/46/344894146.db2.gz GEIXHZPVOPSKFR-ZJUUUORDSA-N 1 1 182.267 1.257 10 30 ADEEMO CC[N@@H+](C[C@H](C)C#N)[C@H]1CCOC1 252363021 344894148 /nfs/dbraw/zinc/89/41/48/344894148.db2.gz GEIXHZPVOPSKFR-ZJUUUORDSA-N 1 1 182.267 1.257 10 30 ADEEMO C1CC[C@@H]2CC[N@H+](C[C@H]3CO3)C[C@H]2C1 252373651 344894359 /nfs/dbraw/zinc/89/43/59/344894359.db2.gz UHFJDGYACZZOAO-UTUOFQBUSA-N 1 1 195.306 1.897 10 30 ADEEMO C[N@@H+](CCO)[C@@H]1CCCCC[C@H]1C#N 252416960 344894857 /nfs/dbraw/zinc/89/48/57/344894857.db2.gz PMQOZPOTLDUBBL-WDEREUQCSA-N 1 1 196.294 1.383 10 30 ADEEMO CC[C@H]1CCC[N@H+]1C[C@H]1CO1 252415128 344894956 /nfs/dbraw/zinc/89/49/56/344894956.db2.gz KBUVINUIORWHGV-IUCAKERBSA-N 1 1 155.241 1.260 10 30 ADEEMO C[N@@H+](CCO)[C@H]1CCCCC[C@H]1C#N 252416959 344895045 /nfs/dbraw/zinc/89/50/45/344895045.db2.gz PMQOZPOTLDUBBL-QWRGUYRKSA-N 1 1 196.294 1.383 10 30 ADEEMO CC[C@@H]1CCC[N@H+]1C[C@H]1CO1 252415127 344895083 /nfs/dbraw/zinc/89/50/83/344895083.db2.gz KBUVINUIORWHGV-BDAKNGLRSA-N 1 1 155.241 1.260 10 30 ADEEMO C[C@H](C#N)C[N@@H+](C)[C@H]1CCCC[C@H]1O 252432386 344895853 /nfs/dbraw/zinc/89/58/53/344895853.db2.gz HSPBXEWAANKLTH-OUAUKWLOSA-N 1 1 196.294 1.381 10 30 ADEEMO CC[N@@H+](C)[C@H]1CCC[C@H]1C#N 252436206 344896294 /nfs/dbraw/zinc/89/62/94/344896294.db2.gz NTFIDEULZBWYNN-IUCAKERBSA-N 1 1 152.241 1.630 10 30 ADEEMO C[N@@H+](C1CC1)[C@@H]1CCC[C@H]1C#N 252437710 344896427 /nfs/dbraw/zinc/89/64/27/344896427.db2.gz XFAKRJGENXOLCK-WCBMZHEXSA-N 1 1 164.252 1.773 10 30 ADEEMO C[N@@H+](C1CC1)[C@H]1CCC[C@H]1C#N 252437711 344896628 /nfs/dbraw/zinc/89/66/28/344896628.db2.gz XFAKRJGENXOLCK-WPRPVWTQSA-N 1 1 164.252 1.773 10 30 ADEEMO C[C@H](CC#N)[N@@H+](C)[C@H]1CCSC1 252438910 344896648 /nfs/dbraw/zinc/89/66/48/344896648.db2.gz IHUJFVBXMAVUMI-BDAKNGLRSA-N 1 1 184.308 1.726 10 30 ADEEMO CC[N@@H+](C)[C@@H]1CCC[C@H]1C#N 252436205 344896655 /nfs/dbraw/zinc/89/66/55/344896655.db2.gz NTFIDEULZBWYNN-DTWKUNHWSA-N 1 1 152.241 1.630 10 30 ADEEMO C[C@@H](CC#N)[N@@H+](C)[C@H]1CCSC1 252438911 344896731 /nfs/dbraw/zinc/89/67/31/344896731.db2.gz IHUJFVBXMAVUMI-IUCAKERBSA-N 1 1 184.308 1.726 10 30 ADEEMO CC[C@@H]1CCCC[N@H+]1C[C@H]1CO1 252437286 344896748 /nfs/dbraw/zinc/89/67/48/344896748.db2.gz UZGIXGKDVRZTPJ-ZJUUUORDSA-N 1 1 169.268 1.650 10 30 ADEEMO CC[C@H]1CCC[N@H+]([C@H](C)C(N)=NO)C1 252449028 344897406 /nfs/dbraw/zinc/89/74/06/344897406.db2.gz HYGVJTNHDIPEIR-BDAKNGLRSA-N 1 1 199.298 1.243 10 30 ADEEMO C[C@H](CC#N)[N@@H+](C)[C@H]1CCCC[C@H]1O 252452098 344897443 /nfs/dbraw/zinc/89/74/43/344897443.db2.gz OTSSVRKEPARWQZ-OUAUKWLOSA-N 1 1 196.294 1.524 10 30 ADEEMO CC[C@@H]1CCC[N@H+]([C@H](C)C(N)=NO)C1 252449029 344897521 /nfs/dbraw/zinc/89/75/21/344897521.db2.gz HYGVJTNHDIPEIR-RKDXNWHRSA-N 1 1 199.298 1.243 10 30 ADEEMO C#CCCN1CCC[N@H+]2CCC[C@H]2C1 252453391 344898218 /nfs/dbraw/zinc/89/82/18/344898218.db2.gz ISEZDHXLWHRNHN-LBPRGKRZSA-N 1 1 192.306 1.180 10 30 ADEEMO C[C@@H]1C[N@H+](CCCC#N)C[C@H]1N(C)C 252493344 344900151 /nfs/dbraw/zinc/90/01/51/344900151.db2.gz ONZPVDCSLGDEAK-GHMZBOCLSA-N 1 1 195.310 1.172 10 30 ADEEMO C[C@@H]1C[N@@H+](CCCC#N)C[C@H]1N(C)C 252493344 344900152 /nfs/dbraw/zinc/90/01/52/344900152.db2.gz ONZPVDCSLGDEAK-GHMZBOCLSA-N 1 1 195.310 1.172 10 30 ADEEMO C[C@H]1C[N@H+](CCCC#N)C[C@H]1N(C)C 252493345 344900405 /nfs/dbraw/zinc/90/04/05/344900405.db2.gz ONZPVDCSLGDEAK-WDEREUQCSA-N 1 1 195.310 1.172 10 30 ADEEMO C[C@H]1C[N@@H+](CCCC#N)C[C@H]1N(C)C 252493345 344900406 /nfs/dbraw/zinc/90/04/06/344900406.db2.gz ONZPVDCSLGDEAK-WDEREUQCSA-N 1 1 195.310 1.172 10 30 ADEEMO CC[N@H+]1CCC[C@](O)([C@H](C)C#N)CC1 252540265 344900493 /nfs/dbraw/zinc/90/04/93/344900493.db2.gz CJSKUSLPYWIKQR-GHMZBOCLSA-N 1 1 196.294 1.383 10 30 ADEEMO CC[N@H+]1CCC[C@@](O)([C@H](C)C#N)CC1 252540266 344900741 /nfs/dbraw/zinc/90/07/41/344900741.db2.gz CJSKUSLPYWIKQR-MNOVXSKESA-N 1 1 196.294 1.383 10 30 ADEEMO C[C@H](C#N)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C 252649487 344906105 /nfs/dbraw/zinc/90/61/05/344906105.db2.gz XBJGHIAEXOFQBZ-MXWKQRLJSA-N 1 1 193.294 1.067 10 30 ADEEMO C[C@@H](C#N)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C 252649486 344906130 /nfs/dbraw/zinc/90/61/30/344906130.db2.gz XBJGHIAEXOFQBZ-AXFHLTTASA-N 1 1 193.294 1.067 10 30 ADEEMO CC(C)[N@H+]1CCCC(=NO)CC1 252681844 344907617 /nfs/dbraw/zinc/90/76/17/344907617.db2.gz JARIIXNMRNXOLO-UHFFFAOYSA-N 1 1 170.256 1.711 10 30 ADEEMO CC1=[NH+]C(=NO)C[C@H]2CCCN12 252675231 344907624 /nfs/dbraw/zinc/90/76/24/344907624.db2.gz YUBHEUZQMFZNSJ-SSDOTTSWSA-N 1 1 167.212 1.061 10 30 ADEEMO CCC[N@H+]1CCCC(=NO)CC1 252680607 344907749 /nfs/dbraw/zinc/90/77/49/344907749.db2.gz BRILXNQRSRXXPL-UHFFFAOYSA-N 1 1 170.256 1.713 10 30 ADEEMO C=CCN1CCC[N@H+]2CCC[C@H]2C1 252668462 344907808 /nfs/dbraw/zinc/90/78/08/344907808.db2.gz XIYJWWLJNRMTFF-NSHDSACASA-N 1 1 180.295 1.343 10 30 ADEEMO CC[N@H+]1CCCC(=NO)CC1 252681017 344907885 /nfs/dbraw/zinc/90/78/85/344907885.db2.gz FLNKXUZPBNIZOX-UHFFFAOYSA-N 1 1 156.229 1.322 10 30 ADEEMO C#CCCCN1CC[N@H+]2CCC[C@H]2C1 252727830 344910510 /nfs/dbraw/zinc/91/05/10/344910510.db2.gz QJGVWWZKBDJGCR-LBPRGKRZSA-N 1 1 192.306 1.180 10 30 ADEEMO CC[N@H+](C[C@H](C)C#N)C[C@H](C)CO 252727586 344910768 /nfs/dbraw/zinc/91/07/68/344910768.db2.gz JNCBGGYNWWFHHD-ZJUUUORDSA-N 1 1 184.283 1.096 10 30 ADEEMO CC#CCN[C@@H]1CC[N@H+](CC)[C@H](C)C1 252729115 344910785 /nfs/dbraw/zinc/91/07/85/344910785.db2.gz FEMUDFSJKBKUCR-VXGBXAGGSA-N 1 1 194.322 1.472 10 30 ADEEMO CC#CC[NH2+][C@@H]1CCN(CC)[C@H](C)C1 252729115 344910791 /nfs/dbraw/zinc/91/07/91/344910791.db2.gz FEMUDFSJKBKUCR-VXGBXAGGSA-N 1 1 194.322 1.472 10 30 ADEEMO CC#CCN[C@H]1CC[N@H+](CC)[C@H](C)C1 252729114 344910923 /nfs/dbraw/zinc/91/09/23/344910923.db2.gz FEMUDFSJKBKUCR-NEPJUHHUSA-N 1 1 194.322 1.472 10 30 ADEEMO CC#CC[NH2+][C@H]1CCN(CC)[C@H](C)C1 252729114 344910932 /nfs/dbraw/zinc/91/09/32/344910932.db2.gz FEMUDFSJKBKUCR-NEPJUHHUSA-N 1 1 194.322 1.472 10 30 ADEEMO CC#CCN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C 252728807 344910978 /nfs/dbraw/zinc/91/09/78/344910978.db2.gz CWSHGBCNYWZLNZ-GRYCIOLGSA-N 1 1 194.322 1.328 10 30 ADEEMO CC#CC[NH2+][C@@H]1C[C@H](C)N(C)C[C@H]1C 252728807 344910983 /nfs/dbraw/zinc/91/09/83/344910983.db2.gz CWSHGBCNYWZLNZ-GRYCIOLGSA-N 1 1 194.322 1.328 10 30 ADEEMO CC#CCN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C 252728808 344911018 /nfs/dbraw/zinc/91/10/18/344911018.db2.gz CWSHGBCNYWZLNZ-IJLUTSLNSA-N 1 1 194.322 1.328 10 30 ADEEMO CC#CC[NH2+][C@@H]1C[C@@H](C)N(C)C[C@H]1C 252728808 344911026 /nfs/dbraw/zinc/91/10/26/344911026.db2.gz CWSHGBCNYWZLNZ-IJLUTSLNSA-N 1 1 194.322 1.328 10 30 ADEEMO C[C@@H]1OCC[C@H]1[N@@H+](C)[C@H](C)CC#N 252738929 344911374 /nfs/dbraw/zinc/91/13/74/344911374.db2.gz FBLJXTSHQXIMEE-KXUCPTDWSA-N 1 1 182.267 1.398 10 30 ADEEMO C[C@@H]1OCC[C@H]1[N@H+](C)[C@H](C)CC#N 252738929 344911375 /nfs/dbraw/zinc/91/13/75/344911375.db2.gz FBLJXTSHQXIMEE-KXUCPTDWSA-N 1 1 182.267 1.398 10 30 ADEEMO C[C@@H]1OCC[C@@H]1[N@@H+](C)[C@H](C)CC#N 252738931 344911385 /nfs/dbraw/zinc/91/13/85/344911385.db2.gz FBLJXTSHQXIMEE-UTLUCORTSA-N 1 1 182.267 1.398 10 30 ADEEMO C[C@@H]1OCC[C@@H]1[N@H+](C)[C@H](C)CC#N 252738931 344911387 /nfs/dbraw/zinc/91/13/87/344911387.db2.gz FBLJXTSHQXIMEE-UTLUCORTSA-N 1 1 182.267 1.398 10 30 ADEEMO CSCC[N@@H+](C)[C@H]1CCC[C@H]1C#N 252766747 344912992 /nfs/dbraw/zinc/91/29/92/344912992.db2.gz JFAMWXINTIUIAO-UWVGGRQHSA-N 1 1 198.335 1.973 10 30 ADEEMO C#CCCCN1CC[C@@H](C)[C@H]([NH3+])C1 252774767 344913010 /nfs/dbraw/zinc/91/30/10/344913010.db2.gz WVRHPIIVRUEUTO-GHMZBOCLSA-N 1 1 180.295 1.069 10 30 ADEEMO CSCC[N@@H+](C)[C@@H]1CCC[C@H]1C#N 252766749 344913151 /nfs/dbraw/zinc/91/31/51/344913151.db2.gz JFAMWXINTIUIAO-VHSXEESVSA-N 1 1 198.335 1.973 10 30 ADEEMO C[C@H](CO)[N@@H+](C)[C@@H]1CCCC[C@H]1C#N 252818015 344915040 /nfs/dbraw/zinc/91/50/40/344915040.db2.gz YXZWCPOZUOHPRV-OUAUKWLOSA-N 1 1 196.294 1.381 10 30 ADEEMO C[C@H](CO)[N@@H+](C)[C@H]1CCCC[C@H]1C#N 252818016 344915097 /nfs/dbraw/zinc/91/50/97/344915097.db2.gz YXZWCPOZUOHPRV-VWYCJHECSA-N 1 1 196.294 1.381 10 30 ADEEMO C[C@H](CO)[N@@H+](C)[C@H]1CCCC[C@@H]1C#N 252818014 344915200 /nfs/dbraw/zinc/91/52/00/344915200.db2.gz YXZWCPOZUOHPRV-MXWKQRLJSA-N 1 1 196.294 1.381 10 30 ADEEMO CC#CCC[N@@H+]1C[C@H](C)NC[C@H]1C 252829740 344915426 /nfs/dbraw/zinc/91/54/26/344915426.db2.gz KQNRZUQXLAYQJR-WDEREUQCSA-N 1 1 180.295 1.082 10 30 ADEEMO CC#CCC[N@H+]1C[C@H](C)NC[C@H]1C 252829740 344915427 /nfs/dbraw/zinc/91/54/27/344915427.db2.gz KQNRZUQXLAYQJR-WDEREUQCSA-N 1 1 180.295 1.082 10 30 ADEEMO CC(C)(C)[C@@H]1CC[N@@H+](C[C@H]2CO2)C1 252859102 344916914 /nfs/dbraw/zinc/91/69/14/344916914.db2.gz MGEYQWUQMKQFJB-ZJUUUORDSA-N 1 1 183.295 1.753 10 30 ADEEMO CC(C)(C)[C@H]1CC[N@@H+](C[C@H]2CO2)C1 252859100 344916987 /nfs/dbraw/zinc/91/69/87/344916987.db2.gz MGEYQWUQMKQFJB-UWVGGRQHSA-N 1 1 183.295 1.753 10 30 ADEEMO CC[C@H]1CC[N@@H+](C[C@H]2CO2)C1 252867512 344917256 /nfs/dbraw/zinc/91/72/56/344917256.db2.gz QZLZSWKKVATELK-IUCAKERBSA-N 1 1 155.241 1.117 10 30 ADEEMO CC(C)[C@@H]1CC[N@@H+](C[C@H]2CO2)C1 252870514 344917368 /nfs/dbraw/zinc/91/73/68/344917368.db2.gz SKXPQLXCWNWKOO-ZJUUUORDSA-N 1 1 169.268 1.363 10 30 ADEEMO CC[C@H]1CC[N@@H+](C[C@H](C)C#N)C1 252870222 344917446 /nfs/dbraw/zinc/91/74/46/344917446.db2.gz SGQPGQRXZCWXQN-ZJUUUORDSA-N 1 1 166.268 1.878 10 30 ADEEMO CC[C@@H]1CC[N@@H+](C[C@H]2CO2)C1 252867511 344917476 /nfs/dbraw/zinc/91/74/76/344917476.db2.gz QZLZSWKKVATELK-BDAKNGLRSA-N 1 1 155.241 1.117 10 30 ADEEMO C[C@H](CC#N)N[C@@H]1CC[N@@H+](C)C[C@H]1C 252895404 344918275 /nfs/dbraw/zinc/91/82/75/344918275.db2.gz YPUHBLRWQCXZPI-GMTAPVOTSA-N 1 1 195.310 1.218 10 30 ADEEMO C[C@H](CC#N)N[C@H]1CC[N@@H+](C)C[C@H]1C 252895405 344918440 /nfs/dbraw/zinc/91/84/40/344918440.db2.gz YPUHBLRWQCXZPI-MXWKQRLJSA-N 1 1 195.310 1.218 10 30 ADEEMO C#CC[C@H](C)[N@H+]1C[C@H](C)NC[C@H]1C 252930369 344919132 /nfs/dbraw/zinc/91/91/32/344919132.db2.gz AKMYQBSDZHDUSN-GARJFASQSA-N 1 1 180.295 1.080 10 30 ADEEMO C#CC[C@H](C)N1C[C@H](C)[NH2+]C[C@H]1C 252930369 344919134 /nfs/dbraw/zinc/91/91/34/344919134.db2.gz AKMYQBSDZHDUSN-GARJFASQSA-N 1 1 180.295 1.080 10 30 ADEEMO C#CC[C@@H](C)[N@@H+]1CCNC[C@H]1C(C)C 252930221 344919282 /nfs/dbraw/zinc/91/92/82/344919282.db2.gz AHSCTVAWWLUMGP-NEPJUHHUSA-N 1 1 194.322 1.328 10 30 ADEEMO C#CC[C@@H](C)N1CC[NH2+]C[C@H]1C(C)C 252930221 344919284 /nfs/dbraw/zinc/91/92/84/344919284.db2.gz AHSCTVAWWLUMGP-NEPJUHHUSA-N 1 1 194.322 1.328 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CCNC[C@H]1C 252914522 344919296 /nfs/dbraw/zinc/91/92/96/344919296.db2.gz RIWUNIKNPXOHAP-NXEZZACHSA-N 1 1 168.284 1.245 10 30 ADEEMO C=CC[C@@H](C)N1CC[NH2+]C[C@H]1C 252914522 344919298 /nfs/dbraw/zinc/91/92/98/344919298.db2.gz RIWUNIKNPXOHAP-NXEZZACHSA-N 1 1 168.284 1.245 10 30 ADEEMO C#CC[C@H](C)[N@H+]1C[C@H](C)NC[C@@H]1C 252930367 344919366 /nfs/dbraw/zinc/91/93/66/344919366.db2.gz AKMYQBSDZHDUSN-DCAQKATOSA-N 1 1 180.295 1.080 10 30 ADEEMO C#CC[C@H](C)N1C[C@H](C)[NH2+]C[C@@H]1C 252930367 344919367 /nfs/dbraw/zinc/91/93/67/344919367.db2.gz AKMYQBSDZHDUSN-DCAQKATOSA-N 1 1 180.295 1.080 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CCC(=O)[C@H](C)C1 252912810 344919411 /nfs/dbraw/zinc/91/94/11/344919411.db2.gz LRUBCVWJGUPWLT-NXEZZACHSA-N 1 1 181.279 1.862 10 30 ADEEMO C#CC[C@H](C)[N@H+]1C[C@@H](C)NC[C@H]1C 252930371 344919481 /nfs/dbraw/zinc/91/94/81/344919481.db2.gz AKMYQBSDZHDUSN-OUAUKWLOSA-N 1 1 180.295 1.080 10 30 ADEEMO C#CC[C@H](C)N1C[C@@H](C)[NH2+]C[C@H]1C 252930371 344919482 /nfs/dbraw/zinc/91/94/82/344919482.db2.gz AKMYQBSDZHDUSN-OUAUKWLOSA-N 1 1 180.295 1.080 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCN[C@](C)(CC)C1 252932966 344919826 /nfs/dbraw/zinc/91/98/26/344919826.db2.gz CMLGRJPJFBMWPI-GHMZBOCLSA-N 1 1 182.311 1.635 10 30 ADEEMO C=C[C@@H](C)[N@@H+]1CCN[C@](C)(CC)C1 252932966 344919827 /nfs/dbraw/zinc/91/98/27/344919827.db2.gz CMLGRJPJFBMWPI-GHMZBOCLSA-N 1 1 182.311 1.635 10 30 ADEEMO C#C[C@@H](C)N(C)C1C[C@@H]2CC[C@H](C1)[NH2+]2 252934418 344919881 /nfs/dbraw/zinc/91/98/81/344919881.db2.gz DPRTZRISZDXRIO-YIBTVLSRSA-N 1 1 192.306 1.223 10 30 ADEEMO C[N@@H+](CCS)[C@@H]1CCCC[C@H]1O 252933600 344919907 /nfs/dbraw/zinc/91/99/07/344919907.db2.gz VXMPUJHFTIEDNX-RKDXNWHRSA-N 1 1 189.324 1.152 10 30 ADEEMO C#CC[C@H](C)N1CC[C@@H]([NH2+]C)[C@H](C)C1 252932129 344919910 /nfs/dbraw/zinc/91/99/10/344919910.db2.gz BVEYULQGMDQTNL-GRYCIOLGSA-N 1 1 194.322 1.328 10 30 ADEEMO C[N@@H+](CCS)[C@H]1CCCC[C@H]1O 252933599 344920006 /nfs/dbraw/zinc/92/00/06/344920006.db2.gz VXMPUJHFTIEDNX-DTWKUNHWSA-N 1 1 189.324 1.152 10 30 ADEEMO C#C[C@H](C)N(C)C1C[C@@H]2CC[C@H](C1)[NH2+]2 252934416 344920013 /nfs/dbraw/zinc/92/00/13/344920013.db2.gz DPRTZRISZDXRIO-WSMDXJOWSA-N 1 1 192.306 1.223 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCNC[C@H]1C(C)C 252936935 344920024 /nfs/dbraw/zinc/92/00/24/344920024.db2.gz GKYAGFSHYVQCJM-MNOVXSKESA-N 1 1 182.311 1.491 10 30 ADEEMO C=C[C@@H](C)[N@@H+]1CCNC[C@H]1C(C)C 252936935 344920026 /nfs/dbraw/zinc/92/00/26/344920026.db2.gz GKYAGFSHYVQCJM-MNOVXSKESA-N 1 1 182.311 1.491 10 30 ADEEMO C=C[C@H](C)N1CC[C@H]([NH2+]C)[C@H](C)[C@@H]1C 252935354 344920052 /nfs/dbraw/zinc/92/00/52/344920052.db2.gz FISVUNBUVBJBNZ-USZNOCQGSA-N 1 1 196.338 1.879 10 30 ADEEMO C=C[C@H](C)[N@H+]1C[C@@H](CC)NC[C@H]1C 252934429 344920087 /nfs/dbraw/zinc/92/00/87/344920087.db2.gz DQFAZCDDEUTGGM-HBNTYKKESA-N 1 1 182.311 1.633 10 30 ADEEMO C=C[C@H](C)[N@@H+]1C[C@@H](CC)NC[C@H]1C 252934429 344920089 /nfs/dbraw/zinc/92/00/89/344920089.db2.gz DQFAZCDDEUTGGM-HBNTYKKESA-N 1 1 182.311 1.633 10 30 ADEEMO C=C[C@H](C)N1CC[C@H]([NH2+]C)[C@H](C)[C@H]1C 252935353 344920095 /nfs/dbraw/zinc/92/00/95/344920095.db2.gz FISVUNBUVBJBNZ-QCNOEVLYSA-N 1 1 196.338 1.879 10 30 ADEEMO C=C[C@H](C)N1CC[C@H]([NH2+]C)[C@@H](C)[C@H]1C 252935355 344920135 /nfs/dbraw/zinc/92/01/35/344920135.db2.gz FISVUNBUVBJBNZ-YFKTTZPYSA-N 1 1 196.338 1.879 10 30 ADEEMO C=C[C@H](C)[N@@H+]1CC(C)(C)NC[C@H]1C 252941195 344920489 /nfs/dbraw/zinc/92/04/89/344920489.db2.gz JBTJDFRMMHSTRL-VHSXEESVSA-N 1 1 182.311 1.633 10 30 ADEEMO C=C[C@H](C)[N@H+]1CC(C)(C)NC[C@H]1C 252941195 344920491 /nfs/dbraw/zinc/92/04/91/344920491.db2.gz JBTJDFRMMHSTRL-VHSXEESVSA-N 1 1 182.311 1.633 10 30 ADEEMO C#C[C@H](CC)N1CC[C@H]([NH3+])[C@H](C)C1 252941841 344920509 /nfs/dbraw/zinc/92/05/09/344920509.db2.gz JLGLRMBOAGXFKU-MXWKQRLJSA-N 1 1 180.295 1.067 10 30 ADEEMO C#C[C@H](CC)N1CC[C@@H]([NH3+])[C@H](C)C1 252941840 344920534 /nfs/dbraw/zinc/92/05/34/344920534.db2.gz JLGLRMBOAGXFKU-GMTAPVOTSA-N 1 1 180.295 1.067 10 30 ADEEMO C=C[C@@H](C)[N@@H+]1CC(C)(C)NC[C@H]1C 252941194 344920568 /nfs/dbraw/zinc/92/05/68/344920568.db2.gz JBTJDFRMMHSTRL-NXEZZACHSA-N 1 1 182.311 1.633 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CC(C)(C)NC[C@H]1C 252941194 344920573 /nfs/dbraw/zinc/92/05/73/344920573.db2.gz JBTJDFRMMHSTRL-NXEZZACHSA-N 1 1 182.311 1.633 10 30 ADEEMO C#CC[C@@H](C)[N@H+]1CCN[C@H](C(C)C)C1 252943614 344920659 /nfs/dbraw/zinc/92/06/59/344920659.db2.gz KQLQLOWTNJKWEC-NEPJUHHUSA-N 1 1 194.322 1.328 10 30 ADEEMO C#CC[C@@H](C)[N@@H+]1CCN[C@H](C(C)C)C1 252943614 344920662 /nfs/dbraw/zinc/92/06/62/344920662.db2.gz KQLQLOWTNJKWEC-NEPJUHHUSA-N 1 1 194.322 1.328 10 30 ADEEMO C=C[C@H](C)[N@@H+]1CCC(=O)C[C@H]1C 252942241 344920687 /nfs/dbraw/zinc/92/06/87/344920687.db2.gz JQWVIDKUKIRXMT-DTWKUNHWSA-N 1 1 167.252 1.614 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCC(=O)C[C@H]1C 252942241 344920691 /nfs/dbraw/zinc/92/06/91/344920691.db2.gz JQWVIDKUKIRXMT-DTWKUNHWSA-N 1 1 167.252 1.614 10 30 ADEEMO C=C[C@@H](C)[N@@H+]1CCC(=O)C[C@H]1C 252942245 344920732 /nfs/dbraw/zinc/92/07/32/344920732.db2.gz JQWVIDKUKIRXMT-RKDXNWHRSA-N 1 1 167.252 1.614 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCC(=O)C[C@H]1C 252942245 344920733 /nfs/dbraw/zinc/92/07/33/344920733.db2.gz JQWVIDKUKIRXMT-RKDXNWHRSA-N 1 1 167.252 1.614 10 30 ADEEMO C#C[C@H](CC)N1CC[C@H]([NH3+])[C@@H](C)C1 252941839 344920777 /nfs/dbraw/zinc/92/07/77/344920777.db2.gz JLGLRMBOAGXFKU-AXFHLTTASA-N 1 1 180.295 1.067 10 30 ADEEMO C#CC[C@@H](C)[N@@H+]1CCNC[C@H]1CC 252939804 344920795 /nfs/dbraw/zinc/92/07/95/344920795.db2.gz IHJNZMPPAITFEM-GHMZBOCLSA-N 1 1 180.295 1.082 10 30 ADEEMO C#CC[C@@H](C)N1CC[NH2+]C[C@H]1CC 252939804 344920796 /nfs/dbraw/zinc/92/07/96/344920796.db2.gz IHJNZMPPAITFEM-GHMZBOCLSA-N 1 1 180.295 1.082 10 30 ADEEMO C#C[C@H](C)N1CC[C@@H]([NH3+])[C@H](CC)C1 252949758 344921146 /nfs/dbraw/zinc/92/11/46/344921146.db2.gz OEZYSXFKDAEUOC-HBNTYKKESA-N 1 1 180.295 1.067 10 30 ADEEMO C#C[C@H](CC)[NH+]1C[C@@H](C)N[C@H](C)C1 252946753 344921064 /nfs/dbraw/zinc/92/10/64/344921064.db2.gz MTDOVVQYYPNGKE-GMTAPVOTSA-N 1 1 180.295 1.080 10 30 ADEEMO C#CC[C@@H](C)[N@H+]1CCC(=O)C[C@H]1C 252952041 344921789 /nfs/dbraw/zinc/92/17/89/344921789.db2.gz PNDINJUNDKNVBP-NXEZZACHSA-N 1 1 179.263 1.452 10 30 ADEEMO C=C[C@H](C)[N@@H+]1CCC(=O)[C@H](C)C1 252953732 344921833 /nfs/dbraw/zinc/92/18/33/344921833.db2.gz QHNULNVIKTZNSY-BDAKNGLRSA-N 1 1 167.252 1.472 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCC(=O)[C@H](C)C1 252953732 344921834 /nfs/dbraw/zinc/92/18/34/344921834.db2.gz QHNULNVIKTZNSY-BDAKNGLRSA-N 1 1 167.252 1.472 10 30 ADEEMO C#CC[C@H](C)[N@H+]1CCC(=O)C[C@H]1C 252952043 344921837 /nfs/dbraw/zinc/92/18/37/344921837.db2.gz PNDINJUNDKNVBP-VHSXEESVSA-N 1 1 179.263 1.452 10 30 ADEEMO C#C[C@H](CC)[N@@H+]1C[C@H](C)NC[C@H]1C 252953696 344921871 /nfs/dbraw/zinc/92/18/71/344921871.db2.gz QGGRMCIOGUKYQG-HBNTYKKESA-N 1 1 180.295 1.080 10 30 ADEEMO C#C[C@H](CC)[N@H+]1C[C@H](C)NC[C@H]1C 252953696 344921872 /nfs/dbraw/zinc/92/18/72/344921872.db2.gz QGGRMCIOGUKYQG-HBNTYKKESA-N 1 1 180.295 1.080 10 30 ADEEMO C#C[C@H](CC)[N@@H+]1C[C@@H](C)NC[C@H]1C 252953695 344921921 /nfs/dbraw/zinc/92/19/21/344921921.db2.gz QGGRMCIOGUKYQG-GMTAPVOTSA-N 1 1 180.295 1.080 10 30 ADEEMO C#C[C@H](CC)[N@H+]1C[C@@H](C)NC[C@H]1C 252953695 344921924 /nfs/dbraw/zinc/92/19/24/344921924.db2.gz QGGRMCIOGUKYQG-GMTAPVOTSA-N 1 1 180.295 1.080 10 30 ADEEMO C=C[C@@H](C)[N@@H+]1CCC(=O)[C@H](C)C1 252953733 344921994 /nfs/dbraw/zinc/92/19/94/344921994.db2.gz QHNULNVIKTZNSY-RKDXNWHRSA-N 1 1 167.252 1.472 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCC(=O)[C@H](C)C1 252953733 344921997 /nfs/dbraw/zinc/92/19/97/344921997.db2.gz QHNULNVIKTZNSY-RKDXNWHRSA-N 1 1 167.252 1.472 10 30 ADEEMO C#CC[C@H](C)[N@@H+]1CCCN[C@H](C)C1 252959491 344922325 /nfs/dbraw/zinc/92/23/25/344922325.db2.gz UFATYBKTIRHTDX-MNOVXSKESA-N 1 1 180.295 1.082 10 30 ADEEMO C#CC[C@H](C)[N@H+]1CCCN[C@H](C)C1 252959491 344922326 /nfs/dbraw/zinc/92/23/26/344922326.db2.gz UFATYBKTIRHTDX-MNOVXSKESA-N 1 1 180.295 1.082 10 30 ADEEMO C#CC[C@H](C)N1CCC[NH2+][C@H](C)C1 252959491 344922328 /nfs/dbraw/zinc/92/23/28/344922328.db2.gz UFATYBKTIRHTDX-MNOVXSKESA-N 1 1 180.295 1.082 10 30 ADEEMO CC#CCN1CC[C@H]([NH3+])[C@H](C)[C@H]1C 252959351 344922420 /nfs/dbraw/zinc/92/24/20/344922420.db2.gz MAXRCJUEQDQGKI-MXWKQRLJSA-N 1 1 180.295 1.067 10 30 ADEEMO C#CC[C@@H](C)[N@@H+]1CCCN[C@H](C)C1 252959490 344922512 /nfs/dbraw/zinc/92/25/12/344922512.db2.gz UFATYBKTIRHTDX-GHMZBOCLSA-N 1 1 180.295 1.082 10 30 ADEEMO C#CC[C@@H](C)[N@H+]1CCCN[C@H](C)C1 252959490 344922517 /nfs/dbraw/zinc/92/25/17/344922517.db2.gz UFATYBKTIRHTDX-GHMZBOCLSA-N 1 1 180.295 1.082 10 30 ADEEMO C#CC[C@@H](C)N1CCC[NH2+][C@H](C)C1 252959490 344922518 /nfs/dbraw/zinc/92/25/18/344922518.db2.gz UFATYBKTIRHTDX-GHMZBOCLSA-N 1 1 180.295 1.082 10 30 ADEEMO CC#CCN1CC[C@H]([NH3+])[C@@H](C)[C@H]1C 252959350 344922615 /nfs/dbraw/zinc/92/26/15/344922615.db2.gz MAXRCJUEQDQGKI-AXFHLTTASA-N 1 1 180.295 1.067 10 30 ADEEMO C#C[C@H](C)[N@H+]1[C@@H](C)CCC[C@H]1CN 252965769 344922902 /nfs/dbraw/zinc/92/29/02/344922902.db2.gz XFMUCQUIKSDTDW-DCAQKATOSA-N 1 1 180.295 1.210 10 30 ADEEMO C#C[C@H](C)[N@@H+]1[C@@H](C)CCC[C@H]1CN 252965769 344922901 /nfs/dbraw/zinc/92/29/01/344922901.db2.gz XFMUCQUIKSDTDW-DCAQKATOSA-N 1 1 180.295 1.210 10 30 ADEEMO C#CC[C@@H](CC)[N@H+]1CCNC[C@H]1C 252962215 344922968 /nfs/dbraw/zinc/92/29/68/344922968.db2.gz VQZURRKRPFZGSD-GHMZBOCLSA-N 1 1 180.295 1.082 10 30 ADEEMO C#CC[C@@H](CC)N1CC[NH2+]C[C@H]1C 252962215 344922970 /nfs/dbraw/zinc/92/29/70/344922970.db2.gz VQZURRKRPFZGSD-GHMZBOCLSA-N 1 1 180.295 1.082 10 30 ADEEMO C#C[C@H](C)[N@@H+]1[C@H](C)CCC[C@@H]1CN 252965770 344922976 /nfs/dbraw/zinc/92/29/76/344922976.db2.gz XFMUCQUIKSDTDW-HBNTYKKESA-N 1 1 180.295 1.210 10 30 ADEEMO C#C[C@H](C)[N@H+]1[C@H](C)CCC[C@@H]1CN 252965770 344922977 /nfs/dbraw/zinc/92/29/77/344922977.db2.gz XFMUCQUIKSDTDW-HBNTYKKESA-N 1 1 180.295 1.210 10 30 ADEEMO C=C[C@@H](C)N1CCC[NH2+][C@H](C)C1 252962472 344923058 /nfs/dbraw/zinc/92/30/58/344923058.db2.gz VSTJWIJGCNOPAA-NXEZZACHSA-N 1 1 168.284 1.245 10 30 ADEEMO C#C[C@H](C)[N@H+]1[C@H](CN)CCC[C@H]1C 252965767 344923133 /nfs/dbraw/zinc/92/31/33/344923133.db2.gz XFMUCQUIKSDTDW-AXFHLTTASA-N 1 1 180.295 1.210 10 30 ADEEMO C#C[C@H](C)[N@@H+]1[C@H](CN)CCC[C@H]1C 252965767 344923134 /nfs/dbraw/zinc/92/31/34/344923134.db2.gz XFMUCQUIKSDTDW-AXFHLTTASA-N 1 1 180.295 1.210 10 30 ADEEMO C#CC[C@@H](CC)[N@H+]1CCC(=O)C[C@H]1C 252963534 344923148 /nfs/dbraw/zinc/92/31/48/344923148.db2.gz WGXYVKIZBMFQJS-GHMZBOCLSA-N 1 1 193.290 1.842 10 30 ADEEMO C#CC[C@H](CC)[N@H+]1CCC(=O)C[C@H]1C 252963535 344923228 /nfs/dbraw/zinc/92/32/28/344923228.db2.gz WGXYVKIZBMFQJS-MNOVXSKESA-N 1 1 193.290 1.842 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCC(=O)[C@H](C)[C@@H]1C 252971141 344923390 /nfs/dbraw/zinc/92/33/90/344923390.db2.gz ZXXJOBSCSYFCQV-AEJSXWLSSA-N 1 1 181.279 1.860 10 30 ADEEMO C#CC[C@@H](C)[N@H+]1CCC(=O)[C@H](C)C1 252969511 344923511 /nfs/dbraw/zinc/92/35/11/344923511.db2.gz ZEMINVIXUCXGKE-NXEZZACHSA-N 1 1 179.263 1.309 10 30 ADEEMO C#CC[C@H](C)[N@H+]1CCC(=O)[C@H](C)C1 252969512 344923549 /nfs/dbraw/zinc/92/35/49/344923549.db2.gz ZEMINVIXUCXGKE-ZJUUUORDSA-N 1 1 179.263 1.309 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCC(=O)[C@H](C)[C@H]1C 252971143 344923588 /nfs/dbraw/zinc/92/35/88/344923588.db2.gz ZXXJOBSCSYFCQV-IVZWLZJFSA-N 1 1 181.279 1.860 10 30 ADEEMO C[C@H](C#N)C[N@@H+]1CCS[C@H](C)C1 252980785 344923887 /nfs/dbraw/zinc/92/38/87/344923887.db2.gz OCFKPIMVPGDOHL-RKDXNWHRSA-N 1 1 184.308 1.583 10 30 ADEEMO C[C@H](C#N)C[N@H+]1CCS[C@H](C)C1 252980785 344923891 /nfs/dbraw/zinc/92/38/91/344923891.db2.gz OCFKPIMVPGDOHL-RKDXNWHRSA-N 1 1 184.308 1.583 10 30 ADEEMO C[C@H](O)CC[N@@H+](C)[C@H]1CCC[C@H]1C#N 253038103 344924580 /nfs/dbraw/zinc/92/45/80/344924580.db2.gz YVLRPFHXTWFDFX-DCAQKATOSA-N 1 1 196.294 1.381 10 30 ADEEMO C[C@H](O)CC[N@@H+](C)[C@@H]1CCC[C@H]1C#N 253038104 344924608 /nfs/dbraw/zinc/92/46/08/344924608.db2.gz YVLRPFHXTWFDFX-GARJFASQSA-N 1 1 196.294 1.381 10 30 ADEEMO C[C@H](O)CC[N@@H+](C)[C@H]1CCC[C@@H]1C#N 253038102 344924685 /nfs/dbraw/zinc/92/46/85/344924685.db2.gz YVLRPFHXTWFDFX-AXFHLTTASA-N 1 1 196.294 1.381 10 30 ADEEMO C[C@H]1CC[N@@H+](CCC=O)C[C@H]1C 253056723 344925196 /nfs/dbraw/zinc/92/51/96/344925196.db2.gz AVSBNDAEILJDDW-VHSXEESVSA-N 1 1 169.268 1.553 10 30 ADEEMO C[C@@H]1C[N@H+](CC=O)CC[C@H]1C 253060132 344925718 /nfs/dbraw/zinc/92/57/18/344925718.db2.gz CWHKSBTZBJECPT-RKDXNWHRSA-N 1 1 155.241 1.163 10 30 ADEEMO C[C@@H]1C[C@@H](C)[N@@H+](C[C@H]2CO2)C1 253058802 344925974 /nfs/dbraw/zinc/92/59/74/344925974.db2.gz BUBPHODTVGYVTB-HLTSFMKQSA-N 1 1 155.241 1.116 10 30 ADEEMO C[C@@H]1SCC[N@@H+](C[C@H]2CO2)[C@H]1C 253071602 344926016 /nfs/dbraw/zinc/92/60/16/344926016.db2.gz NIQMRXBUSOOOCA-CIUDSAMLSA-N 1 1 187.308 1.211 10 30 ADEEMO C[C@H]1CC[N@@H+](CCS)C[C@H]1C 253078217 344926415 /nfs/dbraw/zinc/92/64/15/344926415.db2.gz SUIFVVMZCTXKMX-DTWKUNHWSA-N 1 1 173.325 1.894 10 30 ADEEMO C[C@H]1C[C@@H](C)C[N@@H+]1C[C@H]1CO1 253058803 344926071 /nfs/dbraw/zinc/92/60/71/344926071.db2.gz BUBPHODTVGYVTB-VGMNWLOBSA-N 1 1 155.241 1.116 10 30 ADEEMO C[C@@H]1CC[N@@H+](C[C@H]2CO2)C[C@@H]1C 253078674 344926407 /nfs/dbraw/zinc/92/64/07/344926407.db2.gz TYFJYXOHAABSOU-UTLUCORTSA-N 1 1 169.268 1.363 10 30 ADEEMO C[C@@H]1C[N@H+](C[C@@H]2CO2)CC[C@H]1C 253078673 344926422 /nfs/dbraw/zinc/92/64/22/344926422.db2.gz TYFJYXOHAABSOU-OPRDCNLKSA-N 1 1 169.268 1.363 10 30 ADEEMO C[C@@H]1C[N@H+](C[C@H]2CO2)CC[C@H]1C 253078672 344926544 /nfs/dbraw/zinc/92/65/44/344926544.db2.gz TYFJYXOHAABSOU-BBBLOLIVSA-N 1 1 169.268 1.363 10 30 ADEEMO C[C@@H]1C[N@H+](CCS)CC[C@H]1C 253078218 344926599 /nfs/dbraw/zinc/92/65/99/344926599.db2.gz SUIFVVMZCTXKMX-RKDXNWHRSA-N 1 1 173.325 1.894 10 30 ADEEMO C[C@H]1C[C@@H](C)C[N@H+](C[C@H]2CO2)[C@@H]1C 253114163 344927107 /nfs/dbraw/zinc/92/71/07/344927107.db2.gz ZKQUTWLWTUJPJM-YTWAJWBKSA-N 1 1 183.295 1.752 10 30 ADEEMO C#C[C@H](C)[NH2+][C@H]1CCCC[C@H]1C#N 253154203 344928619 /nfs/dbraw/zinc/92/86/19/344928619.db2.gz MKVQRMXKWNAZAV-DCAQKATOSA-N 1 1 176.263 1.680 10 30 ADEEMO C#C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C#N 253154204 344928671 /nfs/dbraw/zinc/92/86/71/344928671.db2.gz MKVQRMXKWNAZAV-GARJFASQSA-N 1 1 176.263 1.680 10 30 ADEEMO C[C@@H](CC#N)[N@H+]1CCCCC[C@H]1CO 253161733 344928677 /nfs/dbraw/zinc/92/86/77/344928677.db2.gz LTUKPVOFSPRMQI-QWRGUYRKSA-N 1 1 196.294 1.525 10 30 ADEEMO C#C[C@H](C)[NH2+][C@H](C)[C@H]1CCCN(C)C1 253159042 344928741 /nfs/dbraw/zinc/92/87/41/344928741.db2.gz ROCFZCNJJGIFJA-TUAOUCFPSA-N 1 1 194.322 1.328 10 30 ADEEMO C#C[C@H](C)N[C@H](C)[C@H]1CCC[N@H+](C)C1 253159042 344928745 /nfs/dbraw/zinc/92/87/45/344928745.db2.gz ROCFZCNJJGIFJA-TUAOUCFPSA-N 1 1 194.322 1.328 10 30 ADEEMO C#C[C@H](C)N[C@H](C)[C@H]1CCC[N@@H+](C)C1 253159042 344928746 /nfs/dbraw/zinc/92/87/46/344928746.db2.gz ROCFZCNJJGIFJA-TUAOUCFPSA-N 1 1 194.322 1.328 10 30 ADEEMO C[C@H](CC#N)[N@H+]1CCCCC[C@H]1CO 253161731 344928836 /nfs/dbraw/zinc/92/88/36/344928836.db2.gz LTUKPVOFSPRMQI-MNOVXSKESA-N 1 1 196.294 1.525 10 30 ADEEMO C#C[C@H](C)[NH2+][C@@H](C)[C@H]1CCCN(C)C1 253159041 344928850 /nfs/dbraw/zinc/92/88/50/344928850.db2.gz ROCFZCNJJGIFJA-SRVKXCTJSA-N 1 1 194.322 1.328 10 30 ADEEMO C#C[C@H](C)N[C@@H](C)[C@H]1CCC[N@H+](C)C1 253159041 344928853 /nfs/dbraw/zinc/92/88/53/344928853.db2.gz ROCFZCNJJGIFJA-SRVKXCTJSA-N 1 1 194.322 1.328 10 30 ADEEMO C#C[C@H](C)N[C@@H](C)[C@H]1CCC[N@@H+](C)C1 253159041 344928855 /nfs/dbraw/zinc/92/88/55/344928855.db2.gz ROCFZCNJJGIFJA-SRVKXCTJSA-N 1 1 194.322 1.328 10 30 ADEEMO C#C[C@H](C)N1CCC[N@H+]2CCC[C@H]2C1 253155171 344928858 /nfs/dbraw/zinc/92/88/58/344928858.db2.gz NPESRMIVLGXLDF-RYUDHWBXSA-N 1 1 192.306 1.178 10 30 ADEEMO C#C[C@@H](C)N1CCC[N@H+]2CCC[C@H]2C1 253155170 344928895 /nfs/dbraw/zinc/92/88/95/344928895.db2.gz NPESRMIVLGXLDF-NEPJUHHUSA-N 1 1 192.306 1.178 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCCCC[C@H]1CO 253171580 344928952 /nfs/dbraw/zinc/92/89/52/344928952.db2.gz IVQYXBDGIZMUGY-QWRGUYRKSA-N 1 1 183.295 1.798 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCCCC[C@H]1CO 253171579 344928962 /nfs/dbraw/zinc/92/89/62/344928962.db2.gz IVQYXBDGIZMUGY-MNOVXSKESA-N 1 1 183.295 1.798 10 30 ADEEMO CC#CCC[N@H+]1CCC(=O)[C@H](C)[C@H]1C 253175765 344929185 /nfs/dbraw/zinc/92/91/85/344929185.db2.gz OSBBCBLZJSKGLP-GHMZBOCLSA-N 1 1 193.290 1.699 10 30 ADEEMO CC#CCC[N@H+]1CCC(=O)[C@@H](C)[C@H]1C 253175766 344929267 /nfs/dbraw/zinc/92/92/67/344929267.db2.gz OSBBCBLZJSKGLP-WDEREUQCSA-N 1 1 193.290 1.699 10 30 ADEEMO CC[C@](C)(O)C[N@@H+](C)C[C@H](C)C#N 253214024 344932047 /nfs/dbraw/zinc/93/20/47/344932047.db2.gz CDMYZKVWMHTGAH-ZJUUUORDSA-N 1 1 184.283 1.239 10 30 ADEEMO CC[N@@H+](C[C@@H](C)C#N)C[C@](C)(O)CC 253212618 344932088 /nfs/dbraw/zinc/93/20/88/344932088.db2.gz BTKVZENJEPGELN-WDEREUQCSA-N 1 1 198.310 1.629 10 30 ADEEMO CC[N@@H+](C[C@H](C)C#N)C[C@](C)(O)CC 253212616 344932114 /nfs/dbraw/zinc/93/21/14/344932114.db2.gz BTKVZENJEPGELN-GHMZBOCLSA-N 1 1 198.310 1.629 10 30 ADEEMO C[C@H](C#N)CN[C@@H]1CC[N@@H+](C)C[C@H]1C 253264066 344932125 /nfs/dbraw/zinc/93/21/25/344932125.db2.gz JBUXCEMMXWTDIL-GMTAPVOTSA-N 1 1 195.310 1.076 10 30 ADEEMO CC[C@@](C)(O)C[N@@H+](C)C[C@H](C)C#N 253214022 344932151 /nfs/dbraw/zinc/93/21/51/344932151.db2.gz CDMYZKVWMHTGAH-NXEZZACHSA-N 1 1 184.283 1.239 10 30 ADEEMO CCCC[N@H+]1CCC(=NO)[C@@H](C)C1 253284144 344932662 /nfs/dbraw/zinc/93/26/62/344932662.db2.gz MQJNRIYNWVDHRT-VIFPVBQESA-N 1 1 184.283 1.959 10 30 ADEEMO CC[C@@H]1C[N@@H+](CC2CC2)CCC1=NO 253282845 344932861 /nfs/dbraw/zinc/93/28/61/344932861.db2.gz LNODIORQUDQOOL-SNVBAGLBSA-N 1 1 196.294 1.959 10 30 ADEEMO CCCC[N@H+]1CCC(=NO)[C@H](C)C1 253284143 344932927 /nfs/dbraw/zinc/93/29/27/344932927.db2.gz MQJNRIYNWVDHRT-SECBINFHSA-N 1 1 184.283 1.959 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCC(=O)[C@H](CC)C1 253312697 344933314 /nfs/dbraw/zinc/93/33/14/344933314.db2.gz WFBMSHCUHCSLLW-NXEZZACHSA-N 1 1 181.279 1.862 10 30 ADEEMO C=C[C@@H](C)[N@@H+]1CCC(=O)[C@H](CC)C1 253312697 344933317 /nfs/dbraw/zinc/93/33/17/344933317.db2.gz WFBMSHCUHCSLLW-NXEZZACHSA-N 1 1 181.279 1.862 10 30 ADEEMO C=C(C)C[N@H+]1CC[C@@H](O)[C@H](CC)C1 253305357 344933448 /nfs/dbraw/zinc/93/34/48/344933448.db2.gz SHVHKXUQMOJVRR-GHMZBOCLSA-N 1 1 183.295 1.655 10 30 ADEEMO Cc1csc([NH+]=CN(C)C)n1 254391729 344935834 /nfs/dbraw/zinc/93/58/34/344935834.db2.gz TXCWDCATUQNOMC-UHFFFAOYSA-N 1 1 169.253 1.673 10 30 ADEEMO CC[N@@H+](C)CC(C)(C)C#N 258827773 344945521 /nfs/dbraw/zinc/94/55/21/344945521.db2.gz BBCRGIVGXRWOKD-UHFFFAOYSA-N 1 1 140.230 1.488 10 30 ADEEMO C=CCNc1cc(NC)nc(C)[nH+]1 258768865 344945548 /nfs/dbraw/zinc/94/55/48/344945548.db2.gz QJDOIGUSKARWGB-UHFFFAOYSA-N 1 1 178.239 1.425 10 30 ADEEMO CCC[N@@H+](C)CC1(C#N)CC1 258857950 344946243 /nfs/dbraw/zinc/94/62/43/344946243.db2.gz GSBGZZOHWWXUIK-UHFFFAOYSA-N 1 1 152.241 1.632 10 30 ADEEMO COCCC[N@H+]1CCC[C@H](CC#N)C1 259143875 344947360 /nfs/dbraw/zinc/94/73/60/344947360.db2.gz DWVSHFZHZYARSW-LLVKDONJSA-N 1 1 196.294 1.649 10 30 ADEEMO COCCC[N@H+]1CCC[C@@H](CC#N)C1 259145890 344947454 /nfs/dbraw/zinc/94/74/54/344947454.db2.gz DWVSHFZHZYARSW-NSHDSACASA-N 1 1 196.294 1.649 10 30 ADEEMO CN(CCC#N)[C@H]1CC[N@H+](C2CC2)C1 259969762 344951844 /nfs/dbraw/zinc/95/18/44/344951844.db2.gz HCLMFXDLKRMAFY-NSHDSACASA-N 1 1 193.294 1.069 10 30 ADEEMO CN(CCC#N)[C@@H]1CC[N@H+](C2CC2)C1 259969760 344952139 /nfs/dbraw/zinc/95/21/39/344952139.db2.gz HCLMFXDLKRMAFY-LLVKDONJSA-N 1 1 193.294 1.069 10 30 ADEEMO N#Cc1cnccc1C[NH+]1CCCC1 260661371 344953437 /nfs/dbraw/zinc/95/34/37/344953437.db2.gz HLGKDOYNNIUAMK-UHFFFAOYSA-N 1 1 187.246 1.549 10 30 ADEEMO CC[NH+](CC)Cc1ccncc1C#N 260793527 344953520 /nfs/dbraw/zinc/95/35/20/344953520.db2.gz UTPWXCTZMRZCGH-UHFFFAOYSA-N 1 1 189.262 1.795 10 30 ADEEMO C#CCCC[N@@H+]1CC[C@@H](C)[C@H](O)C1 299891511 344957778 /nfs/dbraw/zinc/95/77/78/344957778.db2.gz VMUBXASVTBVSBL-GHMZBOCLSA-N 1 1 181.279 1.103 10 30 ADEEMO C#CCCC[N@@H+]1CC[C@H](C)[C@H](O)C1 299891512 344957766 /nfs/dbraw/zinc/95/77/66/344957766.db2.gz VMUBXASVTBVSBL-WDEREUQCSA-N 1 1 181.279 1.103 10 30 ADEEMO CO[C@H]1C[N@@H+](CCCC#N)CC[C@H]1C 299893172 344958188 /nfs/dbraw/zinc/95/81/88/344958188.db2.gz IVGGIPBTKNMZFZ-MNOVXSKESA-N 1 1 196.294 1.647 10 30 ADEEMO CO[C@@H]1C[N@@H+](CCCC#N)CC[C@H]1C 299893171 344958271 /nfs/dbraw/zinc/95/82/71/344958271.db2.gz IVGGIPBTKNMZFZ-GHMZBOCLSA-N 1 1 196.294 1.647 10 30 ADEEMO CO[C@H]1C[N@@H+](CCS)CC[C@H]1C 299906156 344959099 /nfs/dbraw/zinc/95/90/99/344959099.db2.gz GUOGIMGVXZBABF-BDAKNGLRSA-N 1 1 189.324 1.273 10 30 ADEEMO CO[C@@H]1C[N@@H+](CCS)CC[C@H]1C 299906159 344960187 /nfs/dbraw/zinc/96/01/87/344960187.db2.gz GUOGIMGVXZBABF-RKDXNWHRSA-N 1 1 189.324 1.273 10 30 ADEEMO C=C(C[NH3+])C[N@@H+]1CC[C@H](C)[C@H](C)C1 299964702 344961268 /nfs/dbraw/zinc/96/12/68/344961268.db2.gz GNRCUQUSZJKRSX-WDEREUQCSA-N 1 1 182.311 1.479 10 30 ADEEMO C=C(CN)C[N@H+]1CC[C@H](C)[C@H](C)C1 299964702 344961271 /nfs/dbraw/zinc/96/12/71/344961271.db2.gz GNRCUQUSZJKRSX-WDEREUQCSA-N 1 1 182.311 1.479 10 30 ADEEMO C=C(CN)C[N@@H+]1CC[C@H](C)[C@H](C)C1 299964702 344961273 /nfs/dbraw/zinc/96/12/73/344961273.db2.gz GNRCUQUSZJKRSX-WDEREUQCSA-N 1 1 182.311 1.479 10 30 ADEEMO C=C(C[NH3+])C[N@@H+]1CCC[C@H](C)[C@H]1C 299965674 344961331 /nfs/dbraw/zinc/96/13/31/344961331.db2.gz MDDATKHSLZQUKC-WDEREUQCSA-N 1 1 182.311 1.622 10 30 ADEEMO C=C(CN)C[N@H+]1CCC[C@H](C)[C@H]1C 299965674 344961335 /nfs/dbraw/zinc/96/13/35/344961335.db2.gz MDDATKHSLZQUKC-WDEREUQCSA-N 1 1 182.311 1.622 10 30 ADEEMO C=C(CN)C[N@@H+]1CCC[C@H](C)[C@H]1C 299965674 344961337 /nfs/dbraw/zinc/96/13/37/344961337.db2.gz MDDATKHSLZQUKC-WDEREUQCSA-N 1 1 182.311 1.622 10 30 ADEEMO C=C[C@H](C)[N@H+]1CC[C@](C)(O)C1 300011062 344962182 /nfs/dbraw/zinc/96/21/82/344962182.db2.gz CEKWCVNHSRUZBQ-IUCAKERBSA-N 1 1 155.241 1.018 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CC[C@](C)(O)C1 300011061 344962188 /nfs/dbraw/zinc/96/21/88/344962188.db2.gz CEKWCVNHSRUZBQ-BDAKNGLRSA-N 1 1 155.241 1.018 10 30 ADEEMO CO[C@]1(C)CCC[N@@H+](C[C@H](C)C#N)C1 300237855 344972240 /nfs/dbraw/zinc/97/22/40/344972240.db2.gz DUXDXATYUGWQKH-GHMZBOCLSA-N 1 1 196.294 1.647 10 30 ADEEMO C#C[C@@H](C)N(C)[C@H]1CCC[NH2+]CC1 300237629 344972426 /nfs/dbraw/zinc/97/24/26/344972426.db2.gz ZKGIFYORIKBLOK-MNOVXSKESA-N 1 1 180.295 1.082 10 30 ADEEMO C#C[C@H](C)N(C)[C@H]1CCC[NH2+]CC1 300237630 344972452 /nfs/dbraw/zinc/97/24/52/344972452.db2.gz ZKGIFYORIKBLOK-QWRGUYRKSA-N 1 1 180.295 1.082 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCC[C@](C)(O)CC1 300238194 344973161 /nfs/dbraw/zinc/97/31/61/344973161.db2.gz KYQFAADYBNSCHG-QWRGUYRKSA-N 1 1 183.295 1.798 10 30 ADEEMO C[C@H](C#N)C[N@H+]1CCC[C@](C)(O)CC1 300238577 344973229 /nfs/dbraw/zinc/97/32/29/344973229.db2.gz PFTACWFXTZNSES-MNOVXSKESA-N 1 1 196.294 1.383 10 30 ADEEMO C#CCCC[N@@H+]1CCCN(C)C[C@H]1C 300354396 344975340 /nfs/dbraw/zinc/97/53/40/344975340.db2.gz GLIJFNQDYTXYAF-GFCCVEGCSA-N 1 1 194.322 1.426 10 30 ADEEMO CC[C@@H](C#N)N1CCC[N@@H+](C)C[C@H]1C 300354486 344975753 /nfs/dbraw/zinc/97/57/53/344975753.db2.gz ASEZTWCDEQUKFT-MNOVXSKESA-N 1 1 195.310 1.315 10 30 ADEEMO C#CCN1CCC[N@H+](C)C[C@H]1CC 300355710 344975914 /nfs/dbraw/zinc/97/59/14/344975914.db2.gz QZFHLRRXKLEFIY-LLVKDONJSA-N 1 1 180.295 1.036 10 30 ADEEMO C#CC[N@H+]1CCCN(C)C[C@H]1CC 300355710 344975917 /nfs/dbraw/zinc/97/59/17/344975917.db2.gz QZFHLRRXKLEFIY-LLVKDONJSA-N 1 1 180.295 1.036 10 30 ADEEMO C#CC[N@@H+]1CCCN(C)C[C@H]1CC 300355710 344975919 /nfs/dbraw/zinc/97/59/19/344975919.db2.gz QZFHLRRXKLEFIY-LLVKDONJSA-N 1 1 180.295 1.036 10 30 ADEEMO CC[C@H](C#N)N1CCC[N@@H+](C)C[C@H]1C 300354485 344975957 /nfs/dbraw/zinc/97/59/57/344975957.db2.gz ASEZTWCDEQUKFT-GHMZBOCLSA-N 1 1 195.310 1.315 10 30 ADEEMO C[C@@H](C#N)CN1CCC[N@@H+](C)C[C@H]1C 300357431 344976028 /nfs/dbraw/zinc/97/60/28/344976028.db2.gz YVSMZRVQNNXMCM-WDEREUQCSA-N 1 1 195.310 1.172 10 30 ADEEMO C[C@H](C#N)CN1CCC[N@@H+](C)C[C@H]1C 300357430 344976194 /nfs/dbraw/zinc/97/61/94/344976194.db2.gz YVSMZRVQNNXMCM-GHMZBOCLSA-N 1 1 195.310 1.172 10 30 ADEEMO C#CCC[N@@H+]1CCCN(C)C[C@H]1C 300356878 344976353 /nfs/dbraw/zinc/97/63/53/344976353.db2.gz RDRFFPXIHLZCCA-LLVKDONJSA-N 1 1 180.295 1.036 10 30 ADEEMO C#CCCN1CCC[N@@H+](C)C[C@H]1C 300356878 344976357 /nfs/dbraw/zinc/97/63/57/344976357.db2.gz RDRFFPXIHLZCCA-LLVKDONJSA-N 1 1 180.295 1.036 10 30 ADEEMO C#CCCN1CCC[N@H+](C)C[C@H]1C 300356878 344976359 /nfs/dbraw/zinc/97/63/59/344976359.db2.gz RDRFFPXIHLZCCA-LLVKDONJSA-N 1 1 180.295 1.036 10 30 ADEEMO C#C[C@@H](CCC)[N@@H+]1CCC(=O)[C@H](C)C1 300397814 344981875 /nfs/dbraw/zinc/98/18/75/344981875.db2.gz DUYNLRJTFHCJJX-MNOVXSKESA-N 1 1 193.290 1.699 10 30 ADEEMO C#C[C@@H](CCC)[N@H+]1CCC(=O)[C@H](C)C1 300397814 344981877 /nfs/dbraw/zinc/98/18/77/344981877.db2.gz DUYNLRJTFHCJJX-MNOVXSKESA-N 1 1 193.290 1.699 10 30 ADEEMO C#C[C@@H](CC)[N@@H+]1CCC(=O)[C@H](C)C1 300398993 344982049 /nfs/dbraw/zinc/98/20/49/344982049.db2.gz OCXDJUDJPMTHDE-ZJUUUORDSA-N 1 1 179.263 1.309 10 30 ADEEMO C#C[C@@H](CC)[N@H+]1CCC(=O)[C@H](C)C1 300398993 344982053 /nfs/dbraw/zinc/98/20/53/344982053.db2.gz OCXDJUDJPMTHDE-ZJUUUORDSA-N 1 1 179.263 1.309 10 30 ADEEMO C#C[C@H](CC)[N@@H+]1CCNC[C@H]1C(C)C 300398700 344982294 /nfs/dbraw/zinc/98/22/94/344982294.db2.gz MRZXRVQGQGPYNZ-NEPJUHHUSA-N 1 1 194.322 1.328 10 30 ADEEMO C#C[C@H](CC)N1CC[N@H+]2CCC[C@H]2C1 300397544 344982181 /nfs/dbraw/zinc/98/21/81/344982181.db2.gz CFVBLGRRGYXWIO-NEPJUHHUSA-N 1 1 192.306 1.178 10 30 ADEEMO C#C[C@H](CC)[N@@H+]1CCC(=O)C[C@H]1C 300397309 344982213 /nfs/dbraw/zinc/98/22/13/344982213.db2.gz ACJIAKYOIOMLEJ-NXEZZACHSA-N 1 1 179.263 1.452 10 30 ADEEMO C#C[C@H](CC)[N@H+]1CCC(=O)C[C@H]1C 300397309 344982215 /nfs/dbraw/zinc/98/22/15/344982215.db2.gz ACJIAKYOIOMLEJ-NXEZZACHSA-N 1 1 179.263 1.452 10 30 ADEEMO C#C[C@@H](CC)[N@@H+]1CCC(=O)C[C@H]1C 300397310 344982221 /nfs/dbraw/zinc/98/22/21/344982221.db2.gz ACJIAKYOIOMLEJ-ZJUUUORDSA-N 1 1 179.263 1.452 10 30 ADEEMO C#C[C@@H](CC)[N@H+]1CCC(=O)C[C@H]1C 300397310 344982223 /nfs/dbraw/zinc/98/22/23/344982223.db2.gz ACJIAKYOIOMLEJ-ZJUUUORDSA-N 1 1 179.263 1.452 10 30 ADEEMO C#C[C@H](CC)[N@@H+]1CCC(=O)[C@H](C)C1 300398991 344982281 /nfs/dbraw/zinc/98/22/81/344982281.db2.gz OCXDJUDJPMTHDE-NXEZZACHSA-N 1 1 179.263 1.309 10 30 ADEEMO C#C[C@H](CC)[N@H+]1CCC(=O)[C@H](C)C1 300398991 344982284 /nfs/dbraw/zinc/98/22/84/344982284.db2.gz OCXDJUDJPMTHDE-NXEZZACHSA-N 1 1 179.263 1.309 10 30 ADEEMO C#C[C@H](CC)[N@H+]1CCNC[C@H]1C(C)C 300398700 344982297 /nfs/dbraw/zinc/98/22/97/344982297.db2.gz MRZXRVQGQGPYNZ-NEPJUHHUSA-N 1 1 194.322 1.328 10 30 ADEEMO C#C[C@@H](CC)N1CC[N@H+]2CCC[C@H]2C1 300397546 344982337 /nfs/dbraw/zinc/98/23/37/344982337.db2.gz CFVBLGRRGYXWIO-RYUDHWBXSA-N 1 1 192.306 1.178 10 30 ADEEMO C#C[C@H](CCC)[N@@H+]1CCC(=O)[C@H](C)C1 300397813 344982428 /nfs/dbraw/zinc/98/24/28/344982428.db2.gz DUYNLRJTFHCJJX-GHMZBOCLSA-N 1 1 193.290 1.699 10 30 ADEEMO C#C[C@H](CCC)[N@H+]1CCC(=O)[C@H](C)C1 300397813 344982429 /nfs/dbraw/zinc/98/24/29/344982429.db2.gz DUYNLRJTFHCJJX-GHMZBOCLSA-N 1 1 193.290 1.699 10 30 ADEEMO C#C[C@@H](CC)[N@@H+]1CCNC[C@H]1C(C)C 300398702 344982440 /nfs/dbraw/zinc/98/24/40/344982440.db2.gz MRZXRVQGQGPYNZ-RYUDHWBXSA-N 1 1 194.322 1.328 10 30 ADEEMO C#C[C@@H](CC)[N@H+]1CCNC[C@H]1C(C)C 300398702 344982441 /nfs/dbraw/zinc/98/24/41/344982441.db2.gz MRZXRVQGQGPYNZ-RYUDHWBXSA-N 1 1 194.322 1.328 10 30 ADEEMO C#C[C@H](C(C)C)[N@@H+]1CCNC[C@H]1CC 300717894 344983086 /nfs/dbraw/zinc/98/30/86/344983086.db2.gz YVDZCKFQTXANQX-VXGBXAGGSA-N 1 1 194.322 1.328 10 30 ADEEMO C#C[C@H](C(C)C)[N@H+]1CCNC[C@H]1CC 300717894 344983082 /nfs/dbraw/zinc/98/30/82/344983082.db2.gz YVDZCKFQTXANQX-VXGBXAGGSA-N 1 1 194.322 1.328 10 30 ADEEMO C#C[C@@H](C(C)C)[N@H+]1CCNC[C@H]1CC 300717891 344983102 /nfs/dbraw/zinc/98/31/02/344983102.db2.gz YVDZCKFQTXANQX-NEPJUHHUSA-N 1 1 194.322 1.328 10 30 ADEEMO C#C[C@@H](C(C)C)[N@@H+]1CCNC[C@H]1CC 300717891 344983107 /nfs/dbraw/zinc/98/31/07/344983107.db2.gz YVDZCKFQTXANQX-NEPJUHHUSA-N 1 1 194.322 1.328 10 30 ADEEMO C#C[C@H](C(C)C)[N@H+]1CCNC[C@@H]1CC 300717892 344983186 /nfs/dbraw/zinc/98/31/86/344983186.db2.gz YVDZCKFQTXANQX-NWDGAFQWSA-N 1 1 194.322 1.328 10 30 ADEEMO C#C[C@H](C(C)C)[N@@H+]1CCNC[C@@H]1CC 300717892 344983189 /nfs/dbraw/zinc/98/31/89/344983189.db2.gz YVDZCKFQTXANQX-NWDGAFQWSA-N 1 1 194.322 1.328 10 30 ADEEMO C#C[C@@H](C(C)C)[N@H+]1CCNC[C@@H]1CC 300717893 344983247 /nfs/dbraw/zinc/98/32/47/344983247.db2.gz YVDZCKFQTXANQX-RYUDHWBXSA-N 1 1 194.322 1.328 10 30 ADEEMO C#C[C@@H](C(C)C)[N@@H+]1CCNC[C@@H]1CC 300717893 344983251 /nfs/dbraw/zinc/98/32/51/344983251.db2.gz YVDZCKFQTXANQX-RYUDHWBXSA-N 1 1 194.322 1.328 10 30 ADEEMO CC(C)(C)C#CC[N@H+]1CC[C@H](O)C1 300724203 344983650 /nfs/dbraw/zinc/98/36/50/344983650.db2.gz CQGXKUUWZUPGEC-JTQLQIEISA-N 1 1 181.279 1.103 10 30 ADEEMO CC(C)(C)C#CC[N@H+]1CCC[C@H](O)C1 300760926 344991086 /nfs/dbraw/zinc/99/10/86/344991086.db2.gz NQNYAYQJJIACIP-NSHDSACASA-N 1 1 195.306 1.493 10 30 ADEEMO CC(C)(C)C#CC[N@H+]1CCC[C@@H](O)C1 300760925 344991328 /nfs/dbraw/zinc/99/13/28/344991328.db2.gz NQNYAYQJJIACIP-LLVKDONJSA-N 1 1 195.306 1.493 10 30 ADEEMO C[C@H](O)C[N@@H+](C)CC#CC(C)(C)C 300765094 344992466 /nfs/dbraw/zinc/99/24/66/344992466.db2.gz OOCNWZVFZQOWFF-JTQLQIEISA-N 1 1 183.295 1.349 10 30 ADEEMO C[C@@H](O)C[N@@H+](C)CC#CC(C)(C)C 300765098 344992652 /nfs/dbraw/zinc/99/26/52/344992652.db2.gz OOCNWZVFZQOWFF-SNVBAGLBSA-N 1 1 183.295 1.349 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@@H](CC)C1 300768433 344993571 /nfs/dbraw/zinc/99/35/71/344993571.db2.gz AHSQZAHGESONNS-NXEZZACHSA-N 1 1 197.278 1.446 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@H+]1CC[C@@H](CC)C1 300768433 344993573 /nfs/dbraw/zinc/99/35/73/344993573.db2.gz AHSQZAHGESONNS-NXEZZACHSA-N 1 1 197.278 1.446 10 30 ADEEMO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](CC)C1 300768436 344993688 /nfs/dbraw/zinc/99/36/88/344993688.db2.gz AHSQZAHGESONNS-ZJUUUORDSA-N 1 1 197.278 1.446 10 30 ADEEMO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@@H](CC)C1 300768436 344993690 /nfs/dbraw/zinc/99/36/90/344993690.db2.gz AHSQZAHGESONNS-ZJUUUORDSA-N 1 1 197.278 1.446 10 30 ADEEMO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@H](CC)C1 300768434 344993713 /nfs/dbraw/zinc/99/37/13/344993713.db2.gz AHSQZAHGESONNS-UWVGGRQHSA-N 1 1 197.278 1.446 10 30 ADEEMO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@H](CC)C1 300768434 344993716 /nfs/dbraw/zinc/99/37/16/344993716.db2.gz AHSQZAHGESONNS-UWVGGRQHSA-N 1 1 197.278 1.446 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@H](CC)C1 300768435 344993790 /nfs/dbraw/zinc/99/37/90/344993790.db2.gz AHSQZAHGESONNS-VHSXEESVSA-N 1 1 197.278 1.446 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@H+]1CC[C@H](CC)C1 300768435 344993791 /nfs/dbraw/zinc/99/37/91/344993791.db2.gz AHSQZAHGESONNS-VHSXEESVSA-N 1 1 197.278 1.446 10 30 ADEEMO C=C[C@H](C(=O)OC)[NH+](CC)CC 300769977 344994486 /nfs/dbraw/zinc/99/44/86/344994486.db2.gz ATZWUDBNHQUUMF-MRVPVSSYSA-N 1 1 171.240 1.056 10 30 ADEEMO C=C[C@H](C(=O)OC)[NH+]1CCCCCC1 300770613 344994507 /nfs/dbraw/zinc/99/45/07/344994507.db2.gz AZGUFDKHIYNYCB-SNVBAGLBSA-N 1 1 197.278 1.590 10 30 ADEEMO C=C[C@@H](C(=O)OC)[NH+]1CCCCCC1 300770611 344994612 /nfs/dbraw/zinc/99/46/12/344994612.db2.gz AZGUFDKHIYNYCB-JTQLQIEISA-N 1 1 197.278 1.590 10 30 ADEEMO C=C[C@@H](C(=O)OC)[NH+](CC)CC 300769978 344994637 /nfs/dbraw/zinc/99/46/37/344994637.db2.gz ATZWUDBNHQUUMF-QMMMGPOBSA-N 1 1 171.240 1.056 10 30 ADEEMO C=C[C@@H](C(=O)OC)[NH+](CCC)CCC 300771171 344994852 /nfs/dbraw/zinc/99/48/52/344994852.db2.gz BCXNIXCLVKUSDY-JTQLQIEISA-N 1 1 199.294 1.836 10 30 ADEEMO C=C[C@H](C(=O)OC)[NH+](CCC)CCC 300771173 344994929 /nfs/dbraw/zinc/99/49/29/344994929.db2.gz BCXNIXCLVKUSDY-SNVBAGLBSA-N 1 1 199.294 1.836 10 30 ADEEMO C[N@@H+](CCCO)CCC(C)(C)C#N 300771136 344995137 /nfs/dbraw/zinc/99/51/37/344995137.db2.gz CRHNYTGHWLNKOR-UHFFFAOYSA-N 1 1 184.283 1.240 10 30 ADEEMO C=C(Cl)C[N@H+](C)CCCO 300777538 344996278 /nfs/dbraw/zinc/99/62/78/344996278.db2.gz FDZQVKNLBGXJPI-UHFFFAOYSA-N 1 1 163.648 1.053 10 30 ADEEMO C=C(Cl)C[N@@H+](C)CCCO 300777538 344996279 /nfs/dbraw/zinc/99/62/79/344996279.db2.gz FDZQVKNLBGXJPI-UHFFFAOYSA-N 1 1 163.648 1.053 10 30 ADEEMO C1C[C@H]2C[C@@H](C1)C[N@@H+](C[C@@H]1CO1)C2 300779483 344996457 /nfs/dbraw/zinc/99/64/57/344996457.db2.gz RPKKHADGURKTCO-OUAUKWLOSA-N 1 1 181.279 1.507 10 30 ADEEMO C1C[C@H]2C[C@@H](C1)C[N@@H+](C[C@H]1CO1)C2 300779480 344996634 /nfs/dbraw/zinc/99/66/34/344996634.db2.gz RPKKHADGURKTCO-AXFHLTTASA-N 1 1 181.279 1.507 10 30 ADEEMO C[N@@H+](CCCO)CCCC(C)(C)C#N 300789534 344998213 /nfs/dbraw/zinc/99/82/13/344998213.db2.gz HDOZVSKZMNWBSZ-UHFFFAOYSA-N 1 1 198.310 1.631 10 30 ADEEMO CC(C)(C)C#CC[N@H+]1CC[C@](C)(O)C1 300789714 344998290 /nfs/dbraw/zinc/99/82/90/344998290.db2.gz SWNWMKGHROIVOW-LBPRGKRZSA-N 1 1 195.306 1.493 10 30 ADEEMO CC(C)(C)C#CC[N@H+]1CC[C@@](C)(O)C1 300789711 344998443 /nfs/dbraw/zinc/99/84/43/344998443.db2.gz SWNWMKGHROIVOW-GFCCVEGCSA-N 1 1 195.306 1.493 10 30 ADEEMO CSC1CC[NH+](CC=O)CC1 300802517 344999972 /nfs/dbraw/zinc/99/99/72/344999972.db2.gz FSYXXTFPHPNLDM-UHFFFAOYSA-N 1 1 173.281 1.013 10 30 ADEEMO CC(C)(C)C#CC[N@H+]1CCC[C@H]1CO 300818523 345001989 /nfs/dbraw/zinc/00/19/89/345001989.db2.gz YSMQNZIUWFGNQU-NSHDSACASA-N 1 1 195.306 1.493 10 30 ADEEMO CC(C)[C@H](O)C[N@H+](C)[C@@H](C)CC#N 300850005 345005327 /nfs/dbraw/zinc/00/53/27/345005327.db2.gz HATVQIYVRKBSHL-VHSXEESVSA-N 1 1 184.283 1.237 10 30 ADEEMO CC(C)[C@H](O)C[N@@H+](C)[C@@H](C)CC#N 300850005 345005329 /nfs/dbraw/zinc/00/53/29/345005329.db2.gz HATVQIYVRKBSHL-VHSXEESVSA-N 1 1 184.283 1.237 10 30 ADEEMO CC(C)[C@@H](O)C[N@H+](C)[C@H](C)CC#N 300850008 345005374 /nfs/dbraw/zinc/00/53/74/345005374.db2.gz HATVQIYVRKBSHL-ZJUUUORDSA-N 1 1 184.283 1.237 10 30 ADEEMO CC(C)[C@@H](O)C[N@@H+](C)[C@H](C)CC#N 300850008 345005375 /nfs/dbraw/zinc/00/53/75/345005375.db2.gz HATVQIYVRKBSHL-ZJUUUORDSA-N 1 1 184.283 1.237 10 30 ADEEMO CC(C)[C@@H](O)C[N@H+](C)[C@@H](C)CC#N 300850002 345005391 /nfs/dbraw/zinc/00/53/91/345005391.db2.gz HATVQIYVRKBSHL-UWVGGRQHSA-N 1 1 184.283 1.237 10 30 ADEEMO CC(C)[C@@H](O)C[N@@H+](C)[C@@H](C)CC#N 300850002 345005392 /nfs/dbraw/zinc/00/53/92/345005392.db2.gz HATVQIYVRKBSHL-UWVGGRQHSA-N 1 1 184.283 1.237 10 30 ADEEMO CC(C)[C@H](O)C[N@H+](C)[C@H](C)CC#N 300849999 345005398 /nfs/dbraw/zinc/00/53/98/345005398.db2.gz HATVQIYVRKBSHL-NXEZZACHSA-N 1 1 184.283 1.237 10 30 ADEEMO CC(C)[C@H](O)C[N@@H+](C)[C@H](C)CC#N 300849999 345005400 /nfs/dbraw/zinc/00/54/00/345005400.db2.gz HATVQIYVRKBSHL-NXEZZACHSA-N 1 1 184.283 1.237 10 30 ADEEMO C#C[C@@H](Nc1ccc(N)c[nH+]1)C(C)C 300855434 345005764 /nfs/dbraw/zinc/00/57/64/345005764.db2.gz FVIHZZVSFACYIO-SNVBAGLBSA-N 1 1 189.262 1.734 10 30 ADEEMO C#C[C@H](Nc1ccc(N)c[nH+]1)C(C)C 300855432 345006168 /nfs/dbraw/zinc/00/61/68/345006168.db2.gz FVIHZZVSFACYIO-JTQLQIEISA-N 1 1 189.262 1.734 10 30 ADEEMO C#C[C@H](C(C)C)[N@@H+]1CCC(=O)[C@H](C)C1 300864135 345006931 /nfs/dbraw/zinc/00/69/31/345006931.db2.gz GUOUHYXYCLSVMT-GHMZBOCLSA-N 1 1 193.290 1.555 10 30 ADEEMO C#C[C@H](C(C)C)[N@H+]1CCC(=O)[C@H](C)C1 300864135 345006933 /nfs/dbraw/zinc/00/69/33/345006933.db2.gz GUOUHYXYCLSVMT-GHMZBOCLSA-N 1 1 193.290 1.555 10 30 ADEEMO C#C[C@@H](C(C)C)[N@@H+]1CCC(=O)[C@@H](C)C1 300864140 345006999 /nfs/dbraw/zinc/00/69/99/345006999.db2.gz GUOUHYXYCLSVMT-QWRGUYRKSA-N 1 1 193.290 1.555 10 30 ADEEMO C#C[C@@H](C(C)C)[N@H+]1CCC(=O)[C@@H](C)C1 300864140 345007002 /nfs/dbraw/zinc/00/70/02/345007002.db2.gz GUOUHYXYCLSVMT-QWRGUYRKSA-N 1 1 193.290 1.555 10 30 ADEEMO C#C[C@@H](C(C)C)[N@@H+]1CCC(=O)[C@H](C)C1 300864138 345007076 /nfs/dbraw/zinc/00/70/76/345007076.db2.gz GUOUHYXYCLSVMT-MNOVXSKESA-N 1 1 193.290 1.555 10 30 ADEEMO C#C[C@@H](C(C)C)[N@H+]1CCC(=O)[C@H](C)C1 300864138 345007079 /nfs/dbraw/zinc/00/70/79/345007079.db2.gz GUOUHYXYCLSVMT-MNOVXSKESA-N 1 1 193.290 1.555 10 30 ADEEMO C#C[C@H](C(C)C)[N@@H+]1CCC(=O)[C@@H](C)C1 300864143 345007123 /nfs/dbraw/zinc/00/71/23/345007123.db2.gz GUOUHYXYCLSVMT-WDEREUQCSA-N 1 1 193.290 1.555 10 30 ADEEMO C#C[C@H](C(C)C)[N@H+]1CCC(=O)[C@@H](C)C1 300864143 345007126 /nfs/dbraw/zinc/00/71/26/345007126.db2.gz GUOUHYXYCLSVMT-WDEREUQCSA-N 1 1 193.290 1.555 10 30 ADEEMO CSC1CC[NH+](C[C@H](C)C#N)CC1 300866206 345007506 /nfs/dbraw/zinc/00/75/06/345007506.db2.gz QAHWUQSJUJQTIS-SECBINFHSA-N 1 1 198.335 1.973 10 30 ADEEMO CC[C@@H]1C[N@@H+]([C@@H](C)CC#N)CCCO1 300871774 345007654 /nfs/dbraw/zinc/00/76/54/345007654.db2.gz KAOPQKUPUICJPZ-WDEREUQCSA-N 1 1 196.294 1.789 10 30 ADEEMO CC[C@H]1C[N@@H+]([C@H](C)CC#N)CCCO1 300871770 345007647 /nfs/dbraw/zinc/00/76/47/345007647.db2.gz KAOPQKUPUICJPZ-MNOVXSKESA-N 1 1 196.294 1.789 10 30 ADEEMO CC[C@H]1C[N@H+]([C@H](C)CC#N)CCCO1 300871770 345007650 /nfs/dbraw/zinc/00/76/50/345007650.db2.gz KAOPQKUPUICJPZ-MNOVXSKESA-N 1 1 196.294 1.789 10 30 ADEEMO CC[C@@H]1C[N@H+]([C@@H](C)CC#N)CCCO1 300871774 345007657 /nfs/dbraw/zinc/00/76/57/345007657.db2.gz KAOPQKUPUICJPZ-WDEREUQCSA-N 1 1 196.294 1.789 10 30 ADEEMO CC[C@@H]1C[N@@H+]([C@H](C)CC#N)CCCO1 300871768 345007676 /nfs/dbraw/zinc/00/76/76/345007676.db2.gz KAOPQKUPUICJPZ-GHMZBOCLSA-N 1 1 196.294 1.789 10 30 ADEEMO CC[C@@H]1C[N@H+]([C@H](C)CC#N)CCCO1 300871768 345007677 /nfs/dbraw/zinc/00/76/77/345007677.db2.gz KAOPQKUPUICJPZ-GHMZBOCLSA-N 1 1 196.294 1.789 10 30 ADEEMO CSC1CC[NH+](C[C@@H](C)C#N)CC1 300866207 345007810 /nfs/dbraw/zinc/00/78/10/345007810.db2.gz QAHWUQSJUJQTIS-VIFPVBQESA-N 1 1 198.335 1.973 10 30 ADEEMO CC[C@H]1C[N@@H+]([C@@H](C)CC#N)CCCO1 300871772 345007838 /nfs/dbraw/zinc/00/78/38/345007838.db2.gz KAOPQKUPUICJPZ-QWRGUYRKSA-N 1 1 196.294 1.789 10 30 ADEEMO CC[C@H]1C[N@H+]([C@@H](C)CC#N)CCCO1 300871772 345007839 /nfs/dbraw/zinc/00/78/39/345007839.db2.gz KAOPQKUPUICJPZ-QWRGUYRKSA-N 1 1 196.294 1.789 10 30 ADEEMO C#C[C@@H](Nc1cc(N)[nH+]cn1)C(C)C 300880133 345008754 /nfs/dbraw/zinc/00/87/54/345008754.db2.gz ISHCLLLYWGPAFW-MRVPVSSYSA-N 1 1 190.250 1.129 10 30 ADEEMO C#C[C@H](Nc1cc(N)[nH+]cn1)C(C)C 300880135 345008762 /nfs/dbraw/zinc/00/87/62/345008762.db2.gz ISHCLLLYWGPAFW-QMMMGPOBSA-N 1 1 190.250 1.129 10 30 ADEEMO C[C@H]1C[C@@H](C)[N@@H+](C[C@H]2CO2)C1 300932476 345014772 /nfs/dbraw/zinc/01/47/72/345014772.db2.gz BUBPHODTVGYVTB-YIZRAAEISA-N 1 1 155.241 1.116 10 30 ADEEMO C=C[C@@H](C(=O)OC)[N@H+](C)CC(C)(C)C 300933596 345014795 /nfs/dbraw/zinc/01/47/95/345014795.db2.gz BYOAGCKOIMFQEP-VIFPVBQESA-N 1 1 199.294 1.692 10 30 ADEEMO C=C[C@@H](C(=O)OC)[N@@H+](C)CC(C)(C)C 300933596 345014798 /nfs/dbraw/zinc/01/47/98/345014798.db2.gz BYOAGCKOIMFQEP-VIFPVBQESA-N 1 1 199.294 1.692 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@H+](C)CC(C)(C)C 300933595 345014894 /nfs/dbraw/zinc/01/48/94/345014894.db2.gz BYOAGCKOIMFQEP-SECBINFHSA-N 1 1 199.294 1.692 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@@H+](C)CC(C)(C)C 300933595 345014896 /nfs/dbraw/zinc/01/48/96/345014896.db2.gz BYOAGCKOIMFQEP-SECBINFHSA-N 1 1 199.294 1.692 10 30 ADEEMO C[C@H]1C[C@H](C)[N@@H+](C[C@H]2CO2)C1 300932471 345014967 /nfs/dbraw/zinc/01/49/67/345014967.db2.gz BUBPHODTVGYVTB-CIUDSAMLSA-N 1 1 155.241 1.116 10 30 ADEEMO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](C)C1 300940341 345016352 /nfs/dbraw/zinc/01/63/52/345016352.db2.gz DJQPBFHPSBYPFO-UWVGGRQHSA-N 1 1 197.278 1.446 10 30 ADEEMO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](C)C1 300940344 345016008 /nfs/dbraw/zinc/01/60/08/345016008.db2.gz DJQPBFHPSBYPFO-ZJUUUORDSA-N 1 1 197.278 1.446 10 30 ADEEMO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](C)C1 300940344 345016011 /nfs/dbraw/zinc/01/60/11/345016011.db2.gz DJQPBFHPSBYPFO-ZJUUUORDSA-N 1 1 197.278 1.446 10 30 ADEEMO C#C[C@H](C(C)C)N1CCC([NH3+])CC1 300940975 345016083 /nfs/dbraw/zinc/01/60/83/345016083.db2.gz ORKKJLQFTKLXIZ-LLVKDONJSA-N 1 1 180.295 1.067 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H](C)C1 300940342 345016241 /nfs/dbraw/zinc/01/62/41/345016241.db2.gz DJQPBFHPSBYPFO-VHSXEESVSA-N 1 1 197.278 1.446 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@H](C)C1 300940342 345016243 /nfs/dbraw/zinc/01/62/43/345016243.db2.gz DJQPBFHPSBYPFO-VHSXEESVSA-N 1 1 197.278 1.446 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@H](C)C1 300940339 345016252 /nfs/dbraw/zinc/01/62/52/345016252.db2.gz DJQPBFHPSBYPFO-NXEZZACHSA-N 1 1 197.278 1.446 10 30 ADEEMO C#C[C@@H](C(C)C)N1CCC([NH3+])CC1 300940976 345016305 /nfs/dbraw/zinc/01/63/05/345016305.db2.gz ORKKJLQFTKLXIZ-NSHDSACASA-N 1 1 180.295 1.067 10 30 ADEEMO C=C[C@@H](C(=O)OC)[N@@H+](C)CCCC 300941759 345016813 /nfs/dbraw/zinc/01/68/13/345016813.db2.gz DQAJYHXRMWICQL-VIFPVBQESA-N 1 1 185.267 1.446 10 30 ADEEMO C=C[C@@H](C(=O)OC)[N@H+](C)CCCC 300941759 345016817 /nfs/dbraw/zinc/01/68/17/345016817.db2.gz DQAJYHXRMWICQL-VIFPVBQESA-N 1 1 185.267 1.446 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@@H+](C)CCCC 300941756 345016855 /nfs/dbraw/zinc/01/68/55/345016855.db2.gz DQAJYHXRMWICQL-SECBINFHSA-N 1 1 185.267 1.446 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@H+](C)CCCC 300941756 345016858 /nfs/dbraw/zinc/01/68/58/345016858.db2.gz DQAJYHXRMWICQL-SECBINFHSA-N 1 1 185.267 1.446 10 30 ADEEMO C#C[C@@H](Nc1[nH+]cccc1N)C(C)C 300992024 345022577 /nfs/dbraw/zinc/02/25/77/345022577.db2.gz VTQRPUREZHILTL-SNVBAGLBSA-N 1 1 189.262 1.734 10 30 ADEEMO C#C[C@H](Nc1[nH+]cccc1N)C(C)C 300992023 345022659 /nfs/dbraw/zinc/02/26/59/345022659.db2.gz VTQRPUREZHILTL-JTQLQIEISA-N 1 1 189.262 1.734 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@H+](C)C[C@H](C)CC 301012030 345025682 /nfs/dbraw/zinc/02/56/82/345025682.db2.gz GLEKIWZLZTWGHG-NXEZZACHSA-N 1 1 199.294 1.692 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@@H+](C)C[C@H](C)CC 301012030 345025679 /nfs/dbraw/zinc/02/56/79/345025679.db2.gz GLEKIWZLZTWGHG-NXEZZACHSA-N 1 1 199.294 1.692 10 30 ADEEMO C=C[C@H](C(=O)OC)[NH+]1CCCCC1 301011036 345025746 /nfs/dbraw/zinc/02/57/46/345025746.db2.gz GDPUCJUISVJMOE-SECBINFHSA-N 1 1 183.251 1.200 10 30 ADEEMO C=C[C@@H](C(=O)OC)[N@@H+](C)C[C@H](C)CC 301012033 345025755 /nfs/dbraw/zinc/02/57/55/345025755.db2.gz GLEKIWZLZTWGHG-ZJUUUORDSA-N 1 1 199.294 1.692 10 30 ADEEMO C=C[C@@H](C(=O)OC)[N@H+](C)C[C@H](C)CC 301012033 345025758 /nfs/dbraw/zinc/02/57/58/345025758.db2.gz GLEKIWZLZTWGHG-ZJUUUORDSA-N 1 1 199.294 1.692 10 30 ADEEMO C=C[C@@H](C(=O)OC)[N@@H+](C)C[C@@H](C)CC 301012031 345025763 /nfs/dbraw/zinc/02/57/63/345025763.db2.gz GLEKIWZLZTWGHG-UWVGGRQHSA-N 1 1 199.294 1.692 10 30 ADEEMO C=C[C@@H](C(=O)OC)[N@H+](C)C[C@@H](C)CC 301012031 345025765 /nfs/dbraw/zinc/02/57/65/345025765.db2.gz GLEKIWZLZTWGHG-UWVGGRQHSA-N 1 1 199.294 1.692 10 30 ADEEMO C=C[C@@H](C(=O)OC)[NH+]1CCCCC1 301011037 345025785 /nfs/dbraw/zinc/02/57/85/345025785.db2.gz GDPUCJUISVJMOE-VIFPVBQESA-N 1 1 183.251 1.200 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@@H+](C)C[C@@H](C)CC 301012032 345025963 /nfs/dbraw/zinc/02/59/63/345025963.db2.gz GLEKIWZLZTWGHG-VHSXEESVSA-N 1 1 199.294 1.692 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@H+](C)C[C@@H](C)CC 301012032 345025965 /nfs/dbraw/zinc/02/59/65/345025965.db2.gz GLEKIWZLZTWGHG-VHSXEESVSA-N 1 1 199.294 1.692 10 30 ADEEMO C[C@H]1[C@@H](C)SCC[N@H+]1C[C@H]1CO1 301045160 345033175 /nfs/dbraw/zinc/03/31/75/345033175.db2.gz NIQMRXBUSOOOCA-YIZRAAEISA-N 1 1 187.308 1.211 10 30 ADEEMO C[C@H]1SCC[N@@H+](C[C@H]2CO2)[C@@H]1C 301045159 345033249 /nfs/dbraw/zinc/03/32/49/345033249.db2.gz NIQMRXBUSOOOCA-HLTSFMKQSA-N 1 1 187.308 1.211 10 30 ADEEMO C=C[C@@H](C(=O)OC)[N@H+](C)CC1CC1 301047435 345033922 /nfs/dbraw/zinc/03/39/22/345033922.db2.gz POLNKPVMOXPDEE-VIFPVBQESA-N 1 1 183.251 1.056 10 30 ADEEMO C=C[C@@H](C(=O)OC)[N@@H+](C)CC1CC1 301047435 345033927 /nfs/dbraw/zinc/03/39/27/345033927.db2.gz POLNKPVMOXPDEE-VIFPVBQESA-N 1 1 183.251 1.056 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@H+](C)CC1CC1 301047433 345034102 /nfs/dbraw/zinc/03/41/02/345034102.db2.gz POLNKPVMOXPDEE-SECBINFHSA-N 1 1 183.251 1.056 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@@H+](C)CC1CC1 301047433 345034104 /nfs/dbraw/zinc/03/41/04/345034104.db2.gz POLNKPVMOXPDEE-SECBINFHSA-N 1 1 183.251 1.056 10 30 ADEEMO C[C@H]1CC[N@@H+](C[C@H]2CO2)C[C@@H]1C 301051105 345034714 /nfs/dbraw/zinc/03/47/14/345034714.db2.gz TYFJYXOHAABSOU-GUBZILKMSA-N 1 1 169.268 1.363 10 30 ADEEMO C[C@H]1CCC[N@@H+](C[C@H]2CO2)[C@@H]1C 301053071 345034564 /nfs/dbraw/zinc/03/45/64/345034564.db2.gz XLMSHIILYQCZHE-AEJSXWLSSA-N 1 1 169.268 1.506 10 30 ADEEMO C1CC[C@H]2C[N@@H+](C[C@H]3CO3)CC[C@H]2C1 301051349 345034480 /nfs/dbraw/zinc/03/44/80/345034480.db2.gz UHFJDGYACZZOAO-WOPDTQHZSA-N 1 1 195.306 1.897 10 30 ADEEMO C1CC[C@H]2C[N@@H+](C[C@H]3CO3)CC[C@@H]2C1 301051348 345034501 /nfs/dbraw/zinc/03/45/01/345034501.db2.gz UHFJDGYACZZOAO-SRVKXCTJSA-N 1 1 195.306 1.897 10 30 ADEEMO C[C@H]1CCC[N@@H+](C[C@H]2CO2)[C@H]1C 301053072 345034525 /nfs/dbraw/zinc/03/45/25/345034525.db2.gz XLMSHIILYQCZHE-GUBZILKMSA-N 1 1 169.268 1.506 10 30 ADEEMO C[C@H]1CC[N@@H+](C[C@H]2CO2)C[C@H]1C 301051104 345034673 /nfs/dbraw/zinc/03/46/73/345034673.db2.gz TYFJYXOHAABSOU-AEJSXWLSSA-N 1 1 169.268 1.363 10 30 ADEEMO C[C@H]1CC[N@@H+](C[C@@H]2CO2)C[C@H]1C 301051106 345034691 /nfs/dbraw/zinc/03/46/91/345034691.db2.gz TYFJYXOHAABSOU-IVZWLZJFSA-N 1 1 169.268 1.363 10 30 ADEEMO C[C@H]1CCC[N@@H+](C[C@@H]2CO2)[C@H]1C 301053073 345034987 /nfs/dbraw/zinc/03/49/87/345034987.db2.gz XLMSHIILYQCZHE-LPEHRKFASA-N 1 1 169.268 1.506 10 30 ADEEMO C[C@H]1CC[C@@H](C)[N@@H+](C[C@H]2CO2)C1 301053529 345035251 /nfs/dbraw/zinc/03/52/51/345035251.db2.gz YKTWNPRJTQJIFH-AEJSXWLSSA-N 1 1 169.268 1.506 10 30 ADEEMO C[C@H]1CC[N@@H+](C[C@H]2CO2)[C@@H](C)C1 301053879 345035264 /nfs/dbraw/zinc/03/52/64/345035264.db2.gz ZGNDJJPTHXJVIH-GUBZILKMSA-N 1 1 169.268 1.506 10 30 ADEEMO C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](C[C@H]2CO2)C1 301053924 345035290 /nfs/dbraw/zinc/03/52/90/345035290.db2.gz ZKQUTWLWTUJPJM-DBIOUOCHSA-N 1 1 183.295 1.752 10 30 ADEEMO C[C@H]1CC[C@H](C)[N@@H+](C[C@H]2CO2)C1 301053530 345035311 /nfs/dbraw/zinc/03/53/11/345035311.db2.gz YKTWNPRJTQJIFH-GUBZILKMSA-N 1 1 169.268 1.506 10 30 ADEEMO C[C@H]1[C@H](C)C[C@@H](C)C[N@@H+]1C[C@H]1CO1 301053925 345035361 /nfs/dbraw/zinc/03/53/61/345035361.db2.gz ZKQUTWLWTUJPJM-ZNSHCXBVSA-N 1 1 183.295 1.752 10 30 ADEEMO C[C@H]1CC[N@@H+](C[C@H]2CO2)[C@H](C)C1 301053878 345035419 /nfs/dbraw/zinc/03/54/19/345035419.db2.gz ZGNDJJPTHXJVIH-AEJSXWLSSA-N 1 1 169.268 1.506 10 30 ADEEMO C=C(C)[C@@H](CO)[N@@H+]1C[C@@H](C)[C@@H](C)C1 306151011 345040247 /nfs/dbraw/zinc/04/02/47/345040247.db2.gz GFIZNKVNQUEGKL-OUAUKWLOSA-N 1 1 183.295 1.511 10 30 ADEEMO C=C(C)[C@H](CO)[N@@H+]1C[C@@H](C)[C@@H](C)C1 306151002 345040341 /nfs/dbraw/zinc/04/03/41/345040341.db2.gz GFIZNKVNQUEGKL-AXFHLTTASA-N 1 1 183.295 1.511 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCC(F)(F)[C@@H](O)C1 306155856 345047036 /nfs/dbraw/zinc/04/70/36/345047036.db2.gz KGHPUAHGWXLESA-YUMQZZPRSA-N 1 1 191.221 1.263 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCC(F)(F)[C@@H](O)C1 306155853 345047235 /nfs/dbraw/zinc/04/72/35/345047235.db2.gz KGHPUAHGWXLESA-SFYZADRCSA-N 1 1 191.221 1.263 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCC(F)(F)[C@H](O)C1 306155848 345047268 /nfs/dbraw/zinc/04/72/68/345047268.db2.gz KGHPUAHGWXLESA-HTQZYQBOSA-N 1 1 191.221 1.263 10 30 ADEEMO C/C=C/C[C@@]1(C#N)CCC[NH2+]1 306159930 345050216 /nfs/dbraw/zinc/05/02/16/345050216.db2.gz RVGWYSJNASFSCP-HPOULIHZSA-N 1 1 150.225 1.598 10 30 ADEEMO C/C=C/C[C@]1(C#N)CCC[NH2+]1 306159929 345050569 /nfs/dbraw/zinc/05/05/69/345050569.db2.gz RVGWYSJNASFSCP-GKQMSVHHSA-N 1 1 150.225 1.598 10 30 ADEEMO C=C(C)CN1CC[C@]2(CC[NH2+]C2)C1 306164455 345055816 /nfs/dbraw/zinc/05/58/16/345055816.db2.gz AOGQFNVRTXZQPE-NSHDSACASA-N 1 1 180.295 1.248 10 30 ADEEMO C=C(C)CN1CC[C@@]2(CC[NH2+]C2)C1 306164454 345055946 /nfs/dbraw/zinc/05/59/46/345055946.db2.gz AOGQFNVRTXZQPE-LLVKDONJSA-N 1 1 180.295 1.248 10 30 ADEEMO C#CCC[C@]1(C#N)CCC[NH2+]1 306164480 345056033 /nfs/dbraw/zinc/05/60/33/345056033.db2.gz BAYSEHBCGYDXLW-SECBINFHSA-N 1 1 148.209 1.046 10 30 ADEEMO C#CCC[C@@]1(C#N)CCC[NH2+]1 306164481 345056104 /nfs/dbraw/zinc/05/61/04/345056104.db2.gz BAYSEHBCGYDXLW-VIFPVBQESA-N 1 1 148.209 1.046 10 30 ADEEMO C=C[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](OC)C1 306168586 345059766 /nfs/dbraw/zinc/05/97/66/345059766.db2.gz WEINDVPZMIQLHU-VWYCJHECSA-N 1 1 183.295 1.918 10 30 ADEEMO C=C[C@H](C)[N@@H+]1CC[C@H](C)[C@H](OC)C1 306168571 345060071 /nfs/dbraw/zinc/06/00/71/345060071.db2.gz WEINDVPZMIQLHU-GARJFASQSA-N 1 1 183.295 1.918 10 30 ADEEMO C=C[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](OC)C1 306168578 345060114 /nfs/dbraw/zinc/06/01/14/345060114.db2.gz WEINDVPZMIQLHU-OUAUKWLOSA-N 1 1 183.295 1.918 10 30 ADEEMO C[C@@H]1CCC[N@H+]1CC[C@H]1CO1 306179295 345070810 /nfs/dbraw/zinc/07/08/10/345070810.db2.gz GIMJAAIYBLPMCW-BDAKNGLRSA-N 1 1 155.241 1.260 10 30 ADEEMO C[C@H]1CCC[N@H+]1CC[C@@H]1CO1 306179297 345070876 /nfs/dbraw/zinc/07/08/76/345070876.db2.gz GIMJAAIYBLPMCW-DTWKUNHWSA-N 1 1 155.241 1.260 10 30 ADEEMO C[C@H]1CCC[N@H+]1CC[C@H]1CO1 306179300 345070906 /nfs/dbraw/zinc/07/09/06/345070906.db2.gz GIMJAAIYBLPMCW-IUCAKERBSA-N 1 1 155.241 1.260 10 30 ADEEMO C[C@@H]1CCC[N@H+]1CC[C@@H]1CO1 306179302 345070958 /nfs/dbraw/zinc/07/09/58/345070958.db2.gz GIMJAAIYBLPMCW-RKDXNWHRSA-N 1 1 155.241 1.260 10 30 ADEEMO C=CCC[C@]1(C#N)CCC[NH2+]1 306190433 345080699 /nfs/dbraw/zinc/08/06/99/345080699.db2.gz LVUQAVZYAXBTPR-SECBINFHSA-N 1 1 150.225 1.598 10 30 ADEEMO C=CCC[C@@]1(C#N)CCC[NH2+]1 306190434 345080737 /nfs/dbraw/zinc/08/07/37/345080737.db2.gz LVUQAVZYAXBTPR-VIFPVBQESA-N 1 1 150.225 1.598 10 30 ADEEMO CC[C@@H](CC#N)[NH+]1CCC1 306192259 345082380 /nfs/dbraw/zinc/08/23/80/345082380.db2.gz JFNHLUIRHFGULV-QMMMGPOBSA-N 1 1 138.214 1.384 10 30 ADEEMO CC[C@H](CC#N)[NH+]1CCC1 306192258 345082521 /nfs/dbraw/zinc/08/25/21/345082521.db2.gz JFNHLUIRHFGULV-MRVPVSSYSA-N 1 1 138.214 1.384 10 30 ADEEMO C=CC[N@@H+]1CCN[C@@H]2CCCC[C@H]21 306192795 345083004 /nfs/dbraw/zinc/08/30/04/345083004.db2.gz SLDPPYHPHXYQAY-GHMZBOCLSA-N 1 1 180.295 1.389 10 30 ADEEMO C=CC[N@H+]1CCN[C@@H]2CCCC[C@H]21 306192795 345083006 /nfs/dbraw/zinc/08/30/06/345083006.db2.gz SLDPPYHPHXYQAY-GHMZBOCLSA-N 1 1 180.295 1.389 10 30 ADEEMO C=CC[N@@H+]1CCN[C@H]2CCCC[C@H]21 306192807 345083044 /nfs/dbraw/zinc/08/30/44/345083044.db2.gz SLDPPYHPHXYQAY-WDEREUQCSA-N 1 1 180.295 1.389 10 30 ADEEMO C=CC[N@H+]1CCN[C@H]2CCCC[C@H]21 306192807 345083046 /nfs/dbraw/zinc/08/30/46/345083046.db2.gz SLDPPYHPHXYQAY-WDEREUQCSA-N 1 1 180.295 1.389 10 30 ADEEMO N#CC1CC[NH+](CC2(F)CC2)CC1 306211012 345100727 /nfs/dbraw/zinc/10/07/27/345100727.db2.gz DFEFZXDBDHJMRW-UHFFFAOYSA-N 1 1 182.242 1.724 10 30 ADEEMO C=C(C)[C@H]([NH2+]C)C(C)(F)F 306211310 345101305 /nfs/dbraw/zinc/10/13/05/345101305.db2.gz USXJHXRDULRIQN-LURJTMIESA-N 1 1 149.184 1.806 10 30 ADEEMO C=C(C(F)(F)F)[C@@]1(O)CC[N@H+](C)C1 306211183 345101358 /nfs/dbraw/zinc/10/13/58/345101358.db2.gz CMHXBCBKXRIMDZ-SSDOTTSWSA-N 1 1 195.184 1.172 10 30 ADEEMO C=C(C(F)(F)F)[C@]1(O)CC[N@H+](C)C1 306211191 345101401 /nfs/dbraw/zinc/10/14/01/345101401.db2.gz CMHXBCBKXRIMDZ-ZETCQYMHSA-N 1 1 195.184 1.172 10 30 ADEEMO C=C(C)[C@@H]([NH2+]C)C(C)(F)F 306211311 345101484 /nfs/dbraw/zinc/10/14/84/345101484.db2.gz USXJHXRDULRIQN-ZCFIWIBFSA-N 1 1 149.184 1.806 10 30 ADEEMO CCC[N@H+]1CC[C@](O)(C2(C#N)CC2)C1 306212671 345102477 /nfs/dbraw/zinc/10/24/77/345102477.db2.gz VXUHLKYRERJYMH-LLVKDONJSA-N 1 1 194.278 1.137 10 30 ADEEMO CCC[N@H+]1CC[C@@](O)(C2(C#N)CC2)C1 306212673 345102761 /nfs/dbraw/zinc/10/27/61/345102761.db2.gz VXUHLKYRERJYMH-NSHDSACASA-N 1 1 194.278 1.137 10 30 ADEEMO O=CC[N@H+]1C[C@H]2CCCC[C@H]2C1 306218526 345110616 /nfs/dbraw/zinc/11/06/16/345110616.db2.gz OHIOBDQEZRGMJW-AOOOYVTPSA-N 1 1 167.252 1.307 10 30 ADEEMO C=C(CC)C[C@]1(C#N)CCC[NH2+]1 306221994 345114823 /nfs/dbraw/zinc/11/48/23/345114823.db2.gz WVSXCPNKFBCEIG-JTQLQIEISA-N 1 1 164.252 1.988 10 30 ADEEMO C=C(CC)C[C@@]1(C#N)CCC[NH2+]1 306221996 345114928 /nfs/dbraw/zinc/11/49/28/345114928.db2.gz WVSXCPNKFBCEIG-SNVBAGLBSA-N 1 1 164.252 1.988 10 30 ADEEMO C=C1CCC[N@H+](Cc2cc[nH]n2)C1 306223007 345115792 /nfs/dbraw/zinc/11/57/92/345115792.db2.gz REJFBAIIPDPBSR-UHFFFAOYSA-N 1 1 177.251 1.562 10 30 ADEEMO C=C1CCC[N@@H+](Cc2cc[nH]n2)C1 306223007 345115794 /nfs/dbraw/zinc/11/57/94/345115794.db2.gz REJFBAIIPDPBSR-UHFFFAOYSA-N 1 1 177.251 1.562 10 30 ADEEMO Cn1c[nH+]cc1CCCS 306235888 345128857 /nfs/dbraw/zinc/12/88/57/345128857.db2.gz DVFOQWRCLGATPK-UHFFFAOYSA-N 1 1 156.254 1.283 10 30 ADEEMO CC[C@@H]1CC[C@H](C)[N@@H+](C[C@H]2CO2)C1 306241807 345134291 /nfs/dbraw/zinc/13/42/91/345134291.db2.gz RXMOTCGONSIEDC-AXFHLTTASA-N 1 1 183.295 1.896 10 30 ADEEMO C1CC[C@H]2C[N@@H+](C[C@@H]3CO3)C[C@H]2C1 306247790 345139163 /nfs/dbraw/zinc/13/91/63/345139163.db2.gz WOBLVSHTXBDTLM-OUAUKWLOSA-N 1 1 181.279 1.507 10 30 ADEEMO CC#CC[C@H]([NH3+])CN1CCCCCC1 306249791 345141420 /nfs/dbraw/zinc/14/14/20/345141420.db2.gz YDYPVLSZTPHNLW-LBPRGKRZSA-N 1 1 194.322 1.603 10 30 ADEEMO CC#CC[C@@H]([NH3+])CN1CCCCCC1 306249790 345141427 /nfs/dbraw/zinc/14/14/27/345141427.db2.gz YDYPVLSZTPHNLW-GFCCVEGCSA-N 1 1 194.322 1.603 10 30 ADEEMO CC(C)=CC(=O)C[NH+]1CCC1 306251145 345143227 /nfs/dbraw/zinc/14/32/27/345143227.db2.gz ZMFYFDNSSYJYSA-UHFFFAOYSA-N 1 1 153.225 1.227 10 30 ADEEMO CC[C@@H]1CC[C@H](C)[N@@H+](C[C@@H]2CO2)C1 306271288 345159193 /nfs/dbraw/zinc/15/91/93/345159193.db2.gz RXMOTCGONSIEDC-HBNTYKKESA-N 1 1 183.295 1.896 10 30 ADEEMO C=C(C)[C@@H](CO)[N@H+]1CCC[C@H](C)C1 306271340 345159634 /nfs/dbraw/zinc/15/96/34/345159634.db2.gz VONRKVLEJCPWQW-WDEREUQCSA-N 1 1 183.295 1.655 10 30 ADEEMO C=C(C)[C@@H](CO)[N@H+]1CCC[C@@H](C)C1 306271336 345159732 /nfs/dbraw/zinc/15/97/32/345159732.db2.gz VONRKVLEJCPWQW-GHMZBOCLSA-N 1 1 183.295 1.655 10 30 ADEEMO C=C(C)[C@H](CO)[N@H+]1CCC[C@@H](C)C1 306271338 345159853 /nfs/dbraw/zinc/15/98/53/345159853.db2.gz VONRKVLEJCPWQW-MNOVXSKESA-N 1 1 183.295 1.655 10 30 ADEEMO CCC#C[C@H](C)[N@H+]1CC[C@H](OC)C1 306275139 345162759 /nfs/dbraw/zinc/16/27/59/345162759.db2.gz QEWYHYRDBOFHGA-QWRGUYRKSA-N 1 1 181.279 1.509 10 30 ADEEMO CCC#C[C@@H](C)[N@H+]1CC[C@H](OC)C1 306275138 345162841 /nfs/dbraw/zinc/16/28/41/345162841.db2.gz QEWYHYRDBOFHGA-MNOVXSKESA-N 1 1 181.279 1.509 10 30 ADEEMO C#C[C@]1(O)CC[N@H+](CC(C)(C)C)C1 306284046 345168157 /nfs/dbraw/zinc/16/81/57/345168157.db2.gz JBTRBUROESEGGY-NSHDSACASA-N 1 1 181.279 1.103 10 30 ADEEMO C#C[C@@]1(O)CC[N@H+](CC(C)(C)C)C1 306284045 345168165 /nfs/dbraw/zinc/16/81/65/345168165.db2.gz JBTRBUROESEGGY-LLVKDONJSA-N 1 1 181.279 1.103 10 30 ADEEMO C=CC[N@H+]1CCc2nc(C)[nH]c2C1 306291110 345173173 /nfs/dbraw/zinc/17/31/73/345173173.db2.gz SCSVPCLZGRGWIO-UHFFFAOYSA-N 1 1 177.251 1.262 10 30 ADEEMO N#C[C@]1(C/C=C/Cl)CCC[NH2+]1 306295412 345176756 /nfs/dbraw/zinc/17/67/56/345176756.db2.gz IOCOZFHZGGRTRG-GINQSWSWSA-N 1 1 170.643 1.775 10 30 ADEEMO N#C[C@@]1(C/C=C/Cl)CCC[NH2+]1 306295413 345176775 /nfs/dbraw/zinc/17/67/75/345176775.db2.gz IOCOZFHZGGRTRG-VRFQNRHZSA-N 1 1 170.643 1.775 10 30 ADEEMO CC[C@]([NH3+])(C#N)[C@@H]1C[C@H]1C 306297060 345177786 /nfs/dbraw/zinc/17/77/86/345177786.db2.gz BRVGAMQCSSOOFG-PRJMDXOYSA-N 1 1 138.214 1.273 10 30 ADEEMO CC[C@]([NH3+])(C#N)[C@@H]1C[C@@H]1C 306297061 345177871 /nfs/dbraw/zinc/17/78/71/345177871.db2.gz BRVGAMQCSSOOFG-RNJXMRFFSA-N 1 1 138.214 1.273 10 30 ADEEMO CC[C@]([NH3+])(C#N)[C@H]1C[C@H]1C 306297058 345178114 /nfs/dbraw/zinc/17/81/14/345178114.db2.gz BRVGAMQCSSOOFG-CSMHCCOUSA-N 1 1 138.214 1.273 10 30 ADEEMO CC[C@]([NH3+])(C#N)[C@H]1C[C@@H]1C 306297059 345178131 /nfs/dbraw/zinc/17/81/31/345178131.db2.gz BRVGAMQCSSOOFG-FXQIFTODSA-N 1 1 138.214 1.273 10 30 ADEEMO CC#CC[N@@H+](C)C[C@H]1CCCO1 306303802 345183671 /nfs/dbraw/zinc/18/36/71/345183671.db2.gz BULXTUATZGXTMO-SNVBAGLBSA-N 1 1 167.252 1.121 10 30 ADEEMO N#CCC[NH+]1CC(C2CC2)C1 306306819 345186853 /nfs/dbraw/zinc/18/68/53/345186853.db2.gz FTRMYJQLAOIILB-UHFFFAOYSA-N 1 1 150.225 1.242 10 30 ADEEMO O=CC[N@H+]1CCC2(CCCCC2)C1 306308046 345187557 /nfs/dbraw/zinc/18/75/57/345187557.db2.gz RIFUZCOCPNBGBH-UHFFFAOYSA-N 1 1 181.279 1.842 10 30 ADEEMO N#CCC[N@@H+]1CCC[C@]12CCOC2 306310079 345189315 /nfs/dbraw/zinc/18/93/15/345189315.db2.gz VNGYBDAOXPDWFB-SNVBAGLBSA-N 1 1 180.251 1.155 10 30 ADEEMO N#CCC[N@H+]1CCC[C@]12CCOC2 306310079 345189319 /nfs/dbraw/zinc/18/93/19/345189319.db2.gz VNGYBDAOXPDWFB-SNVBAGLBSA-N 1 1 180.251 1.155 10 30 ADEEMO N#CCC[N@@H+]1CCC[C@@]12CCOC2 306310078 345189464 /nfs/dbraw/zinc/18/94/64/345189464.db2.gz VNGYBDAOXPDWFB-JTQLQIEISA-N 1 1 180.251 1.155 10 30 ADEEMO N#CCC[N@H+]1CCC[C@@]12CCOC2 306310078 345189466 /nfs/dbraw/zinc/18/94/66/345189466.db2.gz VNGYBDAOXPDWFB-JTQLQIEISA-N 1 1 180.251 1.155 10 30 ADEEMO C#CCC[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 306312618 345191389 /nfs/dbraw/zinc/19/13/89/345191389.db2.gz DTOZEDAQMJSAGS-JTQLQIEISA-N 1 1 180.295 1.069 10 30 ADEEMO C#CCC[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 306312622 345191620 /nfs/dbraw/zinc/19/16/20/345191620.db2.gz DTOZEDAQMJSAGS-SNVBAGLBSA-N 1 1 180.295 1.069 10 30 ADEEMO C[C@@H](CC#N)[N@H+]1CCCOC(C)(C)C1 306313169 345191911 /nfs/dbraw/zinc/19/19/11/345191911.db2.gz LOJVBOAAAKMJPC-JTQLQIEISA-N 1 1 196.294 1.789 10 30 ADEEMO C[C@H](CC#N)[N@H+]1CCCOC(C)(C)C1 306313171 345192129 /nfs/dbraw/zinc/19/21/29/345192129.db2.gz LOJVBOAAAKMJPC-SNVBAGLBSA-N 1 1 196.294 1.789 10 30 ADEEMO C1C[C@H]2[C@H](C1)CC[N@@H+]2C[C@@H]1CO1 306322826 345201093 /nfs/dbraw/zinc/20/10/93/345201093.db2.gz UXXDTSOINGISPI-BBBLOLIVSA-N 1 1 167.252 1.260 10 30 ADEEMO C1C[C@@H]2CC[N@H+](C[C@@H]3CO3)[C@@H]2C1 306322829 345200839 /nfs/dbraw/zinc/20/08/39/345200839.db2.gz UXXDTSOINGISPI-OPRDCNLKSA-N 1 1 167.252 1.260 10 30 ADEEMO C1C[C@H]2CC[N@H+](C[C@@H]3CO3)[C@H]2C1 306322825 345201015 /nfs/dbraw/zinc/20/10/15/345201015.db2.gz UXXDTSOINGISPI-AEJSXWLSSA-N 1 1 167.252 1.260 10 30 ADEEMO C1C[C@H]2CC[N@H+](C[C@@H]3CO3)[C@@H]2C1 306322827 345201034 /nfs/dbraw/zinc/20/10/34/345201034.db2.gz UXXDTSOINGISPI-IVZWLZJFSA-N 1 1 167.252 1.260 10 30 ADEEMO CO[C@]1(C)CC[N@@H+](CCS)C1 306339821 345214755 /nfs/dbraw/zinc/21/47/55/345214755.db2.gz ZZCNZDQIPVLEKJ-MRVPVSSYSA-N 1 1 175.297 1.027 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCO[C@@H](C)C1 306346694 345220616 /nfs/dbraw/zinc/22/06/16/345220616.db2.gz QEAOSROQNMBACO-IUCAKERBSA-N 1 1 155.241 1.282 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCO[C@@H](C)C1 306346693 345220852 /nfs/dbraw/zinc/22/08/52/345220852.db2.gz QEAOSROQNMBACO-BDAKNGLRSA-N 1 1 155.241 1.282 10 30 ADEEMO N#C[C@H](N)C[NH+]1CCCCCCCC1 306349676 345223416 /nfs/dbraw/zinc/22/34/16/345223416.db2.gz UWYAQTHNUXVMSN-NSHDSACASA-N 1 1 195.310 1.493 10 30 ADEEMO N#C[C@@H](N)C[NH+]1CCCCCCCC1 306349675 345223535 /nfs/dbraw/zinc/22/35/35/345223535.db2.gz UWYAQTHNUXVMSN-LLVKDONJSA-N 1 1 195.310 1.493 10 30 ADEEMO CO/[NH+]=C/c1ccc(N)cc1Cl 306351788 345224606 /nfs/dbraw/zinc/22/46/06/345224606.db2.gz YAEDGUDHCUKBDZ-VZUCSPMQSA-N 1 1 184.626 1.903 10 30 ADEEMO C=CC[N@@H+]1CCC1(C)C 306361784 345231877 /nfs/dbraw/zinc/23/18/77/345231877.db2.gz QEKIJXHHSCPDMV-UHFFFAOYSA-N 1 1 125.215 1.657 10 30 ADEEMO C[C@@H]1CC[N@@H+](CC(C)(C)C#N)C1 306364608 345234561 /nfs/dbraw/zinc/23/45/61/345234561.db2.gz DVZRKWYTTFYXRF-SECBINFHSA-N 1 1 166.268 1.878 10 30 ADEEMO C[C@H]1CC[N@@H+](CC(C)(C)C#N)C1 306364618 345234611 /nfs/dbraw/zinc/23/46/11/345234611.db2.gz DVZRKWYTTFYXRF-VIFPVBQESA-N 1 1 166.268 1.878 10 30 ADEEMO CC[C@H](C)[C@]1(C#N)CCC[NH2+]1 306368001 345237058 /nfs/dbraw/zinc/23/70/58/345237058.db2.gz BOBRAOBAVZKNDJ-DTWKUNHWSA-N 1 1 152.241 1.678 10 30 ADEEMO CC[C@@H](C)[C@]1(C#N)CCC[NH2+]1 306368004 345237242 /nfs/dbraw/zinc/23/72/42/345237242.db2.gz BOBRAOBAVZKNDJ-RKDXNWHRSA-N 1 1 152.241 1.678 10 30 ADEEMO CC[C@H](C)[C@@]1(C#N)CCC[NH2+]1 306368002 345237346 /nfs/dbraw/zinc/23/73/46/345237346.db2.gz BOBRAOBAVZKNDJ-IUCAKERBSA-N 1 1 152.241 1.678 10 30 ADEEMO CC[C@@H](C)[C@@]1(C#N)CCC[NH2+]1 306367999 345237458 /nfs/dbraw/zinc/23/74/58/345237458.db2.gz BOBRAOBAVZKNDJ-BDAKNGLRSA-N 1 1 152.241 1.678 10 30 ADEEMO C#CC(=O)C[NH+]1CCCCCC1 306368205 345237749 /nfs/dbraw/zinc/23/77/49/345237749.db2.gz JIOQCLOMQLMFDA-UHFFFAOYSA-N 1 1 165.236 1.065 10 30 ADEEMO CC(=[NH2+])NN=Cc1ccccc1O 306385331 345250448 /nfs/dbraw/zinc/25/04/48/345250448.db2.gz FTKHKNYKOPXWRA-IZZDOVSWSA-N 1 1 177.207 1.103 10 30 ADEEMO CC(C)[C@@H](C)[C@]1(C#N)CCC[NH2+]1 306388720 345252568 /nfs/dbraw/zinc/25/25/68/345252568.db2.gz PCHOIHIFXNAXPD-NXEZZACHSA-N 1 1 166.268 1.924 10 30 ADEEMO CC(C)[C@H](C)[C@]1(C#N)CCC[NH2+]1 306388722 345252629 /nfs/dbraw/zinc/25/26/29/345252629.db2.gz PCHOIHIFXNAXPD-VHSXEESVSA-N 1 1 166.268 1.924 10 30 ADEEMO CC(C)[C@@H](C)[C@@]1(C#N)CCC[NH2+]1 306388723 345252711 /nfs/dbraw/zinc/25/27/11/345252711.db2.gz PCHOIHIFXNAXPD-ZJUUUORDSA-N 1 1 166.268 1.924 10 30 ADEEMO CC(C)[C@H](C)[C@@]1(C#N)CCC[NH2+]1 306388721 345252748 /nfs/dbraw/zinc/25/27/48/345252748.db2.gz PCHOIHIFXNAXPD-UWVGGRQHSA-N 1 1 166.268 1.924 10 30 ADEEMO C[C@H]1CC[N@@H+](CC[C@H]2CO2)C1 306394107 345256269 /nfs/dbraw/zinc/25/62/69/345256269.db2.gz LOCVLGODFXQPCG-IUCAKERBSA-N 1 1 155.241 1.117 10 30 ADEEMO C[C@@H]1CC[N@@H+](CC[C@H]2CO2)C1 306394105 345256407 /nfs/dbraw/zinc/25/64/07/345256407.db2.gz LOCVLGODFXQPCG-BDAKNGLRSA-N 1 1 155.241 1.117 10 30 ADEEMO C[C@H]1CC[N@@H+](CC[C@@H]2CO2)C1 306394106 345256446 /nfs/dbraw/zinc/25/64/46/345256446.db2.gz LOCVLGODFXQPCG-DTWKUNHWSA-N 1 1 155.241 1.117 10 30 ADEEMO C[C@@H]1CC[N@@H+](CC[C@@H]2CO2)C1 306394108 345256556 /nfs/dbraw/zinc/25/65/56/345256556.db2.gz LOCVLGODFXQPCG-RKDXNWHRSA-N 1 1 155.241 1.117 10 30 ADEEMO N#C[C@@]1([C@H]2C=CCCC2)CCC[NH2+]1 306406425 345266244 /nfs/dbraw/zinc/26/62/44/345266244.db2.gz WGJQELQLQMNQEV-WDEREUQCSA-N 1 1 176.263 1.988 10 30 ADEEMO N#C[C@]1([C@@H]2C=CCCC2)CCC[NH2+]1 306406423 345266376 /nfs/dbraw/zinc/26/63/76/345266376.db2.gz WGJQELQLQMNQEV-MNOVXSKESA-N 1 1 176.263 1.988 10 30 ADEEMO N#C[C@]1([C@H]2C=CCCC2)CCC[NH2+]1 306406424 345266505 /nfs/dbraw/zinc/26/65/05/345266505.db2.gz WGJQELQLQMNQEV-QWRGUYRKSA-N 1 1 176.263 1.988 10 30 ADEEMO N#C[C@@]1([C@@H]2C=CCCC2)CCC[NH2+]1 306406422 345266600 /nfs/dbraw/zinc/26/66/00/345266600.db2.gz WGJQELQLQMNQEV-GHMZBOCLSA-N 1 1 176.263 1.988 10 30 ADEEMO C1CC[C@H]2C[N@@H+](C[C@H]3CO3)C[C@H]2C1 306419063 345276503 /nfs/dbraw/zinc/27/65/03/345276503.db2.gz WOBLVSHTXBDTLM-AXFHLTTASA-N 1 1 181.279 1.507 10 30 ADEEMO C=C1CC[NH+](CC2OCCO2)CC1 306422374 345279925 /nfs/dbraw/zinc/27/99/25/345279925.db2.gz HQQHFUSSCMRLPW-UHFFFAOYSA-N 1 1 183.251 1.011 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCCOCC1 306426115 345283563 /nfs/dbraw/zinc/28/35/63/345283563.db2.gz JYIDCMDTUYUMNO-SECBINFHSA-N 1 1 155.241 1.283 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCN(C)CC[C@H]1C 306427181 345284002 /nfs/dbraw/zinc/28/40/02/345284002.db2.gz KTSLAIPMWZAXKB-WDEREUQCSA-N 1 1 182.311 1.587 10 30 ADEEMO C=C[C@H](C)N1CC[N@H+](C)CC[C@H]1C 306427181 345284005 /nfs/dbraw/zinc/28/40/05/345284005.db2.gz KTSLAIPMWZAXKB-WDEREUQCSA-N 1 1 182.311 1.587 10 30 ADEEMO C=C[C@H](C)N1CC[N@@H+](C)CC[C@H]1C 306427181 345284007 /nfs/dbraw/zinc/28/40/07/345284007.db2.gz KTSLAIPMWZAXKB-WDEREUQCSA-N 1 1 182.311 1.587 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCN(C)CC[C@H]1C 306427175 345284105 /nfs/dbraw/zinc/28/41/05/345284105.db2.gz KTSLAIPMWZAXKB-GHMZBOCLSA-N 1 1 182.311 1.587 10 30 ADEEMO C=C[C@@H](C)N1CC[N@H+](C)CC[C@H]1C 306427175 345284107 /nfs/dbraw/zinc/28/41/07/345284107.db2.gz KTSLAIPMWZAXKB-GHMZBOCLSA-N 1 1 182.311 1.587 10 30 ADEEMO C=C[C@@H](C)N1CC[N@@H+](C)CC[C@H]1C 306427175 345284109 /nfs/dbraw/zinc/28/41/09/345284109.db2.gz KTSLAIPMWZAXKB-GHMZBOCLSA-N 1 1 182.311 1.587 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCN(C)CC[C@@H]1C 306427177 345284163 /nfs/dbraw/zinc/28/41/63/345284163.db2.gz KTSLAIPMWZAXKB-MNOVXSKESA-N 1 1 182.311 1.587 10 30 ADEEMO C=C[C@@H](C)N1CC[N@H+](C)CC[C@@H]1C 306427177 345284164 /nfs/dbraw/zinc/28/41/64/345284164.db2.gz KTSLAIPMWZAXKB-MNOVXSKESA-N 1 1 182.311 1.587 10 30 ADEEMO C=C[C@@H](C)N1CC[N@@H+](C)CC[C@@H]1C 306427177 345284167 /nfs/dbraw/zinc/28/41/67/345284167.db2.gz KTSLAIPMWZAXKB-MNOVXSKESA-N 1 1 182.311 1.587 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCN(C)CC[C@@H]1C 306427179 345284180 /nfs/dbraw/zinc/28/41/80/345284180.db2.gz KTSLAIPMWZAXKB-QWRGUYRKSA-N 1 1 182.311 1.587 10 30 ADEEMO C=C[C@H](C)N1CC[N@H+](C)CC[C@@H]1C 306427179 345284181 /nfs/dbraw/zinc/28/41/81/345284181.db2.gz KTSLAIPMWZAXKB-QWRGUYRKSA-N 1 1 182.311 1.587 10 30 ADEEMO C=C[C@H](C)N1CC[N@@H+](C)CC[C@@H]1C 306427179 345284183 /nfs/dbraw/zinc/28/41/83/345284183.db2.gz KTSLAIPMWZAXKB-QWRGUYRKSA-N 1 1 182.311 1.587 10 30 ADEEMO CC[C@H](C#N)[C@H](C)[NH+]1CCSCC1 306432897 345292324 /nfs/dbraw/zinc/29/23/24/345292324.db2.gz VCHLBZMKTFAXMP-VHSXEESVSA-N 1 1 198.335 1.973 10 30 ADEEMO C[C@H]1C[N@H+](CC(C)(C)C#N)CCS1 306433167 345292329 /nfs/dbraw/zinc/29/23/29/345292329.db2.gz VYWWNGZLDKRHGJ-VIFPVBQESA-N 1 1 198.335 1.973 10 30 ADEEMO C[C@H]1C[N@@H+](CC(C)(C)C#N)CCS1 306433167 345292331 /nfs/dbraw/zinc/29/23/31/345292331.db2.gz VYWWNGZLDKRHGJ-VIFPVBQESA-N 1 1 198.335 1.973 10 30 ADEEMO CC[C@@H](C#N)[C@H](C)[NH+]1CCSCC1 306432896 345292345 /nfs/dbraw/zinc/29/23/45/345292345.db2.gz VCHLBZMKTFAXMP-UWVGGRQHSA-N 1 1 198.335 1.973 10 30 ADEEMO C[C@@H]1C[N@H+](CC(C)(C)C#N)CCS1 306433166 345292400 /nfs/dbraw/zinc/29/24/00/345292400.db2.gz VYWWNGZLDKRHGJ-SECBINFHSA-N 1 1 198.335 1.973 10 30 ADEEMO C[C@@H]1C[N@@H+](CC(C)(C)C#N)CCS1 306433166 345292401 /nfs/dbraw/zinc/29/24/01/345292401.db2.gz VYWWNGZLDKRHGJ-SECBINFHSA-N 1 1 198.335 1.973 10 30 ADEEMO CC[C@H](C#N)[C@@H](C)[NH+]1CCSCC1 306432895 345292484 /nfs/dbraw/zinc/29/24/84/345292484.db2.gz VCHLBZMKTFAXMP-NXEZZACHSA-N 1 1 198.335 1.973 10 30 ADEEMO C[C@@H]1CCCC[N@H+]1CC[C@H]1CO1 306434082 345293752 /nfs/dbraw/zinc/29/37/52/345293752.db2.gz YXFKYQBKXZZOKL-ZJUUUORDSA-N 1 1 169.268 1.650 10 30 ADEEMO C[C@H]1CCCC[N@H+]1CC[C@@H]1CO1 306434081 345293888 /nfs/dbraw/zinc/29/38/88/345293888.db2.gz YXFKYQBKXZZOKL-VHSXEESVSA-N 1 1 169.268 1.650 10 30 ADEEMO C[C@H]1CCCC[N@H+]1CC[C@H]1CO1 306434080 345293904 /nfs/dbraw/zinc/29/39/04/345293904.db2.gz YXFKYQBKXZZOKL-UWVGGRQHSA-N 1 1 169.268 1.650 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CC[C@@](C)(F)C1 306437304 345297453 /nfs/dbraw/zinc/29/74/53/345297453.db2.gz FFOLDGZMPCPWSE-RKDXNWHRSA-N 1 1 157.232 1.995 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)CC1CCC1 306437371 345297537 /nfs/dbraw/zinc/29/75/37/345297537.db2.gz FLOAMNRIORKZOH-SECBINFHSA-N 1 1 151.253 1.740 10 30 ADEEMO C=C[C@H](C)[N@H+]1CC[C@@](C)(F)C1 306437298 345297586 /nfs/dbraw/zinc/29/75/86/345297586.db2.gz FFOLDGZMPCPWSE-DTWKUNHWSA-N 1 1 157.232 1.995 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CC[C@](C)(F)C1 306437296 345297607 /nfs/dbraw/zinc/29/76/07/345297607.db2.gz FFOLDGZMPCPWSE-BDAKNGLRSA-N 1 1 157.232 1.995 10 30 ADEEMO C=C[C@H](C)[N@H+]1CC[C@](C)(F)C1 306437301 345297662 /nfs/dbraw/zinc/29/76/62/345297662.db2.gz FFOLDGZMPCPWSE-IUCAKERBSA-N 1 1 157.232 1.995 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)CC1CCC1 306437372 345297674 /nfs/dbraw/zinc/29/76/74/345297674.db2.gz FLOAMNRIORKZOH-VIFPVBQESA-N 1 1 151.253 1.740 10 30 ADEEMO N[NH+]=C(N)c1cc(F)ccc1Cl 306440755 345301363 /nfs/dbraw/zinc/30/13/63/345301363.db2.gz KUAWDPSKJCDWRN-UHFFFAOYSA-N 1 1 187.605 1.058 10 30 ADEEMO C=C[C@@H](CO)Nc1cc(C)[nH+]c(C)n1 306443963 345304177 /nfs/dbraw/zinc/30/41/77/345304177.db2.gz QXVSGGKGBADVKV-VIFPVBQESA-N 1 1 193.250 1.052 10 30 ADEEMO C#CC(C)(C)[NH2+]Cc1cnns1 306447397 345307333 /nfs/dbraw/zinc/30/73/33/345307333.db2.gz DUUHACIZUWJMLK-UHFFFAOYSA-N 1 1 181.264 1.040 10 30 ADEEMO C#CCC[N@H+]1CC[C@H](C2CC2)C1 306447454 345307396 /nfs/dbraw/zinc/30/73/96/345307396.db2.gz DYRKUAWATXOTHH-NSHDSACASA-N 1 1 163.264 1.742 10 30 ADEEMO C#CCC[N@H+]1CC[C@@H](C2CC2)C1 306447451 345307659 /nfs/dbraw/zinc/30/76/59/345307659.db2.gz DYRKUAWATXOTHH-LLVKDONJSA-N 1 1 163.264 1.742 10 30 ADEEMO Cc1[nH+]cc(C[C@@H](C)C=O)n1C 306451989 345312121 /nfs/dbraw/zinc/31/21/21/345312121.db2.gz TYCPGFRTEBSFQL-SSDOTTSWSA-N 1 1 166.224 1.106 10 30 ADEEMO Cc1[nH+]cc(C[C@H](C)C=O)n1C 306451990 345312304 /nfs/dbraw/zinc/31/23/04/345312304.db2.gz TYCPGFRTEBSFQL-ZETCQYMHSA-N 1 1 166.224 1.106 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)CC1(F)CC1 306459527 345318775 /nfs/dbraw/zinc/31/87/75/345318775.db2.gz GXSHXFKKEMYAED-MRVPVSSYSA-N 1 1 155.216 1.442 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)CC1(F)CC1 306459529 345318818 /nfs/dbraw/zinc/31/88/18/345318818.db2.gz GXSHXFKKEMYAED-QMMMGPOBSA-N 1 1 155.216 1.442 10 30 ADEEMO C=C(C)C[C@@]1(C#N)CCC[NH2+]1 306460698 345319663 /nfs/dbraw/zinc/31/96/63/345319663.db2.gz HTEBXPPLRYVNQW-SECBINFHSA-N 1 1 150.225 1.598 10 30 ADEEMO C=C(C)C[C@]1(C#N)CCC[NH2+]1 306460709 345319731 /nfs/dbraw/zinc/31/97/31/345319731.db2.gz HTEBXPPLRYVNQW-VIFPVBQESA-N 1 1 150.225 1.598 10 30 ADEEMO Cc1ccc(/[NH+]=C/N(C)C)c(O)c1 306461312 345320526 /nfs/dbraw/zinc/32/05/26/345320526.db2.gz FRWFXSUGEOJBMA-YRNVUSSQSA-N 1 1 178.235 1.922 10 30 ADEEMO C=C[C@@H](C)[N@@H+]1C[C@@H]2CN(C)C[C@@H]2C1 306465263 345326221 /nfs/dbraw/zinc/32/62/21/345326221.db2.gz BBDKFTGFZAVMMD-MXWKQRLJSA-N 1 1 180.295 1.054 10 30 ADEEMO C=C[C@@H](C)[N@H+]1C[C@@H]2CN(C)C[C@@H]2C1 306465263 345326223 /nfs/dbraw/zinc/32/62/23/345326223.db2.gz BBDKFTGFZAVMMD-MXWKQRLJSA-N 1 1 180.295 1.054 10 30 ADEEMO CSCC[C@@]1(C#N)CCC[NH2+]1 306466343 345327194 /nfs/dbraw/zinc/32/71/94/345327194.db2.gz PJNKPCUPRMIEIJ-MRVPVSSYSA-N 1 1 170.281 1.385 10 30 ADEEMO CSCC[C@]1(C#N)CCC[NH2+]1 306466344 345327249 /nfs/dbraw/zinc/32/72/49/345327249.db2.gz PJNKPCUPRMIEIJ-QMMMGPOBSA-N 1 1 170.281 1.385 10 30 ADEEMO CC1(C)C[N@@H+](CC[C@H]2CO2)CCCO1 306467200 345328436 /nfs/dbraw/zinc/32/84/36/345328436.db2.gz LQWATQCHKUNHQU-JTQLQIEISA-N 1 1 199.294 1.276 10 30 ADEEMO CC1(C)C[N@@H+](CC[C@@H]2CO2)CCCO1 306467201 345328772 /nfs/dbraw/zinc/32/87/72/345328772.db2.gz LQWATQCHKUNHQU-SNVBAGLBSA-N 1 1 199.294 1.276 10 30 ADEEMO C=C[C@@H](C)c1noc([C@@H](C)[NH3+])n1 306469621 345332217 /nfs/dbraw/zinc/33/22/17/345332217.db2.gz PPTXQAXWQFNDJU-PHDIDXHHSA-N 1 1 167.212 1.379 10 30 ADEEMO C=C[C@H](C)c1noc([C@@H](C)[NH3+])n1 306469619 345332238 /nfs/dbraw/zinc/33/22/38/345332238.db2.gz PPTXQAXWQFNDJU-NTSWFWBYSA-N 1 1 167.212 1.379 10 30 ADEEMO C=C[C@@H](C)c1noc([C@H](C)[NH3+])n1 306469623 345332556 /nfs/dbraw/zinc/33/25/56/345332556.db2.gz PPTXQAXWQFNDJU-RITPCOANSA-N 1 1 167.212 1.379 10 30 ADEEMO C=C[C@H](C)c1noc([C@H](C)[NH3+])n1 306469625 345332594 /nfs/dbraw/zinc/33/25/94/345332594.db2.gz PPTXQAXWQFNDJU-WDSKDSINSA-N 1 1 167.212 1.379 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CC[C@](O)(CC)C1 306472184 345335632 /nfs/dbraw/zinc/33/56/32/345335632.db2.gz BTSJZWMEPGORMF-NXEZZACHSA-N 1 1 169.268 1.408 10 30 ADEEMO C=C[C@H](C)[N@H+]1CC[C@@](O)(CC)C1 306472187 345335782 /nfs/dbraw/zinc/33/57/82/345335782.db2.gz BTSJZWMEPGORMF-UWVGGRQHSA-N 1 1 169.268 1.408 10 30 ADEEMO C=C[C@H](C)[N@H+]1CC[C@](O)(CC)C1 306472189 345335952 /nfs/dbraw/zinc/33/59/52/345335952.db2.gz BTSJZWMEPGORMF-VHSXEESVSA-N 1 1 169.268 1.408 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CC[C@@](O)(CC)C1 306472191 345335959 /nfs/dbraw/zinc/33/59/59/345335959.db2.gz BTSJZWMEPGORMF-ZJUUUORDSA-N 1 1 169.268 1.408 10 30 ADEEMO C=C[C@@H](C)[N@@H+](C)C1CC1 306472527 345336404 /nfs/dbraw/zinc/33/64/04/345336404.db2.gz FEAZWRLGTDHYTD-SSDOTTSWSA-N 1 1 125.215 1.655 10 30 ADEEMO C=C[C@H](C)[N@@H+](C)C1CC1 306472528 345336416 /nfs/dbraw/zinc/33/64/16/345336416.db2.gz FEAZWRLGTDHYTD-ZETCQYMHSA-N 1 1 125.215 1.655 10 30 ADEEMO C=C[C@@H](C)C[N@@H+](C)CC1OCCO1 306482045 345350190 /nfs/dbraw/zinc/35/01/90/345350190.db2.gz KOKYTGAIACJAKR-SECBINFHSA-N 1 1 185.267 1.113 10 30 ADEEMO C=C[C@H](C)C[N@@H+](C)CC1OCCO1 306482047 345350577 /nfs/dbraw/zinc/35/05/77/345350577.db2.gz KOKYTGAIACJAKR-VIFPVBQESA-N 1 1 185.267 1.113 10 30 ADEEMO C=CC[N@@H+]1CC[C@@H]1CC 306482882 345351228 /nfs/dbraw/zinc/35/12/28/345351228.db2.gz OKNKOWHQQFVMMD-QMMMGPOBSA-N 1 1 125.215 1.657 10 30 ADEEMO C=CC[N@@H+]1CC[C@H]1CC 306482881 345351488 /nfs/dbraw/zinc/35/14/88/345351488.db2.gz OKNKOWHQQFVMMD-MRVPVSSYSA-N 1 1 125.215 1.657 10 30 ADEEMO Cc1cc(NC2=[NH+]CCC2)[nH]n1 306482977 345351960 /nfs/dbraw/zinc/35/19/60/345351960.db2.gz KAMFOUWZSKPTPB-UHFFFAOYSA-N 1 1 164.212 1.132 10 30 ADEEMO C#CC[N@@H+](C)[C@@H](C)c1cnn(C)c1 306483601 345352316 /nfs/dbraw/zinc/35/23/16/345352316.db2.gz LQWKCCLHPPECBN-VIFPVBQESA-N 1 1 177.251 1.046 10 30 ADEEMO C#CC[N@H+](C)[C@@H](C)c1cnn(C)c1 306483601 345352317 /nfs/dbraw/zinc/35/23/17/345352317.db2.gz LQWKCCLHPPECBN-VIFPVBQESA-N 1 1 177.251 1.046 10 30 ADEEMO C#CC[N@@H+](C)[C@H](C)c1cnn(C)c1 306483600 345352375 /nfs/dbraw/zinc/35/23/75/345352375.db2.gz LQWKCCLHPPECBN-SECBINFHSA-N 1 1 177.251 1.046 10 30 ADEEMO C#CC[N@H+](C)[C@H](C)c1cnn(C)c1 306483600 345352376 /nfs/dbraw/zinc/35/23/76/345352376.db2.gz LQWKCCLHPPECBN-SECBINFHSA-N 1 1 177.251 1.046 10 30 ADEEMO C=CC[N@H+]1CC[C@@H](N2CC=CC2)C1 306484595 345353902 /nfs/dbraw/zinc/35/39/02/345353902.db2.gz GKHVIAVACRPROP-LLVKDONJSA-N 1 1 178.279 1.119 10 30 ADEEMO C=CCN1CC[C@@H]([NH+]2CC=CC2)C1 306484595 345353903 /nfs/dbraw/zinc/35/39/03/345353903.db2.gz GKHVIAVACRPROP-LLVKDONJSA-N 1 1 178.279 1.119 10 30 ADEEMO C=CC[N@H+]1CC[C@H](N2CC=CC2)C1 306484596 345353985 /nfs/dbraw/zinc/35/39/85/345353985.db2.gz GKHVIAVACRPROP-NSHDSACASA-N 1 1 178.279 1.119 10 30 ADEEMO C=CCN1CC[C@H]([NH+]2CC=CC2)C1 306484596 345353986 /nfs/dbraw/zinc/35/39/86/345353986.db2.gz GKHVIAVACRPROP-NSHDSACASA-N 1 1 178.279 1.119 10 30 ADEEMO CC#CC[N@H+]1[C@@H](C)C[C@H]1C 306486551 345356574 /nfs/dbraw/zinc/35/65/74/345356574.db2.gz XSSZCABWXHXQRF-DTORHVGOSA-N 1 1 137.226 1.492 10 30 ADEEMO C=C(C)[C@@H](CO)[N@H+]1CCC(C)(C)C1 306487918 345358595 /nfs/dbraw/zinc/35/85/95/345358595.db2.gz JUMBZRKVJSDTAW-SNVBAGLBSA-N 1 1 183.295 1.655 10 30 ADEEMO C=C(C)[C@H](CO)[N@H+]1CCC(C)(C)C1 306487917 345358445 /nfs/dbraw/zinc/35/84/45/345358445.db2.gz JUMBZRKVJSDTAW-JTQLQIEISA-N 1 1 183.295 1.655 10 30 ADEEMO C=C[C@H](C)[NH2+][C@@H]1CCCO[C@@H]1C#N 306488233 345358916 /nfs/dbraw/zinc/35/89/16/345358916.db2.gz JUSVZTXRJUOCTD-IVZWLZJFSA-N 1 1 180.251 1.222 10 30 ADEEMO C=C[C@H](C)[NH2+][C@@H]1CCCO[C@H]1C#N 306488230 345358926 /nfs/dbraw/zinc/35/89/26/345358926.db2.gz JUSVZTXRJUOCTD-AEJSXWLSSA-N 1 1 180.251 1.222 10 30 ADEEMO C=C[C@H](C)[NH2+][C@H]1CCCO[C@H]1C#N 306488232 345358938 /nfs/dbraw/zinc/35/89/38/345358938.db2.gz JUSVZTXRJUOCTD-GUBZILKMSA-N 1 1 180.251 1.222 10 30 ADEEMO C=C[C@H](C)[NH2+][C@H]1CCCO[C@@H]1C#N 306488234 345359177 /nfs/dbraw/zinc/35/91/77/345359177.db2.gz JUSVZTXRJUOCTD-LPEHRKFASA-N 1 1 180.251 1.222 10 30 ADEEMO CC#CC[N@H+]1CC[C@H](OC(F)F)C1 306488672 345359511 /nfs/dbraw/zinc/35/95/11/345359511.db2.gz KPEIBDJROVXKPH-QMMMGPOBSA-N 1 1 189.205 1.323 10 30 ADEEMO CC#CC[N@@H+]1CC[C@@H]1CC 306489023 345360050 /nfs/dbraw/zinc/36/00/50/345360050.db2.gz LNDIZQVNIQICPP-VIFPVBQESA-N 1 1 137.226 1.494 10 30 ADEEMO CC#CC[N@@H+]1CC[C@H]1CC 306489021 345360139 /nfs/dbraw/zinc/36/01/39/345360139.db2.gz LNDIZQVNIQICPP-SECBINFHSA-N 1 1 137.226 1.494 10 30 ADEEMO C=C1CCC[N@@H+](Cc2c[nH]cn2)C1 306495749 345369319 /nfs/dbraw/zinc/36/93/19/345369319.db2.gz VZCDQTWYPUCOMP-UHFFFAOYSA-N 1 1 177.251 1.562 10 30 ADEEMO C=C1CCC[N@H+](Cc2c[nH]cn2)C1 306495749 345369317 /nfs/dbraw/zinc/36/93/17/345369317.db2.gz VZCDQTWYPUCOMP-UHFFFAOYSA-N 1 1 177.251 1.562 10 30 ADEEMO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCCO[C@H]1C#N 306497489 345371556 /nfs/dbraw/zinc/37/15/56/345371556.db2.gz GFNMLEYVXNYODX-IMSYWVGJSA-N 1 1 180.251 1.056 10 30 ADEEMO C=CCC[N@H+]1CC[C@@H]2C[C@@H]21 306497582 345371594 /nfs/dbraw/zinc/37/15/94/345371594.db2.gz BJAUPKPRBHYDRO-BDAKNGLRSA-N 1 1 137.226 1.657 10 30 ADEEMO C=CCC[N@H+]1CC[C@H]2C[C@H]21 306497583 345371613 /nfs/dbraw/zinc/37/16/13/345371613.db2.gz BJAUPKPRBHYDRO-DTWKUNHWSA-N 1 1 137.226 1.657 10 30 ADEEMO C[C@@H]1C[C@@H]1[NH2+][C@H]1CCCO[C@H]1C#N 306497491 345371616 /nfs/dbraw/zinc/37/16/16/345371616.db2.gz GFNMLEYVXNYODX-KATARQTJSA-N 1 1 180.251 1.056 10 30 ADEEMO C[C@@H]1C[C@@H]1[NH2+][C@H]1CCCO[C@@H]1C#N 306497493 345371625 /nfs/dbraw/zinc/37/16/25/345371625.db2.gz GFNMLEYVXNYODX-XFWSIPNHSA-N 1 1 180.251 1.056 10 30 ADEEMO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCCO[C@@H]1C#N 306497488 345371717 /nfs/dbraw/zinc/37/17/17/345371717.db2.gz GFNMLEYVXNYODX-DOLQZWNJSA-N 1 1 180.251 1.056 10 30 ADEEMO C[N@@H+](CC(C)(C)C#N)[C@H]1CCSC1 306499899 345373365 /nfs/dbraw/zinc/37/33/65/345373365.db2.gz LGJHPDFRQKUHNY-VIFPVBQESA-N 1 1 198.335 1.973 10 30 ADEEMO C[N@@H+](CC(C)(C)C#N)[C@@H]1CCSC1 306499898 345373535 /nfs/dbraw/zinc/37/35/35/345373535.db2.gz LGJHPDFRQKUHNY-SECBINFHSA-N 1 1 198.335 1.973 10 30 ADEEMO C/C(=[NH+]/N)c1ccc(Cl)c(N)c1 306500461 345374457 /nfs/dbraw/zinc/37/44/57/345374457.db2.gz YEJFYVQTANQUJW-XGICHPGQSA-N 1 1 183.642 1.605 10 30 ADEEMO C=CCN1CC[C@@H]2CC[N@H+](C)[C@@H]2C1 306501602 345375641 /nfs/dbraw/zinc/37/56/41/345375641.db2.gz RMTVWYROCLGJTQ-WDEREUQCSA-N 1 1 180.295 1.198 10 30 ADEEMO C=CCN1CC[C@H]2CC[N@H+](C)[C@@H]2C1 306501599 345375760 /nfs/dbraw/zinc/37/57/60/345375760.db2.gz RMTVWYROCLGJTQ-GHMZBOCLSA-N 1 1 180.295 1.198 10 30 ADEEMO C=CCN1CC[C@@H]2CC[N@H+](C)[C@H]2C1 306501601 345376013 /nfs/dbraw/zinc/37/60/13/345376013.db2.gz RMTVWYROCLGJTQ-QWRGUYRKSA-N 1 1 180.295 1.198 10 30 ADEEMO C=CCN1CC[C@H]2CC[N@H+](C)[C@H]2C1 306501600 345376104 /nfs/dbraw/zinc/37/61/04/345376104.db2.gz RMTVWYROCLGJTQ-MNOVXSKESA-N 1 1 180.295 1.198 10 30 ADEEMO C#C[C@@]1(O)CC[N@H+](CC=C(C)C)C1 306507367 345380160 /nfs/dbraw/zinc/38/01/60/345380160.db2.gz XUSTUOFKRBMOTG-LLVKDONJSA-N 1 1 179.263 1.023 10 30 ADEEMO C#C[C@]1(O)CC[N@H+](CC=C(C)C)C1 306507368 345380288 /nfs/dbraw/zinc/38/02/88/345380288.db2.gz XUSTUOFKRBMOTG-NSHDSACASA-N 1 1 179.263 1.023 10 30 ADEEMO C#CC[N@H+]1CCC[C@H]1[C@H]1CCCO1 306509281 345381418 /nfs/dbraw/zinc/38/14/18/345381418.db2.gz BHWMPRVZFXOIQH-WDEREUQCSA-N 1 1 179.263 1.263 10 30 ADEEMO C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCO1 306509280 345381471 /nfs/dbraw/zinc/38/14/71/345381471.db2.gz BHWMPRVZFXOIQH-QWRGUYRKSA-N 1 1 179.263 1.263 10 30 ADEEMO C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 306509279 345381680 /nfs/dbraw/zinc/38/16/80/345381680.db2.gz BHWMPRVZFXOIQH-MNOVXSKESA-N 1 1 179.263 1.263 10 30 ADEEMO C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCO1 306509278 345381699 /nfs/dbraw/zinc/38/16/99/345381699.db2.gz BHWMPRVZFXOIQH-GHMZBOCLSA-N 1 1 179.263 1.263 10 30 ADEEMO C#CC[C@H]([NH2+]C)C(C)(F)F 306510134 345381955 /nfs/dbraw/zinc/38/19/55/345381955.db2.gz CRHQXCLHOXMQRK-LURJTMIESA-N 1 1 147.168 1.253 10 30 ADEEMO C#CC[C@@H]([NH2+]C)C(C)(F)F 306510135 345382370 /nfs/dbraw/zinc/38/23/70/345382370.db2.gz CRHQXCLHOXMQRK-ZCFIWIBFSA-N 1 1 147.168 1.253 10 30 ADEEMO C[C@H]1CC[C@H](O)C[N@H+]1CCCC#N 306510677 345382883 /nfs/dbraw/zinc/38/28/83/345382883.db2.gz LLSZVFNOWKZVQM-UWVGGRQHSA-N 1 1 182.267 1.135 10 30 ADEEMO C[C@@H]1C[C@@H](C)[NH+]1CCC#N 306513850 345384795 /nfs/dbraw/zinc/38/47/95/345384795.db2.gz SUKQDHDROGNCNJ-HTQZYQBOSA-N 1 1 138.214 1.383 10 30 ADEEMO C[C@H]1C[C@@H](C)[N@@H+]1CCC#N 306513851 345384800 /nfs/dbraw/zinc/38/48/00/345384800.db2.gz SUKQDHDROGNCNJ-OCAPTIKFSA-N 1 1 138.214 1.383 10 30 ADEEMO C[C@H]1C[C@@H](C)[N@H+]1CCC#N 306513851 345384802 /nfs/dbraw/zinc/38/48/02/345384802.db2.gz SUKQDHDROGNCNJ-OCAPTIKFSA-N 1 1 138.214 1.383 10 30 ADEEMO C[C@H]1C[C@H](C)[NH+]1CCC#N 306513852 345385064 /nfs/dbraw/zinc/38/50/64/345385064.db2.gz SUKQDHDROGNCNJ-YUMQZZPRSA-N 1 1 138.214 1.383 10 30 ADEEMO C=C1CCN(c2ccc(N)[nH+]c2)CC1 306514960 345385796 /nfs/dbraw/zinc/38/57/96/345385796.db2.gz BVZUBLCLVTZONK-UHFFFAOYSA-N 1 1 189.262 1.820 10 30 ADEEMO C#CCN(CC)c1ccc[nH+]c1N 306517273 345388262 /nfs/dbraw/zinc/38/82/62/345388262.db2.gz FPNKJKJBYGGQDT-UHFFFAOYSA-N 1 1 175.235 1.123 10 30 ADEEMO C#CC[N@H+](C)Cc1cc(N)ccc1O 306519358 345390798 /nfs/dbraw/zinc/39/07/98/345390798.db2.gz ILXDFOKAMMKXMG-UHFFFAOYSA-N 1 1 190.246 1.039 10 30 ADEEMO C#C[C@@H](C)[N@H+](C)Cc1ccoc1 306521448 345393232 /nfs/dbraw/zinc/39/32/32/345393232.db2.gz FXUDZWKIVZNIDX-SECBINFHSA-N 1 1 163.220 1.733 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)Cc1ccoc1 306521448 345393234 /nfs/dbraw/zinc/39/32/34/345393234.db2.gz FXUDZWKIVZNIDX-SECBINFHSA-N 1 1 163.220 1.733 10 30 ADEEMO C#C[C@H](C)[N@H+](C)Cc1ccoc1 306521450 345393254 /nfs/dbraw/zinc/39/32/54/345393254.db2.gz FXUDZWKIVZNIDX-VIFPVBQESA-N 1 1 163.220 1.733 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)Cc1ccoc1 306521450 345393256 /nfs/dbraw/zinc/39/32/56/345393256.db2.gz FXUDZWKIVZNIDX-VIFPVBQESA-N 1 1 163.220 1.733 10 30 ADEEMO C=C[C@@H](CO)Nc1cccc(C)[nH+]1 306522421 345394325 /nfs/dbraw/zinc/39/43/25/345394325.db2.gz PUYIYVPXSSTRHR-VIFPVBQESA-N 1 1 178.235 1.349 10 30 ADEEMO C=C(C)CN(C)c1ccc[nH+]c1N 306522194 345394539 /nfs/dbraw/zinc/39/45/39/345394539.db2.gz PBFYBXYNVLBPRQ-UHFFFAOYSA-N 1 1 177.251 1.676 10 30 ADEEMO CC1(C)C[C@H](O)CC[N@@H+](CCC#N)C1 306524572 345397239 /nfs/dbraw/zinc/39/72/39/345397239.db2.gz YVQAAZJLFVVDLV-SNVBAGLBSA-N 1 1 196.294 1.383 10 30 ADEEMO CC1(C)C[C@@H](O)CC[N@@H+](CCC#N)C1 306524571 345397339 /nfs/dbraw/zinc/39/73/39/345397339.db2.gz YVQAAZJLFVVDLV-JTQLQIEISA-N 1 1 196.294 1.383 10 30 ADEEMO C=CC[N@H+]1C[C@@H]2CCC[C@@H]21 306528581 345399928 /nfs/dbraw/zinc/39/99/28/345399928.db2.gz BXMIBBSITIQVAC-IUCAKERBSA-N 1 1 137.226 1.657 10 30 ADEEMO C=CC[N@H+]1C[C@H]2CCC[C@@H]21 306528574 345399934 /nfs/dbraw/zinc/39/99/34/345399934.db2.gz BXMIBBSITIQVAC-BDAKNGLRSA-N 1 1 137.226 1.657 10 30 ADEEMO C=CC[N@H+]1C[C@@H]2CCC[C@H]21 306528577 345400028 /nfs/dbraw/zinc/40/00/28/345400028.db2.gz BXMIBBSITIQVAC-DTWKUNHWSA-N 1 1 137.226 1.657 10 30 ADEEMO C=CC[N@H+]1C[C@@H](C)[C@@H](C)C1 306529091 345400281 /nfs/dbraw/zinc/40/02/81/345400281.db2.gz FCSXGXTTWAQYAR-DTORHVGOSA-N 1 1 139.242 1.760 10 30 ADEEMO C[C@@H]1C[C@@H](C)[N@@H+](CC[C@@H]2CO2)C1 306529024 345400358 /nfs/dbraw/zinc/40/03/58/345400358.db2.gz HOEXXSOPEIGHGR-OPRDCNLKSA-N 1 1 169.268 1.506 10 30 ADEEMO C[C@H]1C[C@@H](C)C[N@@H+]1CC[C@H]1CO1 306529025 345400471 /nfs/dbraw/zinc/40/04/71/345400471.db2.gz HOEXXSOPEIGHGR-UTLUCORTSA-N 1 1 169.268 1.506 10 30 ADEEMO C[C@@H]1C[C@@H](C)[N@@H+](CC[C@H]2CO2)C1 306529022 345400594 /nfs/dbraw/zinc/40/05/94/345400594.db2.gz HOEXXSOPEIGHGR-BBBLOLIVSA-N 1 1 169.268 1.506 10 30 ADEEMO C=CC[N@H+]1C[C@H]2CCC[C@H]21 306528757 345400604 /nfs/dbraw/zinc/40/06/04/345400604.db2.gz BXMIBBSITIQVAC-RKDXNWHRSA-N 1 1 137.226 1.657 10 30 ADEEMO C#C[C@H](C)[N@H+](C)Cc1cnc(N)s1 306531238 345402968 /nfs/dbraw/zinc/40/29/68/345402968.db2.gz FHLYWNDKQLUVKJ-ZETCQYMHSA-N 1 1 195.291 1.179 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)Cc1cnc(N)s1 306531238 345402969 /nfs/dbraw/zinc/40/29/69/345402969.db2.gz FHLYWNDKQLUVKJ-ZETCQYMHSA-N 1 1 195.291 1.179 10 30 ADEEMO C#C[C@@H](C)[N@H+](C)Cc1cnc(N)s1 306531236 345403180 /nfs/dbraw/zinc/40/31/80/345403180.db2.gz FHLYWNDKQLUVKJ-SSDOTTSWSA-N 1 1 195.291 1.179 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)Cc1cnc(N)s1 306531236 345403181 /nfs/dbraw/zinc/40/31/81/345403181.db2.gz FHLYWNDKQLUVKJ-SSDOTTSWSA-N 1 1 195.291 1.179 10 30 ADEEMO C=C[C@@H]1CCCC[N@@H+]1CC(C)(C)O 306532030 345403896 /nfs/dbraw/zinc/40/38/96/345403896.db2.gz GFCAREBQHIFZMU-SNVBAGLBSA-N 1 1 183.295 1.798 10 30 ADEEMO C=C[C@H]1CCCC[N@@H+]1CC(C)(C)O 306532029 345404275 /nfs/dbraw/zinc/40/42/75/345404275.db2.gz GFCAREBQHIFZMU-JTQLQIEISA-N 1 1 183.295 1.798 10 30 ADEEMO C#CCN1CCC[N@H+](CC)C[C@@H]1C 306533327 345405614 /nfs/dbraw/zinc/40/56/14/345405614.db2.gz HJLWJVVLMLRZDV-NSHDSACASA-N 1 1 180.295 1.036 10 30 ADEEMO C#CCN1CCC[N@H+](CC)C[C@H]1C 306533325 345405782 /nfs/dbraw/zinc/40/57/82/345405782.db2.gz HJLWJVVLMLRZDV-LLVKDONJSA-N 1 1 180.295 1.036 10 30 ADEEMO C#CCC[N@H+]1CC(C)=C[C@@H](C)C1 306535546 345408420 /nfs/dbraw/zinc/40/84/20/345408420.db2.gz PPHFKTDLMKZIDV-SNVBAGLBSA-N 1 1 163.264 1.908 10 30 ADEEMO C#CCC[N@H+]1CC(C)=C[C@H](C)C1 306535544 345408448 /nfs/dbraw/zinc/40/84/48/345408448.db2.gz PPHFKTDLMKZIDV-JTQLQIEISA-N 1 1 163.264 1.908 10 30 ADEEMO C[C@H]1C[N@@H+](C[C@@H]2CO2)C(C)(C)C1 306536261 345408825 /nfs/dbraw/zinc/40/88/25/345408825.db2.gz GZOFXHWNCYRGCD-RKDXNWHRSA-N 1 1 169.268 1.506 10 30 ADEEMO C[C@@H]1C[N@@H+](C[C@@H]2CO2)C(C)(C)C1 306536260 345408846 /nfs/dbraw/zinc/40/88/46/345408846.db2.gz GZOFXHWNCYRGCD-DTWKUNHWSA-N 1 1 169.268 1.506 10 30 ADEEMO CC(C)(C=O)[N@H+]1CCC2(CCC2)C1 306537512 345410633 /nfs/dbraw/zinc/41/06/33/345410633.db2.gz ISTCQOOVUBHMKR-UHFFFAOYSA-N 1 1 181.279 1.840 10 30 ADEEMO C[C@@H]1CSCC[N@H+]([C@H](C)CC#N)C1 306539827 345413670 /nfs/dbraw/zinc/41/36/70/345413670.db2.gz NYCHPHOGWYUBFB-VHSXEESVSA-N 1 1 198.335 1.973 10 30 ADEEMO C[C@H]1CSCC[N@H+]([C@H](C)CC#N)C1 306539823 345413767 /nfs/dbraw/zinc/41/37/67/345413767.db2.gz NYCHPHOGWYUBFB-NXEZZACHSA-N 1 1 198.335 1.973 10 30 ADEEMO C[C@@H]1CSCC[N@H+]([C@@H](C)CC#N)C1 306539825 345413925 /nfs/dbraw/zinc/41/39/25/345413925.db2.gz NYCHPHOGWYUBFB-UWVGGRQHSA-N 1 1 198.335 1.973 10 30 ADEEMO C[C@@H](CC#N)[N@H+]1CCSC[C@H](C)C1 306539829 345413958 /nfs/dbraw/zinc/41/39/58/345413958.db2.gz NYCHPHOGWYUBFB-ZJUUUORDSA-N 1 1 198.335 1.973 10 30 ADEEMO C=C[C@H](C)[N@@H+]1CCO[C@H](C(C)C)C1 306540538 345414556 /nfs/dbraw/zinc/41/45/56/345414556.db2.gz OVGWFHIQCMCLGX-QWRGUYRKSA-N 1 1 183.295 1.918 10 30 ADEEMO C=C[C@@H](C)[N@@H+]1CCO[C@@H](C(C)C)C1 306540536 345414795 /nfs/dbraw/zinc/41/47/95/345414795.db2.gz OVGWFHIQCMCLGX-GHMZBOCLSA-N 1 1 183.295 1.918 10 30 ADEEMO C=C[C@H](C)[N@@H+]1CCO[C@@H](C(C)C)C1 306540539 345414902 /nfs/dbraw/zinc/41/49/02/345414902.db2.gz OVGWFHIQCMCLGX-WDEREUQCSA-N 1 1 183.295 1.918 10 30 ADEEMO C=C[C@@H](C)[N@@H+]1CCO[C@H](C(C)C)C1 306540537 345414922 /nfs/dbraw/zinc/41/49/22/345414922.db2.gz OVGWFHIQCMCLGX-MNOVXSKESA-N 1 1 183.295 1.918 10 30 ADEEMO C[C@H](C#N)[N@@H+]1C[C@H]2CC=CC[C@H]2C1 306541495 345415499 /nfs/dbraw/zinc/41/54/99/345415499.db2.gz PTOYRBGQYBYMLJ-MXWKQRLJSA-N 1 1 176.263 1.796 10 30 ADEEMO C[C@H](C#N)[N@H+]1C[C@H]2CC=CC[C@H]2C1 306541495 345415502 /nfs/dbraw/zinc/41/55/02/345415502.db2.gz PTOYRBGQYBYMLJ-MXWKQRLJSA-N 1 1 176.263 1.796 10 30 ADEEMO C[C@H](C#N)[NH+]1C[C@H]2CC=CC[C@@H]2C1 306541494 345415550 /nfs/dbraw/zinc/41/55/50/345415550.db2.gz PTOYRBGQYBYMLJ-GMTAPVOTSA-N 1 1 176.263 1.796 10 30 ADEEMO C[C@H](C#N)[NH+]1C[C@@H]2CC=CC[C@H]2C1 306541496 345415610 /nfs/dbraw/zinc/41/56/10/345415610.db2.gz PTOYRBGQYBYMLJ-VWYCJHECSA-N 1 1 176.263 1.796 10 30 ADEEMO C[C@@H](C#N)[N@@H+]1C[C@H]2CC=CC[C@H]2C1 306541493 345415685 /nfs/dbraw/zinc/41/56/85/345415685.db2.gz PTOYRBGQYBYMLJ-GARJFASQSA-N 1 1 176.263 1.796 10 30 ADEEMO C[C@@H](C#N)[N@H+]1C[C@H]2CC=CC[C@H]2C1 306541493 345415687 /nfs/dbraw/zinc/41/56/87/345415687.db2.gz PTOYRBGQYBYMLJ-GARJFASQSA-N 1 1 176.263 1.796 10 30 ADEEMO C[C@@H]1CCOCC[N@H+]1CCCC#N 306543626 345417872 /nfs/dbraw/zinc/41/78/72/345417872.db2.gz SPFSCRCMTMCASP-SNVBAGLBSA-N 1 1 182.267 1.401 10 30 ADEEMO C[C@H]1CCOCC[N@H+]1CCCC#N 306543625 345417901 /nfs/dbraw/zinc/41/79/01/345417901.db2.gz SPFSCRCMTMCASP-JTQLQIEISA-N 1 1 182.267 1.401 10 30 ADEEMO C=CCC[N@@H+]1CCCOC[C@@H]1C 306545900 345420691 /nfs/dbraw/zinc/42/06/91/345420691.db2.gz GNYAIPFBFRIMDE-JTQLQIEISA-N 1 1 169.268 1.673 10 30 ADEEMO C=CCC[N@@H+]1CCCOC[C@H]1C 306545906 345420700 /nfs/dbraw/zinc/42/07/00/345420700.db2.gz GNYAIPFBFRIMDE-SNVBAGLBSA-N 1 1 169.268 1.673 10 30 ADEEMO C[C@@H]1OCC[C@H]1[N@@H+](C)C(C)(C)C=O 306551297 345426321 /nfs/dbraw/zinc/42/63/21/345426321.db2.gz JSBMGAIAMBEGSI-DTWKUNHWSA-N 1 1 185.267 1.073 10 30 ADEEMO C[C@H]1OCC[C@@H]1[N@@H+](C)C(C)(C)C=O 306551281 345426378 /nfs/dbraw/zinc/42/63/78/345426378.db2.gz JSBMGAIAMBEGSI-BDAKNGLRSA-N 1 1 185.267 1.073 10 30 ADEEMO C[C@H]1OCC[C@H]1[N@@H+](C)C(C)(C)C=O 306551320 345426484 /nfs/dbraw/zinc/42/64/84/345426484.db2.gz JSBMGAIAMBEGSI-RKDXNWHRSA-N 1 1 185.267 1.073 10 30 ADEEMO C[C@@H]1OCC[C@@H]1[N@@H+](C)C(C)(C)C=O 306551309 345426573 /nfs/dbraw/zinc/42/65/73/345426573.db2.gz JSBMGAIAMBEGSI-IUCAKERBSA-N 1 1 185.267 1.073 10 30 ADEEMO C#CC[NH+]1CC2(C1)CC(F)(F)C2 306551474 345427166 /nfs/dbraw/zinc/42/71/66/345427166.db2.gz AMPGRLMEAPEXAJ-UHFFFAOYSA-N 1 1 171.190 1.351 10 30 ADEEMO C[C@H]1CC[N@@H+](CCC=O)CCS1 306553948 345429622 /nfs/dbraw/zinc/42/96/22/345429622.db2.gz LBIHGFOFCLTGOH-VIFPVBQESA-N 1 1 187.308 1.403 10 30 ADEEMO CC(C)(O)C[N@H+]1CCC[C@@H](CC#N)C1 306554470 345430018 /nfs/dbraw/zinc/43/00/18/345430018.db2.gz DYKVXMPQKMUHDP-JTQLQIEISA-N 1 1 196.294 1.383 10 30 ADEEMO CC(C)(O)C[N@H+]1CCC[C@H](CC#N)C1 306554471 345430080 /nfs/dbraw/zinc/43/00/80/345430080.db2.gz DYKVXMPQKMUHDP-SNVBAGLBSA-N 1 1 196.294 1.383 10 30 ADEEMO CC[C@H]1CC[N@H+](C(C)(C)C=O)C1 306555399 345431190 /nfs/dbraw/zinc/43/11/90/345431190.db2.gz LSKBLTQYJHDZRP-VIFPVBQESA-N 1 1 169.268 1.696 10 30 ADEEMO CC[C@@H]1CC[N@H+](C(C)(C)C=O)C1 306555397 345431306 /nfs/dbraw/zinc/43/13/06/345431306.db2.gz LSKBLTQYJHDZRP-SECBINFHSA-N 1 1 169.268 1.696 10 30 ADEEMO C1CC2(C1)CC[N@H+](CC[C@@H]1CO1)C2 306556074 345431620 /nfs/dbraw/zinc/43/16/20/345431620.db2.gz MHQYAZRTFDFLPW-SNVBAGLBSA-N 1 1 181.279 1.651 10 30 ADEEMO C1CC2(C1)CC[N@H+](CC[C@H]1CO1)C2 306556073 345431804 /nfs/dbraw/zinc/43/18/04/345431804.db2.gz MHQYAZRTFDFLPW-JTQLQIEISA-N 1 1 181.279 1.651 10 30 ADEEMO C[NH+]1CC(Nc2ccc(C#N)cc2)C1 306562190 345438058 /nfs/dbraw/zinc/43/80/58/345438058.db2.gz OCGVYXOLBJDDNL-UHFFFAOYSA-N 1 1 187.246 1.284 10 30 ADEEMO C=C(Cl)C[N@@H+]1CC[C@](C)(CO)C1 306562956 345438586 /nfs/dbraw/zinc/43/85/86/345438586.db2.gz OTHHZMKDFSCHQF-VIFPVBQESA-N 1 1 189.686 1.443 10 30 ADEEMO C=C(Cl)C[N@@H+]1CC[C@@](C)(CO)C1 306562955 345438708 /nfs/dbraw/zinc/43/87/08/345438708.db2.gz OTHHZMKDFSCHQF-SECBINFHSA-N 1 1 189.686 1.443 10 30 ADEEMO CC(C)(C=O)[N@H+]1CCCC1(C)C 306563320 345439072 /nfs/dbraw/zinc/43/90/72/345439072.db2.gz VKSSWRDOSKAJFX-UHFFFAOYSA-N 1 1 169.268 1.838 10 30 ADEEMO CO[C@@H]1CCC[C@@H]1[C@]1(C#N)CCC[NH2+]1 306563636 345439436 /nfs/dbraw/zinc/43/94/36/345439436.db2.gz VSYUSDIVIVFXJD-HBNTYKKESA-N 1 1 194.278 1.447 10 30 ADEEMO CO[C@@H]1CCC[C@H]1[C@@]1(C#N)CCC[NH2+]1 306563637 345439528 /nfs/dbraw/zinc/43/95/28/345439528.db2.gz VSYUSDIVIVFXJD-MXWKQRLJSA-N 1 1 194.278 1.447 10 30 ADEEMO CO[C@@H]1CCC[C@H]1[C@]1(C#N)CCC[NH2+]1 306563635 345439538 /nfs/dbraw/zinc/43/95/38/345439538.db2.gz VSYUSDIVIVFXJD-GMTAPVOTSA-N 1 1 194.278 1.447 10 30 ADEEMO CO[C@@H]1CCC[C@@H]1[C@@]1(C#N)CCC[NH2+]1 306563634 345439603 /nfs/dbraw/zinc/43/96/03/345439603.db2.gz VSYUSDIVIVFXJD-AXFHLTTASA-N 1 1 194.278 1.447 10 30 ADEEMO C[C@@H](C#N)C[N@H+]1CCS[C@H](C)CC1 306564013 345439977 /nfs/dbraw/zinc/43/99/77/345439977.db2.gz WENBFRPCFIWOCL-VHSXEESVSA-N 1 1 198.335 1.973 10 30 ADEEMO C[C@H](C#N)C[N@H+]1CCS[C@H](C)CC1 306564011 345440048 /nfs/dbraw/zinc/44/00/48/345440048.db2.gz WENBFRPCFIWOCL-NXEZZACHSA-N 1 1 198.335 1.973 10 30 ADEEMO C[C@H]1CC[N@@H+](C[C@@H](C)C#N)CCS1 306564012 345440160 /nfs/dbraw/zinc/44/01/60/345440160.db2.gz WENBFRPCFIWOCL-UWVGGRQHSA-N 1 1 198.335 1.973 10 30 ADEEMO C[C@H](C#N)C[N@H+]1CCS[C@@H](C)CC1 306564014 345440287 /nfs/dbraw/zinc/44/02/87/345440287.db2.gz WENBFRPCFIWOCL-ZJUUUORDSA-N 1 1 198.335 1.973 10 30 ADEEMO C[N@@H+]([C@H]1CCSC1)C(C)(C)C=O 306566723 345443277 /nfs/dbraw/zinc/44/32/77/345443277.db2.gz YWAMZMRCDLXLHR-QMMMGPOBSA-N 1 1 187.308 1.401 10 30 ADEEMO C[N@@H+]([C@@H]1CCSC1)C(C)(C)C=O 306566721 345443306 /nfs/dbraw/zinc/44/33/06/345443306.db2.gz YWAMZMRCDLXLHR-MRVPVSSYSA-N 1 1 187.308 1.401 10 30 ADEEMO C#CC[N@@H+]1C[C@H](C)OCC1(C)C 306567435 345444019 /nfs/dbraw/zinc/44/40/19/345444019.db2.gz ZQUDIOHXPAFKCM-VIFPVBQESA-N 1 1 167.252 1.119 10 30 ADEEMO C#CC[N@@H+]1C[C@@H](C)OCC1(C)C 306567433 345444325 /nfs/dbraw/zinc/44/43/25/345444325.db2.gz ZQUDIOHXPAFKCM-SECBINFHSA-N 1 1 167.252 1.119 10 30 ADEEMO N#CC[C@H]1CC[N@H+](C/C=C/Cl)C1 306577004 345454122 /nfs/dbraw/zinc/45/41/22/345454122.db2.gz KUOVAFWSXXJEES-PWTMJPFMSA-N 1 1 184.670 1.974 10 30 ADEEMO N#CC[C@@H]1CC[N@H+](C/C=C/Cl)C1 306577003 345454237 /nfs/dbraw/zinc/45/42/37/345454237.db2.gz KUOVAFWSXXJEES-CITMHJQUSA-N 1 1 184.670 1.974 10 30 ADEEMO CC(C)[C@H](C#N)C[N@@H+]1C[C@@H](O)[C@H](C)C1 306580601 345457748 /nfs/dbraw/zinc/45/77/48/345457748.db2.gz OOUVPSHMDPBUNE-GMTAPVOTSA-N 1 1 196.294 1.095 10 30 ADEEMO CC(C)[C@H](C#N)C[N@H+]1C[C@@H](C)[C@@H](O)C1 306580603 345457806 /nfs/dbraw/zinc/45/78/06/345457806.db2.gz OOUVPSHMDPBUNE-MXWKQRLJSA-N 1 1 196.294 1.095 10 30 ADEEMO CC(C)[C@H](C#N)C[N@H+]1C[C@H](C)[C@@H](O)C1 306580600 345457850 /nfs/dbraw/zinc/45/78/50/345457850.db2.gz OOUVPSHMDPBUNE-AXFHLTTASA-N 1 1 196.294 1.095 10 30 ADEEMO CC(C)[C@H](C#N)C[N@H+]1C[C@H](O)C[C@H]1C 306581339 345458350 /nfs/dbraw/zinc/45/83/50/345458350.db2.gz PMFIXDAADNFIKD-GMTAPVOTSA-N 1 1 196.294 1.237 10 30 ADEEMO CC(C)[C@H](C#N)C[N@H+]1C[C@@H](O)C[C@H]1C 306581341 345458171 /nfs/dbraw/zinc/45/81/71/345458171.db2.gz PMFIXDAADNFIKD-MXWKQRLJSA-N 1 1 196.294 1.237 10 30 ADEEMO CC(C)[C@H](C#N)C[N@H+]1C[C@H](O)C[C@@H]1C 306581340 345458411 /nfs/dbraw/zinc/45/84/11/345458411.db2.gz PMFIXDAADNFIKD-HBNTYKKESA-N 1 1 196.294 1.237 10 30 ADEEMO CC[C@@]([NH3+])(C#N)[C@@H]1CC1(C)C 306582939 345460396 /nfs/dbraw/zinc/46/03/96/345460396.db2.gz QQAJOYSTTSUCIY-VXNVDRBHSA-N 1 1 152.241 1.664 10 30 ADEEMO CC[C@@]([NH3+])(C#N)[C@H]1CC1(C)C 306582938 345460592 /nfs/dbraw/zinc/46/05/92/345460592.db2.gz QQAJOYSTTSUCIY-IONNQARKSA-N 1 1 152.241 1.664 10 30 ADEEMO CC[C@]([NH3+])(C#N)[C@@H]1CC1(C)C 306582936 345460615 /nfs/dbraw/zinc/46/06/15/345460615.db2.gz QQAJOYSTTSUCIY-APPZFPTMSA-N 1 1 152.241 1.664 10 30 ADEEMO CC[C@]([NH3+])(C#N)[C@H]1CC1(C)C 306582937 345460637 /nfs/dbraw/zinc/46/06/37/345460637.db2.gz QQAJOYSTTSUCIY-CBAPKCEASA-N 1 1 152.241 1.664 10 30 ADEEMO CC[C@]1(C)CC[N@@H+](CC=O)C1 306590779 345468264 /nfs/dbraw/zinc/46/82/64/345468264.db2.gz AKQFTPXARHPEBN-SECBINFHSA-N 1 1 155.241 1.307 10 30 ADEEMO CC[C@@]1(C)CC[N@@H+](CC=O)C1 306590780 345468267 /nfs/dbraw/zinc/46/82/67/345468267.db2.gz AKQFTPXARHPEBN-VIFPVBQESA-N 1 1 155.241 1.307 10 30 ADEEMO C#C[C@H](C)[N@H+](C)Cc1ccccn1 306598584 345475006 /nfs/dbraw/zinc/47/50/06/345475006.db2.gz GIGPQBYOAJGDPB-JTQLQIEISA-N 1 1 174.247 1.535 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)Cc1ccccn1 306598584 345475010 /nfs/dbraw/zinc/47/50/10/345475010.db2.gz GIGPQBYOAJGDPB-JTQLQIEISA-N 1 1 174.247 1.535 10 30 ADEEMO C#C[C@@H](C)[N@H+](C)Cc1ccccn1 306598585 345475335 /nfs/dbraw/zinc/47/53/35/345475335.db2.gz GIGPQBYOAJGDPB-SNVBAGLBSA-N 1 1 174.247 1.535 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)Cc1ccccn1 306598585 345475336 /nfs/dbraw/zinc/47/53/36/345475336.db2.gz GIGPQBYOAJGDPB-SNVBAGLBSA-N 1 1 174.247 1.535 10 30 ADEEMO CC1(C)C[N@@H+](CC=O)[C@@H]2CCC[C@@H]21 306599685 345475673 /nfs/dbraw/zinc/47/56/73/345475673.db2.gz YRZUDSUQYQBGKK-VHSXEESVSA-N 1 1 181.279 1.696 10 30 ADEEMO CC1(C)C[N@@H+](CC=O)[C@@H]2CCC[C@H]21 306599683 345475873 /nfs/dbraw/zinc/47/58/73/345475873.db2.gz YRZUDSUQYQBGKK-NXEZZACHSA-N 1 1 181.279 1.696 10 30 ADEEMO CC1(C)C[N@@H+](CC=O)[C@H]2CCC[C@H]21 306599688 345475957 /nfs/dbraw/zinc/47/59/57/345475957.db2.gz YRZUDSUQYQBGKK-ZJUUUORDSA-N 1 1 181.279 1.696 10 30 ADEEMO CC1(C)C[N@@H+](CC=O)[C@H]2CCC[C@@H]21 306599684 345475977 /nfs/dbraw/zinc/47/59/77/345475977.db2.gz YRZUDSUQYQBGKK-UWVGGRQHSA-N 1 1 181.279 1.696 10 30 ADEEMO CC#CC[N@H+]1CCC[C@H]2COC[C@H]21 306604465 345480250 /nfs/dbraw/zinc/48/02/50/345480250.db2.gz OENKNZVJCDIOGZ-WDEREUQCSA-N 1 1 179.263 1.121 10 30 ADEEMO C=C(C)C[N@H+]1CCC[C@H]2COC[C@H]21 306605083 345480629 /nfs/dbraw/zinc/48/06/29/345480629.db2.gz PDDVHKUZYHOLKH-WDEREUQCSA-N 1 1 181.279 1.673 10 30 ADEEMO CC#CCC[N@H+]1CC[C@](C)(CO)C1 306606198 345481289 /nfs/dbraw/zinc/48/12/89/345481289.db2.gz RFXWLSHMFFXQRA-NSHDSACASA-N 1 1 181.279 1.104 10 30 ADEEMO CC#CCC[N@H+]1CC[C@@](C)(CO)C1 306606197 345481398 /nfs/dbraw/zinc/48/13/98/345481398.db2.gz RFXWLSHMFFXQRA-LLVKDONJSA-N 1 1 181.279 1.104 10 30 ADEEMO C=C(C)C[N@H+](C)C1CCC(O)CC1 306607836 345482260 /nfs/dbraw/zinc/48/22/60/345482260.db2.gz UZZKIACENOZYCI-UHFFFAOYSA-N 1 1 183.295 1.798 10 30 ADEEMO CC#CC[N@H+]1CC[C@H](C)[C@@H](F)C1 306619351 345492402 /nfs/dbraw/zinc/49/24/02/345492402.db2.gz UVWHCOQNKNVTMI-UWVGGRQHSA-N 1 1 169.243 1.690 10 30 ADEEMO CC#CC[N@@H+]1CC[C@H](C)[C@H](F)C1 306619352 345492289 /nfs/dbraw/zinc/49/22/89/345492289.db2.gz UVWHCOQNKNVTMI-VHSXEESVSA-N 1 1 169.243 1.690 10 30 ADEEMO CC#CC[N@H+]1CC[C@H](C)[C@H](F)C1 306619352 345492291 /nfs/dbraw/zinc/49/22/91/345492291.db2.gz UVWHCOQNKNVTMI-VHSXEESVSA-N 1 1 169.243 1.690 10 30 ADEEMO CC#CC[N@@H+]1CC[C@H](C)[C@@H](F)C1 306619351 345492399 /nfs/dbraw/zinc/49/23/99/345492399.db2.gz UVWHCOQNKNVTMI-UWVGGRQHSA-N 1 1 169.243 1.690 10 30 ADEEMO CC#CC[N@@H+]1CC[C@@H](C)[C@H](F)C1 306619350 345492417 /nfs/dbraw/zinc/49/24/17/345492417.db2.gz UVWHCOQNKNVTMI-NXEZZACHSA-N 1 1 169.243 1.690 10 30 ADEEMO CC#CC[N@H+]1CC[C@@H](C)[C@H](F)C1 306619350 345492421 /nfs/dbraw/zinc/49/24/21/345492421.db2.gz UVWHCOQNKNVTMI-NXEZZACHSA-N 1 1 169.243 1.690 10 30 ADEEMO CC#CC[N@@H+]1CC[C@@H](C)[C@@H](F)C1 306619353 345492553 /nfs/dbraw/zinc/49/25/53/345492553.db2.gz UVWHCOQNKNVTMI-ZJUUUORDSA-N 1 1 169.243 1.690 10 30 ADEEMO CC#CC[N@H+]1CC[C@@H](C)[C@@H](F)C1 306619353 345492556 /nfs/dbraw/zinc/49/25/56/345492556.db2.gz UVWHCOQNKNVTMI-ZJUUUORDSA-N 1 1 169.243 1.690 10 30 ADEEMO C#C[C@H]([NH3+])c1ccc(C)cn1 306620618 345493470 /nfs/dbraw/zinc/49/34/70/345493470.db2.gz UZWHQZZSZMDXGA-QMMMGPOBSA-N 1 1 146.193 1.023 10 30 ADEEMO C#C[C@@H]([NH3+])c1ccc(C)cn1 306620617 345493492 /nfs/dbraw/zinc/49/34/92/345493492.db2.gz UZWHQZZSZMDXGA-MRVPVSSYSA-N 1 1 146.193 1.023 10 30 ADEEMO C=C(CC)C[N@@H+]1CCO[C@@H]2C[C@@H]21 306626733 345498074 /nfs/dbraw/zinc/49/80/74/345498074.db2.gz IDXNIJZEVJBRCJ-VHSXEESVSA-N 1 1 167.252 1.426 10 30 ADEEMO C=C(CC)C[N@H+]1CCO[C@@H]2C[C@@H]21 306626733 345498075 /nfs/dbraw/zinc/49/80/75/345498075.db2.gz IDXNIJZEVJBRCJ-VHSXEESVSA-N 1 1 167.252 1.426 10 30 ADEEMO C=C(CC)C[N@@H+]1CCO[C@H]2C[C@H]21 306626734 345498181 /nfs/dbraw/zinc/49/81/81/345498181.db2.gz IDXNIJZEVJBRCJ-ZJUUUORDSA-N 1 1 167.252 1.426 10 30 ADEEMO C=C(CC)C[N@H+]1CCO[C@H]2C[C@H]21 306626734 345498183 /nfs/dbraw/zinc/49/81/83/345498183.db2.gz IDXNIJZEVJBRCJ-ZJUUUORDSA-N 1 1 167.252 1.426 10 30 ADEEMO C#CC[NH2+]Cc1oc(C)nc1C 306636332 345504290 /nfs/dbraw/zinc/50/42/90/345504290.db2.gz AZIHLDIHKZQTJJ-UHFFFAOYSA-N 1 1 164.208 1.014 10 30 ADEEMO C[C@@H]1CCSCC[N@H+]1CCS 306641120 345509285 /nfs/dbraw/zinc/50/92/85/345509285.db2.gz QDLLOVFKTQNPAD-MRVPVSSYSA-N 1 1 191.365 1.744 10 30 ADEEMO C[C@H]1CCSCC[N@H+]1CCS 306641121 345509396 /nfs/dbraw/zinc/50/93/96/345509396.db2.gz QDLLOVFKTQNPAD-QMMMGPOBSA-N 1 1 191.365 1.744 10 30 ADEEMO C=C[C@H](C)[N@H+]1CC[NH2+]C[C@@H](C)C1 306643688 345512122 /nfs/dbraw/zinc/51/21/22/345512122.db2.gz XLRTUKSKOTWCJJ-ZJUUUORDSA-N 1 1 168.284 1.102 10 30 ADEEMO C=C[C@H](C)N1CC[NH2+]C[C@@H](C)C1 306643688 345512123 /nfs/dbraw/zinc/51/21/23/345512123.db2.gz XLRTUKSKOTWCJJ-ZJUUUORDSA-N 1 1 168.284 1.102 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CC[NH2+]C[C@@H](C)C1 306643685 345512214 /nfs/dbraw/zinc/51/22/14/345512214.db2.gz XLRTUKSKOTWCJJ-NXEZZACHSA-N 1 1 168.284 1.102 10 30 ADEEMO C=C[C@@H](C)N1CC[NH2+]C[C@@H](C)C1 306643685 345512215 /nfs/dbraw/zinc/51/22/15/345512215.db2.gz XLRTUKSKOTWCJJ-NXEZZACHSA-N 1 1 168.284 1.102 10 30 ADEEMO C=C[C@@H](C)N1CC[NH2+]C[C@H](C)C1 306643687 345512303 /nfs/dbraw/zinc/51/23/03/345512303.db2.gz XLRTUKSKOTWCJJ-VHSXEESVSA-N 1 1 168.284 1.102 10 30 ADEEMO C=C[C@H](C)[N@H+]1CC[NH2+]C[C@H](C)C1 306643686 345512453 /nfs/dbraw/zinc/51/24/53/345512453.db2.gz XLRTUKSKOTWCJJ-UWVGGRQHSA-N 1 1 168.284 1.102 10 30 ADEEMO C=C[C@H](C)N1CC[NH2+]C[C@H](C)C1 306643686 345512456 /nfs/dbraw/zinc/51/24/56/345512456.db2.gz XLRTUKSKOTWCJJ-UWVGGRQHSA-N 1 1 168.284 1.102 10 30 ADEEMO C=C(C)C[N@H+]1CCC(F)(F)[C@@H](O)C1 306644813 345514056 /nfs/dbraw/zinc/51/40/56/345514056.db2.gz AYWFPWYPBUBBKB-QMMMGPOBSA-N 1 1 191.221 1.264 10 30 ADEEMO C=C(C)C[N@H+]1CCC(F)(F)[C@H](O)C1 306644802 345514265 /nfs/dbraw/zinc/51/42/65/345514265.db2.gz AYWFPWYPBUBBKB-MRVPVSSYSA-N 1 1 191.221 1.264 10 30 ADEEMO C[C@H](CS)C[N@@H+]1C[C@H]2C[C@H]2C1 306647311 345515430 /nfs/dbraw/zinc/51/54/30/345515430.db2.gz DFDOIEPFEQIBKH-XHNCKOQMSA-N 1 1 171.309 1.504 10 30 ADEEMO C[C@@H](CS)C[N@@H+]1C[C@H]2C[C@H]2C1 306647310 345515783 /nfs/dbraw/zinc/51/57/83/345515783.db2.gz DFDOIEPFEQIBKH-HLTSFMKQSA-N 1 1 171.309 1.504 10 30 ADEEMO CO/[NH+]=C(/C)c1ccc(N)nc1 306658879 345524603 /nfs/dbraw/zinc/52/46/03/345524603.db2.gz KYNUYCTXWOVWMR-WDZFZDKYSA-N 1 1 165.196 1.034 10 30 ADEEMO CC(C)[C@@H](C)[N@H+]1CCC[C@H](C=O)C1 306669526 345531790 /nfs/dbraw/zinc/53/17/90/345531790.db2.gz LGBYUEOGDNAFSV-MNOVXSKESA-N 1 1 183.295 1.942 10 30 ADEEMO CC(C)[C@H](C)[N@H+]1CCC[C@H](C=O)C1 306669527 345531871 /nfs/dbraw/zinc/53/18/71/345531871.db2.gz LGBYUEOGDNAFSV-QWRGUYRKSA-N 1 1 183.295 1.942 10 30 ADEEMO CC(C)[C@@H](C)[N@H+]1CCC[C@@H](C=O)C1 306669525 345531879 /nfs/dbraw/zinc/53/18/79/345531879.db2.gz LGBYUEOGDNAFSV-GHMZBOCLSA-N 1 1 183.295 1.942 10 30 ADEEMO CC(C)[C@H](C)[N@H+]1CCC[C@@H](C=O)C1 306669528 345531925 /nfs/dbraw/zinc/53/19/25/345531925.db2.gz LGBYUEOGDNAFSV-WDEREUQCSA-N 1 1 183.295 1.942 10 30 ADEEMO CCC#C[C@@H](C)[N@H+]1CC[C@@H](OC)C1 306674402 345536526 /nfs/dbraw/zinc/53/65/26/345536526.db2.gz QEWYHYRDBOFHGA-GHMZBOCLSA-N 1 1 181.279 1.509 10 30 ADEEMO CC[C@H]1CC[C@@H](C)[N@@H+](C[C@H]2CO2)C1 306675131 345536923 /nfs/dbraw/zinc/53/69/23/345536923.db2.gz RXMOTCGONSIEDC-VWYCJHECSA-N 1 1 183.295 1.896 10 30 ADEEMO CC[C@@H]1CC[C@@H](C)[N@@H+](C[C@H]2CO2)C1 306675130 345537125 /nfs/dbraw/zinc/53/71/25/345537125.db2.gz RXMOTCGONSIEDC-MXWKQRLJSA-N 1 1 183.295 1.896 10 30 ADEEMO CC[C@H]1CC[C@H](C)[N@@H+](C[C@H]2CO2)C1 306675129 345537161 /nfs/dbraw/zinc/53/71/61/345537161.db2.gz RXMOTCGONSIEDC-DCAQKATOSA-N 1 1 183.295 1.896 10 30 ADEEMO CC(C)[C@H](C)[N@H+]1CCC[C@@H]1/C(N)=N/O 306677752 345539885 /nfs/dbraw/zinc/53/98/85/345539885.db2.gz ZTWZTKDRDCNEQH-DTWKUNHWSA-N 1 1 199.298 1.242 10 30 ADEEMO CC(C)[C@H](C)[N@H+]1CCC[C@H]1/C(N)=N/O 306677753 345539947 /nfs/dbraw/zinc/53/99/47/345539947.db2.gz ZTWZTKDRDCNEQH-IUCAKERBSA-N 1 1 199.298 1.242 10 30 ADEEMO CC(C)[C@@H](C)[N@H+]1CCC[C@H]1/C(N)=N/O 306677751 345540154 /nfs/dbraw/zinc/54/01/54/345540154.db2.gz ZTWZTKDRDCNEQH-BDAKNGLRSA-N 1 1 199.298 1.242 10 30 ADEEMO CC(C)[C@@H](C)[N@H+]1CCC[C@@H]1/C(N)=N/O 306677754 345540160 /nfs/dbraw/zinc/54/01/60/345540160.db2.gz ZTWZTKDRDCNEQH-RKDXNWHRSA-N 1 1 199.298 1.242 10 30 ADEEMO C#C[C@](C)(CC)[N@H+]1CCC[NH2+]CC1 306681564 345542870 /nfs/dbraw/zinc/54/28/70/345542870.db2.gz OHWJAEKIFKOFNG-LLVKDONJSA-N 1 1 180.295 1.084 10 30 ADEEMO C#CC[N@H+](CC)C(C)(C)C 306683533 345545103 /nfs/dbraw/zinc/54/51/03/345545103.db2.gz WDOGZJPCLYSQMI-UHFFFAOYSA-N 1 1 139.242 1.740 10 30 ADEEMO C[C@@H]1C[C@H](O)CC[N@H+]1CCCC#N 306684627 345545691 /nfs/dbraw/zinc/54/56/91/345545691.db2.gz DGDSSUIQRTXLQW-NXEZZACHSA-N 1 1 182.267 1.135 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)CC(=C)C 306698427 345553804 /nfs/dbraw/zinc/55/38/04/345553804.db2.gz CNHVTEZWFJWZOT-SECBINFHSA-N 1 1 137.226 1.516 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)CC(=C)C 306698428 345553984 /nfs/dbraw/zinc/55/39/84/345553984.db2.gz CNHVTEZWFJWZOT-VIFPVBQESA-N 1 1 137.226 1.516 10 30 ADEEMO C[C@H]1C[C@@H]([N@@H+](C)CCC#N)CCO1 306699619 345554946 /nfs/dbraw/zinc/55/49/46/345554946.db2.gz DZILSQOAKSICAS-UWVGGRQHSA-N 1 1 182.267 1.399 10 30 ADEEMO C[C@@H]1C[C@@H]([N@@H+](C)CCC#N)CCO1 306699628 345554882 /nfs/dbraw/zinc/55/48/82/345554882.db2.gz DZILSQOAKSICAS-ZJUUUORDSA-N 1 1 182.267 1.399 10 30 ADEEMO C[C@@H]1C[C@H]([N@@H+](C)CCC#N)CCO1 306699615 345554985 /nfs/dbraw/zinc/55/49/85/345554985.db2.gz DZILSQOAKSICAS-NXEZZACHSA-N 1 1 182.267 1.399 10 30 ADEEMO C[C@H]1C[C@H]([N@@H+](C)CCC#N)CCO1 306699624 345554999 /nfs/dbraw/zinc/55/49/99/345554999.db2.gz DZILSQOAKSICAS-VHSXEESVSA-N 1 1 182.267 1.399 10 30 ADEEMO C#CCC[N@@H+]1CCN[C@@H]2CCCC[C@H]21 306706232 345559507 /nfs/dbraw/zinc/55/95/07/345559507.db2.gz LPCHSXRBPXQDQU-VXGBXAGGSA-N 1 1 192.306 1.226 10 30 ADEEMO C#CCC[N@H+]1CCN[C@@H]2CCCC[C@H]21 306706232 345559511 /nfs/dbraw/zinc/55/95/11/345559511.db2.gz LPCHSXRBPXQDQU-VXGBXAGGSA-N 1 1 192.306 1.226 10 30 ADEEMO C#CCC[N@@H+]1CCN[C@H]2CCCC[C@H]21 306706230 345559698 /nfs/dbraw/zinc/55/96/98/345559698.db2.gz LPCHSXRBPXQDQU-NWDGAFQWSA-N 1 1 192.306 1.226 10 30 ADEEMO C#CCC[N@H+]1CCN[C@H]2CCCC[C@H]21 306706230 345559700 /nfs/dbraw/zinc/55/97/00/345559700.db2.gz LPCHSXRBPXQDQU-NWDGAFQWSA-N 1 1 192.306 1.226 10 30 ADEEMO C#CCC[N@@H+]1CCN[C@H]2CCCC[C@@H]21 306706231 345559714 /nfs/dbraw/zinc/55/97/14/345559714.db2.gz LPCHSXRBPXQDQU-RYUDHWBXSA-N 1 1 192.306 1.226 10 30 ADEEMO C#CCC[N@H+]1CCN[C@H]2CCCC[C@@H]21 306706231 345559715 /nfs/dbraw/zinc/55/97/15/345559715.db2.gz LPCHSXRBPXQDQU-RYUDHWBXSA-N 1 1 192.306 1.226 10 30 ADEEMO C#CCC[N@@H+]1CCN[C@@H]2CCCC[C@@H]21 306706229 345559723 /nfs/dbraw/zinc/55/97/23/345559723.db2.gz LPCHSXRBPXQDQU-NEPJUHHUSA-N 1 1 192.306 1.226 10 30 ADEEMO C#CCC[N@H+]1CCN[C@@H]2CCCC[C@@H]21 306706229 345559725 /nfs/dbraw/zinc/55/97/25/345559725.db2.gz LPCHSXRBPXQDQU-NEPJUHHUSA-N 1 1 192.306 1.226 10 30 ADEEMO N/[NH+]=C/c1ccc(N)cc1Cl 306706636 345559961 /nfs/dbraw/zinc/55/99/61/345559961.db2.gz JCNUVKFMXIWMOK-NYYWCZLTSA-N 1 1 169.615 1.215 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCOCC1(C)C 306713938 345566040 /nfs/dbraw/zinc/56/60/40/345566040.db2.gz QGAMILBLLQFICK-VIFPVBQESA-N 1 1 169.268 1.672 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCOCC1(C)C 306713937 345566286 /nfs/dbraw/zinc/56/62/86/345566286.db2.gz QGAMILBLLQFICK-SECBINFHSA-N 1 1 169.268 1.672 10 30 ADEEMO CC1CC([N@@H+](C)CCC#N)C1 306719208 345570249 /nfs/dbraw/zinc/57/02/49/345570249.db2.gz XMIXCTHGUAFQEZ-UHFFFAOYSA-N 1 1 152.241 1.630 10 30 ADEEMO CCC[C@@]([NH3+])(C#N)C1CCC1 306747325 345589218 /nfs/dbraw/zinc/58/92/18/345589218.db2.gz GAGJFZGOHFNFFV-SECBINFHSA-N 1 1 152.241 1.808 10 30 ADEEMO CCNC(=[NH+]N)c1csc(C)c1C 306721246 345572000 /nfs/dbraw/zinc/57/20/00/345572000.db2.gz HTGGTGUYNZGHRC-UHFFFAOYSA-N 1 1 197.307 1.595 10 30 ADEEMO N#C[C@@H]1CCC[C@H]1[NH2+]CCF 306723627 345573704 /nfs/dbraw/zinc/57/37/04/345573704.db2.gz SDUOQJCHMVRBIR-JGVFFNPUSA-N 1 1 156.204 1.238 10 30 ADEEMO N#C[C@H]1CCC[C@@H]1[NH2+]CCF 306723629 345573805 /nfs/dbraw/zinc/57/38/05/345573805.db2.gz SDUOQJCHMVRBIR-SFYZADRCSA-N 1 1 156.204 1.238 10 30 ADEEMO N#C[C@H]1CCC[C@H]1[NH2+]CCF 306723626 345574032 /nfs/dbraw/zinc/57/40/32/345574032.db2.gz SDUOQJCHMVRBIR-HTQZYQBOSA-N 1 1 156.204 1.238 10 30 ADEEMO N#C[C@@H]1CCC[C@@H]1[NH2+]CCF 306723630 345574060 /nfs/dbraw/zinc/57/40/60/345574060.db2.gz SDUOQJCHMVRBIR-YUMQZZPRSA-N 1 1 156.204 1.238 10 30 ADEEMO C#CCN(C)c1c(N)c[nH+]cc1Cl 306724852 345575307 /nfs/dbraw/zinc/57/53/07/345575307.db2.gz VQOCUNZWIGLHNX-UHFFFAOYSA-N 1 1 195.653 1.387 10 30 ADEEMO C#C[C@H](C)N1CC[C@H]([NH3+])C(C)(C)C1 306727996 345577821 /nfs/dbraw/zinc/57/78/21/345577821.db2.gz NCCRODJCSQOBHZ-UWVGGRQHSA-N 1 1 180.295 1.067 10 30 ADEEMO C#C[C@@H](C)N1CC[C@H]([NH3+])C(C)(C)C1 306727998 345577852 /nfs/dbraw/zinc/57/78/52/345577852.db2.gz NCCRODJCSQOBHZ-ZJUUUORDSA-N 1 1 180.295 1.067 10 30 ADEEMO C#C[C@H](C)N1CC[C@@H]([NH3+])C(C)(C)C1 306727997 345578058 /nfs/dbraw/zinc/57/80/58/345578058.db2.gz NCCRODJCSQOBHZ-VHSXEESVSA-N 1 1 180.295 1.067 10 30 ADEEMO C#C[C@@H](C)N1CC[C@@H]([NH3+])C(C)(C)C1 306727995 345578073 /nfs/dbraw/zinc/57/80/73/345578073.db2.gz NCCRODJCSQOBHZ-NXEZZACHSA-N 1 1 180.295 1.067 10 30 ADEEMO C[C@@H](CC#N)[N@@H+]1C[C@@H](C)[C@@H]1C 306731746 345580289 /nfs/dbraw/zinc/58/02/89/345580289.db2.gz QZVYFJIUHZGBQB-VGMNWLOBSA-N 1 1 152.241 1.629 10 30 ADEEMO C[C@@H](CC#N)[N@H+]1C[C@@H](C)[C@@H]1C 306731746 345580291 /nfs/dbraw/zinc/58/02/91/345580291.db2.gz QZVYFJIUHZGBQB-VGMNWLOBSA-N 1 1 152.241 1.629 10 30 ADEEMO C[C@@H](CC#N)[N@@H+]1C[C@@H](C)[C@H]1C 306731744 345580371 /nfs/dbraw/zinc/58/03/71/345580371.db2.gz QZVYFJIUHZGBQB-HRDYMLBCSA-N 1 1 152.241 1.629 10 30 ADEEMO C[C@@H](CC#N)[N@H+]1C[C@@H](C)[C@H]1C 306731744 345580373 /nfs/dbraw/zinc/58/03/73/345580373.db2.gz QZVYFJIUHZGBQB-HRDYMLBCSA-N 1 1 152.241 1.629 10 30 ADEEMO C[C@H]1[C@H](C)C[N@H+]1[C@H](C)CC#N 306731743 345580386 /nfs/dbraw/zinc/58/03/86/345580386.db2.gz QZVYFJIUHZGBQB-HLTSFMKQSA-N 1 1 152.241 1.629 10 30 ADEEMO C[C@H]1[C@H](C)C[N@@H+]1[C@H](C)CC#N 306731743 345580388 /nfs/dbraw/zinc/58/03/88/345580388.db2.gz QZVYFJIUHZGBQB-HLTSFMKQSA-N 1 1 152.241 1.629 10 30 ADEEMO C#CCC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 306735964 345583334 /nfs/dbraw/zinc/58/33/34/345583334.db2.gz WYVXBDUQXMRWHU-GFCCVEGCSA-N 1 1 192.306 1.037 10 30 ADEEMO C#CCC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 306735964 345583339 /nfs/dbraw/zinc/58/33/39/345583339.db2.gz WYVXBDUQXMRWHU-GFCCVEGCSA-N 1 1 192.306 1.037 10 30 ADEEMO C#CCC[N@H+]1CC[C@@]2(CCN(C)C2)C1 306735964 345583341 /nfs/dbraw/zinc/58/33/41/345583341.db2.gz WYVXBDUQXMRWHU-GFCCVEGCSA-N 1 1 192.306 1.037 10 30 ADEEMO C#CCC[N@@H+]1CC[C@@]2(CCN(C)C2)C1 306735964 345583345 /nfs/dbraw/zinc/58/33/45/345583345.db2.gz WYVXBDUQXMRWHU-GFCCVEGCSA-N 1 1 192.306 1.037 10 30 ADEEMO C#CCC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 306735965 345583379 /nfs/dbraw/zinc/58/33/79/345583379.db2.gz WYVXBDUQXMRWHU-LBPRGKRZSA-N 1 1 192.306 1.037 10 30 ADEEMO C#CCC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 306735965 345583382 /nfs/dbraw/zinc/58/33/82/345583382.db2.gz WYVXBDUQXMRWHU-LBPRGKRZSA-N 1 1 192.306 1.037 10 30 ADEEMO C#CCC[N@H+]1CC[C@]2(CCN(C)C2)C1 306735965 345583386 /nfs/dbraw/zinc/58/33/86/345583386.db2.gz WYVXBDUQXMRWHU-LBPRGKRZSA-N 1 1 192.306 1.037 10 30 ADEEMO C#CCC[N@@H+]1CC[C@]2(CCN(C)C2)C1 306735965 345583390 /nfs/dbraw/zinc/58/33/90/345583390.db2.gz WYVXBDUQXMRWHU-LBPRGKRZSA-N 1 1 192.306 1.037 10 30 ADEEMO SCCC[N@@H+]1C[C@H]2C[C@H]2C1 306739167 345585723 /nfs/dbraw/zinc/58/57/23/345585723.db2.gz JLGUQLXZXYXSMX-OCAPTIKFSA-N 1 1 157.282 1.258 10 30 ADEEMO C=CC[N@H+]1[C@@H](C)C[C@H]1C 306756561 345593739 /nfs/dbraw/zinc/59/37/39/345593739.db2.gz MIBMLAWCLNLVLN-OCAPTIKFSA-N 1 1 125.215 1.655 10 30 ADEEMO C#CC[N@H+]1CCC12CCC2 306759559 345596192 /nfs/dbraw/zinc/59/61/92/345596192.db2.gz PMEIQMDLQNHPDF-UHFFFAOYSA-N 1 1 135.210 1.248 10 30 ADEEMO C[C@H](C#N)[C@H](C)[NH2+][C@H]1CN(C)C[C@@H]1C 306762705 345598491 /nfs/dbraw/zinc/59/84/91/345598491.db2.gz DYRVUCNACLCGKZ-RCWTZXSCSA-N 1 1 195.310 1.074 10 30 ADEEMO C[C@H](C#N)[C@H](C)[NH2+][C@@H]1CN(C)C[C@@H]1C 306762706 345598501 /nfs/dbraw/zinc/59/85/01/345598501.db2.gz DYRVUCNACLCGKZ-VPOLOUISSA-N 1 1 195.310 1.074 10 30 ADEEMO C[C@H](C#N)[C@H](C)[NH2+][C@H]1CN(C)C[C@H]1C 306762707 345598775 /nfs/dbraw/zinc/59/87/75/345598775.db2.gz DYRVUCNACLCGKZ-ZNSHCXBVSA-N 1 1 195.310 1.074 10 30 ADEEMO C[C@H](C#N)[C@H](C)[NH2+][C@@H]1CN(C)C[C@H]1C 306762704 345598788 /nfs/dbraw/zinc/59/87/88/345598788.db2.gz DYRVUCNACLCGKZ-CHWFTXMASA-N 1 1 195.310 1.074 10 30 ADEEMO C1CC2(C1)CC[N@H+](C[C@H]1CO1)C2 306775592 345606955 /nfs/dbraw/zinc/60/69/55/345606955.db2.gz XCJFVDVWCUOJDP-VIFPVBQESA-N 1 1 167.252 1.261 10 30 ADEEMO C#CC[N@H+]1CC[C@H](CC2CC2)C1 306780202 345609131 /nfs/dbraw/zinc/60/91/31/345609131.db2.gz IPTAEMUZQJQGFW-LLVKDONJSA-N 1 1 163.264 1.742 10 30 ADEEMO C#CC[N@H+]1CC[C@@H](CC2CC2)C1 306780206 345609490 /nfs/dbraw/zinc/60/94/90/345609490.db2.gz IPTAEMUZQJQGFW-NSHDSACASA-N 1 1 163.264 1.742 10 30 ADEEMO C=C1CCN(C[C@@H]2CC[NH2+]C2)CC1 306782500 345610619 /nfs/dbraw/zinc/61/06/19/345610619.db2.gz KIEQUAJIFLRFAV-LLVKDONJSA-N 1 1 180.295 1.248 10 30 ADEEMO C=C1CCN(C[C@H]2CC[NH2+]C2)CC1 306782501 345610759 /nfs/dbraw/zinc/61/07/59/345610759.db2.gz KIEQUAJIFLRFAV-NSHDSACASA-N 1 1 180.295 1.248 10 30 ADEEMO C=C1CCN(c2nc(N)cc[nH+]2)CC1 306783731 345611250 /nfs/dbraw/zinc/61/12/50/345611250.db2.gz LOEVEDPCNQZAST-UHFFFAOYSA-N 1 1 190.250 1.215 10 30 ADEEMO C=C1CCN(C[C@@H]2CC[NH2+][C@H]2C)CC1 306784461 345611819 /nfs/dbraw/zinc/61/18/19/345611819.db2.gz MEGOOVNUPWPYKF-RYUDHWBXSA-N 1 1 194.322 1.636 10 30 ADEEMO C=C1CCN(C[C@@H]2CC[NH2+][C@@H]2C)CC1 306784459 345611944 /nfs/dbraw/zinc/61/19/44/345611944.db2.gz MEGOOVNUPWPYKF-NEPJUHHUSA-N 1 1 194.322 1.636 10 30 ADEEMO C=C1CCN(C[C@H]2CC[NH2+][C@@H]2C)CC1 306784462 345612012 /nfs/dbraw/zinc/61/20/12/345612012.db2.gz MEGOOVNUPWPYKF-VXGBXAGGSA-N 1 1 194.322 1.636 10 30 ADEEMO C=C1CCN(C[C@H]2CC[NH2+][C@H]2C)CC1 306784460 345612099 /nfs/dbraw/zinc/61/20/99/345612099.db2.gz MEGOOVNUPWPYKF-NWDGAFQWSA-N 1 1 194.322 1.636 10 30 ADEEMO CC#CC[N@@H+](C)C1CCC(O)CC1 306784753 345612619 /nfs/dbraw/zinc/61/26/19/345612619.db2.gz IOFWGCGCIYHWQV-UHFFFAOYSA-N 1 1 181.279 1.245 10 30 ADEEMO C=C(C)C(=O)Cn1cc[nH+]c1C 306785601 345613301 /nfs/dbraw/zinc/61/33/01/345613301.db2.gz NYNSJNXGILRWHB-UHFFFAOYSA-N 1 1 164.208 1.337 10 30 ADEEMO SCC[N@H+]1CC[C@@H]2CCC[C@H]21 306789574 345615563 /nfs/dbraw/zinc/61/55/63/345615563.db2.gz PSSJMBDBHGUPQH-DTWKUNHWSA-N 1 1 171.309 1.791 10 30 ADEEMO CC#CC[N@@H+]1CC[C@@H](CO)[C@@H]1CC 306789622 345615570 /nfs/dbraw/zinc/61/55/70/345615570.db2.gz TZOKVQYFZDCQBG-QWRGUYRKSA-N 1 1 181.279 1.103 10 30 ADEEMO CC#CC[N@@H+]1CC[C@@H](CO)[C@H]1CC 306789623 345615686 /nfs/dbraw/zinc/61/56/86/345615686.db2.gz TZOKVQYFZDCQBG-WDEREUQCSA-N 1 1 181.279 1.103 10 30 ADEEMO CC#CC[N@@H+]1CC[C@H](CO)[C@@H]1CC 306789621 345615722 /nfs/dbraw/zinc/61/57/22/345615722.db2.gz TZOKVQYFZDCQBG-MNOVXSKESA-N 1 1 181.279 1.103 10 30 ADEEMO SCC[N@H+]1CC[C@H]2CCC[C@H]21 306789576 345615748 /nfs/dbraw/zinc/61/57/48/345615748.db2.gz PSSJMBDBHGUPQH-RKDXNWHRSA-N 1 1 171.309 1.791 10 30 ADEEMO SCC[N@H+]1CC[C@@H]2CCC[C@@H]21 306789575 345615852 /nfs/dbraw/zinc/61/58/52/345615852.db2.gz PSSJMBDBHGUPQH-IUCAKERBSA-N 1 1 171.309 1.791 10 30 ADEEMO SCC[N@H+]1CC[C@H]2CCC[C@@H]21 306789573 345615895 /nfs/dbraw/zinc/61/58/95/345615895.db2.gz PSSJMBDBHGUPQH-BDAKNGLRSA-N 1 1 171.309 1.791 10 30 ADEEMO CC#CC[N@@H+]1CC[C@H](CO)[C@H]1CC 306789507 345616012 /nfs/dbraw/zinc/61/60/12/345616012.db2.gz TZOKVQYFZDCQBG-GHMZBOCLSA-N 1 1 181.279 1.103 10 30 ADEEMO C=C1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 306791665 345617784 /nfs/dbraw/zinc/61/77/84/345617784.db2.gz YNFIQEILGBIOHR-LBPRGKRZSA-N 1 1 194.322 1.638 10 30 ADEEMO C=C1CCN(C[C@]2(C)CC[NH2+]C2)CC1 306791664 345617924 /nfs/dbraw/zinc/61/79/24/345617924.db2.gz YNFIQEILGBIOHR-GFCCVEGCSA-N 1 1 194.322 1.638 10 30 ADEEMO C1C[C@H]2[C@H](C1)CC[N@@H+]2C[C@H]1CO1 306795553 345620208 /nfs/dbraw/zinc/62/02/08/345620208.db2.gz UXXDTSOINGISPI-UTLUCORTSA-N 1 1 167.252 1.260 10 30 ADEEMO C1C[C@H]2CC[N@H+](C[C@H]3CO3)[C@@H]2C1 306795551 345620241 /nfs/dbraw/zinc/62/02/41/345620241.db2.gz UXXDTSOINGISPI-LPEHRKFASA-N 1 1 167.252 1.260 10 30 ADEEMO C1C[C@H]2CC[N@H+](C[C@H]3CO3)[C@H]2C1 306795548 345620273 /nfs/dbraw/zinc/62/02/73/345620273.db2.gz UXXDTSOINGISPI-GUBZILKMSA-N 1 1 167.252 1.260 10 30 ADEEMO C1C[C@@H]2CC[N@H+](C[C@H]3CO3)[C@@H]2C1 306795550 345620538 /nfs/dbraw/zinc/62/05/38/345620538.db2.gz UXXDTSOINGISPI-KXUCPTDWSA-N 1 1 167.252 1.260 10 30 ADEEMO CSCC1CCC([NH3+])(C#N)CC1 306796326 345621118 /nfs/dbraw/zinc/62/11/18/345621118.db2.gz HPNYAUSIJDMPMN-UHFFFAOYSA-N 1 1 184.308 1.761 10 30 ADEEMO CC(C)=CC[C@]1(C#N)CCC[NH2+]1 306797687 345621401 /nfs/dbraw/zinc/62/14/01/345621401.db2.gz YXKDLBYMIOPQIL-JTQLQIEISA-N 1 1 164.252 1.988 10 30 ADEEMO CC(C)=CC[C@@]1(C#N)CCC[NH2+]1 306797688 345621580 /nfs/dbraw/zinc/62/15/80/345621580.db2.gz YXKDLBYMIOPQIL-SNVBAGLBSA-N 1 1 164.252 1.988 10 30 ADEEMO COC(C)(C)C[C@]1(C#N)CCC[NH2+]1 306806831 345626674 /nfs/dbraw/zinc/62/66/74/345626674.db2.gz LAUPOZJISUIXNT-JTQLQIEISA-N 1 1 182.267 1.447 10 30 ADEEMO COC(C)(C)C[C@@]1(C#N)CCC[NH2+]1 306806832 345626728 /nfs/dbraw/zinc/62/67/28/345626728.db2.gz LAUPOZJISUIXNT-SNVBAGLBSA-N 1 1 182.267 1.447 10 30 ADEEMO CC(C)[NH2+]C(NN)=C1CC(F)(F)C1 306814230 345631719 /nfs/dbraw/zinc/63/17/19/345631719.db2.gz CUYCUPCXJFAFEI-UHFFFAOYSA-N 1 1 191.225 1.302 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)C1CC(C(F)F)C1 306814199 345631820 /nfs/dbraw/zinc/63/18/20/345631820.db2.gz CMPGORLWXVGHME-UEJVZZJDSA-N 1 1 187.233 1.984 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)C1CC(C(F)F)C1 306814182 345632011 /nfs/dbraw/zinc/63/20/11/345632011.db2.gz CMPGORLWXVGHME-AFPNSQJFSA-N 1 1 187.233 1.984 10 30 ADEEMO C=C[C@@H](C)[N@@H+]1CCn2ccnc2C1 306819060 345634421 /nfs/dbraw/zinc/63/44/21/345634421.db2.gz GGYKISQHHMVUJU-SECBINFHSA-N 1 1 177.251 1.273 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCn2ccnc2C1 306819060 345634423 /nfs/dbraw/zinc/63/44/23/345634423.db2.gz GGYKISQHHMVUJU-SECBINFHSA-N 1 1 177.251 1.273 10 30 ADEEMO C=C[C@H](C)[N@@H+]1CCn2ccnc2C1 306819061 345634475 /nfs/dbraw/zinc/63/44/75/345634475.db2.gz GGYKISQHHMVUJU-VIFPVBQESA-N 1 1 177.251 1.273 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCn2ccnc2C1 306819061 345634478 /nfs/dbraw/zinc/63/44/78/345634478.db2.gz GGYKISQHHMVUJU-VIFPVBQESA-N 1 1 177.251 1.273 10 30 ADEEMO C=C(C)CN1CC[NH2+]C[C@@H](C)C1 306829359 345643259 /nfs/dbraw/zinc/64/32/59/345643259.db2.gz JPPWZWVWMGCECN-SNVBAGLBSA-N 1 1 168.284 1.104 10 30 ADEEMO C=C(C)CN1CC[NH2+]C[C@H](C)C1 306829358 345643509 /nfs/dbraw/zinc/64/35/09/345643509.db2.gz JPPWZWVWMGCECN-JTQLQIEISA-N 1 1 168.284 1.104 10 30 ADEEMO C=C(COC)[C@@]1(O)CCC[N@@H+](C)CC1 306841348 345650281 /nfs/dbraw/zinc/65/02/81/345650281.db2.gz BHZAUYHUPDJDLJ-LLVKDONJSA-N 1 1 199.294 1.036 10 30 ADEEMO C=C(COC)[C@]1(O)CCC[N@@H+](C)CC1 306841349 345650486 /nfs/dbraw/zinc/65/04/86/345650486.db2.gz BHZAUYHUPDJDLJ-NSHDSACASA-N 1 1 199.294 1.036 10 30 ADEEMO C[C@H]1C[C@H](C)[N@H+](C(C)(C)C=O)C1 306851250 345657250 /nfs/dbraw/zinc/65/72/50/345657250.db2.gz QHAPHQSFVKWDRR-IUCAKERBSA-N 1 1 169.268 1.694 10 30 ADEEMO C[C@H]1C[C@@H](C)C[N@H+]1C(C)(C)C=O 306851248 345657289 /nfs/dbraw/zinc/65/72/89/345657289.db2.gz QHAPHQSFVKWDRR-BDAKNGLRSA-N 1 1 169.268 1.694 10 30 ADEEMO C[C@@H]1C[C@@H](C)[N@H+](C(C)(C)C=O)C1 306851251 345657327 /nfs/dbraw/zinc/65/73/27/345657327.db2.gz QHAPHQSFVKWDRR-RKDXNWHRSA-N 1 1 169.268 1.694 10 30 ADEEMO C[C@H]1C[C@@H](C)[N@H+](C(C)(C)C=O)C1 306851249 345657427 /nfs/dbraw/zinc/65/74/27/345657427.db2.gz QHAPHQSFVKWDRR-DTWKUNHWSA-N 1 1 169.268 1.694 10 30 ADEEMO C#CC(C)(C)[N@H+](C)Cc1ccno1 306859016 345662312 /nfs/dbraw/zinc/66/23/12/345662312.db2.gz CRBKFHZFSGLCDB-UHFFFAOYSA-N 1 1 178.235 1.518 10 30 ADEEMO C#CC(C)(C)[N@@H+](C)Cc1ccno1 306859016 345662313 /nfs/dbraw/zinc/66/23/13/345662313.db2.gz CRBKFHZFSGLCDB-UHFFFAOYSA-N 1 1 178.235 1.518 10 30 ADEEMO N#C[C@H]1CCC[C@@H]1[NH2+]C1CSC1 306859528 345662867 /nfs/dbraw/zinc/66/28/67/345662867.db2.gz DDBHUIXBALYRTR-APPZFPTMSA-N 1 1 182.292 1.384 10 30 ADEEMO N#C[C@H]1CCC[C@H]1[NH2+]C1CSC1 306859535 345662899 /nfs/dbraw/zinc/66/28/99/345662899.db2.gz DDBHUIXBALYRTR-VXNVDRBHSA-N 1 1 182.292 1.384 10 30 ADEEMO N#C[C@@H]1CCC[C@@H]1[NH2+]C1CSC1 306859530 345662918 /nfs/dbraw/zinc/66/29/18/345662918.db2.gz DDBHUIXBALYRTR-CBAPKCEASA-N 1 1 182.292 1.384 10 30 ADEEMO N#C[C@@H]1CCC[C@H]1[NH2+]C1CSC1 306859533 345662994 /nfs/dbraw/zinc/66/29/94/345662994.db2.gz DDBHUIXBALYRTR-IONNQARKSA-N 1 1 182.292 1.384 10 30 ADEEMO C[C@@H]1C[N@@H+](CC=O)[C@@H](C)[C@H]1C 306861398 345664428 /nfs/dbraw/zinc/66/44/28/345664428.db2.gz GFLDJZPQRPJTDM-VGMNWLOBSA-N 1 1 155.241 1.162 10 30 ADEEMO C[C@@H]1C[N@@H+](CC=O)[C@H](C)[C@H]1C 306861397 345664475 /nfs/dbraw/zinc/66/44/75/345664475.db2.gz GFLDJZPQRPJTDM-HRDYMLBCSA-N 1 1 155.241 1.162 10 30 ADEEMO C[C@@H]1C[N@@H+](CC=O)[C@@H](C)[C@@H]1C 306861396 345664507 /nfs/dbraw/zinc/66/45/07/345664507.db2.gz GFLDJZPQRPJTDM-HLTSFMKQSA-N 1 1 155.241 1.162 10 30 ADEEMO CC(C)(C)[C@@H](C#N)C[N@H+]1CC[C@H](O)C1 306863450 345666295 /nfs/dbraw/zinc/66/62/95/345666295.db2.gz IUBYMKOVJLGPCD-UWVGGRQHSA-N 1 1 196.294 1.239 10 30 ADEEMO CC(C)(C)[C@@H](C#N)C[N@H+]1CC[C@@H](O)C1 306863451 345666324 /nfs/dbraw/zinc/66/63/24/345666324.db2.gz IUBYMKOVJLGPCD-VHSXEESVSA-N 1 1 196.294 1.239 10 30 ADEEMO CC#CC[NH2+]Cc1conc1C 306863678 345666413 /nfs/dbraw/zinc/66/64/13/345666413.db2.gz IXUNVIHVYKCIJW-UHFFFAOYSA-N 1 1 164.208 1.096 10 30 ADEEMO CC(C)(C)[C@H](C#N)C[N@H+]1CC[C@H](O)C1 306863452 345666485 /nfs/dbraw/zinc/66/64/85/345666485.db2.gz IUBYMKOVJLGPCD-ZJUUUORDSA-N 1 1 196.294 1.239 10 30 ADEEMO CC(C)(C)[C@H](C#N)C[N@H+]1CC[C@@H](O)C1 306863449 345666558 /nfs/dbraw/zinc/66/65/58/345666558.db2.gz IUBYMKOVJLGPCD-NXEZZACHSA-N 1 1 196.294 1.239 10 30 ADEEMO N/[NH+]=C/c1ccc(N)c(Cl)c1 306868138 345669165 /nfs/dbraw/zinc/66/91/65/345669165.db2.gz QMWVNTKLQYFWBE-NYYWCZLTSA-N 1 1 169.615 1.215 10 30 ADEEMO CC[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H]2CO2)C1 306868871 345669595 /nfs/dbraw/zinc/66/95/95/345669595.db2.gz RXMOTCGONSIEDC-GMTAPVOTSA-N 1 1 183.295 1.896 10 30 ADEEMO C#CC[N@@H+]1CC[C@@H](C)[C@H](F)C1 306890906 345687908 /nfs/dbraw/zinc/68/79/08/345687908.db2.gz ZNTQZHNLZXPHJV-RKDXNWHRSA-N 1 1 155.216 1.300 10 30 ADEEMO C[C@@H]1C[N@@H+](CCS)[C@@H](C)[C@@H]1C 306874706 345672305 /nfs/dbraw/zinc/67/23/05/345672305.db2.gz BKRXITYKQQLNGD-HLTSFMKQSA-N 1 1 173.325 1.893 10 30 ADEEMO C[C@@H]1C[N@@H+](CCS)[C@@H](C)[C@H]1C 306874720 345672391 /nfs/dbraw/zinc/67/23/91/345672391.db2.gz BKRXITYKQQLNGD-VGMNWLOBSA-N 1 1 173.325 1.893 10 30 ADEEMO C[C@@H]1C[N@@H+](CCS)[C@H](C)[C@@H]1C 306874716 345672445 /nfs/dbraw/zinc/67/24/45/345672445.db2.gz BKRXITYKQQLNGD-IWSPIJDZSA-N 1 1 173.325 1.893 10 30 ADEEMO C[C@@H]1C[N@@H+](CCS)[C@H](C)[C@H]1C 306874711 345672540 /nfs/dbraw/zinc/67/25/40/345672540.db2.gz BKRXITYKQQLNGD-HRDYMLBCSA-N 1 1 173.325 1.893 10 30 ADEEMO SCC[N@H+]1CCC2(CC2)C1 306876990 345674437 /nfs/dbraw/zinc/67/44/37/345674437.db2.gz DFRFGFWOQLYIIZ-UHFFFAOYSA-N 1 1 157.282 1.402 10 30 ADEEMO C=C[C@@H](C)[N@H+]1C[C@H](C)O[C@H](C)C1 306882204 345678745 /nfs/dbraw/zinc/67/87/45/345678745.db2.gz NCHRUWKVJJSVOV-BBBLOLIVSA-N 1 1 169.268 1.670 10 30 ADEEMO C=C[C@H](C)[N@H+]1C[C@H](C)O[C@H](C)C1 306882205 345678890 /nfs/dbraw/zinc/67/88/90/345678890.db2.gz NCHRUWKVJJSVOV-LPEHRKFASA-N 1 1 169.268 1.670 10 30 ADEEMO CC[C@@H]1C[C@@H](C)C[N@H+]1CC=O 306883721 345680409 /nfs/dbraw/zinc/68/04/09/345680409.db2.gz KTKSXGNPPNRPEF-RKDXNWHRSA-N 1 1 155.241 1.306 10 30 ADEEMO CC[C@H]1C[C@@H](C)C[N@H+]1CC=O 306883718 345680612 /nfs/dbraw/zinc/68/06/12/345680612.db2.gz KTKSXGNPPNRPEF-BDAKNGLRSA-N 1 1 155.241 1.306 10 30 ADEEMO CC[C@H]1C[C@H](C)C[N@H+]1CC=O 306883720 345680662 /nfs/dbraw/zinc/68/06/62/345680662.db2.gz KTKSXGNPPNRPEF-IUCAKERBSA-N 1 1 155.241 1.306 10 30 ADEEMO CC[C@@H]1C[C@H](C)C[N@H+]1CC=O 306883719 345680682 /nfs/dbraw/zinc/68/06/82/345680682.db2.gz KTKSXGNPPNRPEF-DTWKUNHWSA-N 1 1 155.241 1.306 10 30 ADEEMO C#CC[N@H+]1CC[C@H](C)[C@H](F)C1 306890902 345687673 /nfs/dbraw/zinc/68/76/73/345687673.db2.gz ZNTQZHNLZXPHJV-DTWKUNHWSA-N 1 1 155.216 1.300 10 30 ADEEMO C#CC[N@@H+]1CC[C@H](C)[C@H](F)C1 306890902 345687674 /nfs/dbraw/zinc/68/76/74/345687674.db2.gz ZNTQZHNLZXPHJV-DTWKUNHWSA-N 1 1 155.216 1.300 10 30 ADEEMO C#CC[N@H+]1CC[C@@H](C)[C@@H](F)C1 306890900 345687805 /nfs/dbraw/zinc/68/78/05/345687805.db2.gz ZNTQZHNLZXPHJV-BDAKNGLRSA-N 1 1 155.216 1.300 10 30 ADEEMO C#CC[N@@H+]1CC[C@@H](C)[C@@H](F)C1 306890900 345687808 /nfs/dbraw/zinc/68/78/08/345687808.db2.gz ZNTQZHNLZXPHJV-BDAKNGLRSA-N 1 1 155.216 1.300 10 30 ADEEMO C#CC[N@H+]1CC[C@@H](C)[C@H](F)C1 306890906 345687906 /nfs/dbraw/zinc/68/79/06/345687906.db2.gz ZNTQZHNLZXPHJV-RKDXNWHRSA-N 1 1 155.216 1.300 10 30 ADEEMO C#CC[N@H+]1CC[C@H](C)[C@@H](F)C1 306890904 345687923 /nfs/dbraw/zinc/68/79/23/345687923.db2.gz ZNTQZHNLZXPHJV-IUCAKERBSA-N 1 1 155.216 1.300 10 30 ADEEMO C#CC[N@@H+]1CC[C@H](C)[C@@H](F)C1 306890904 345687926 /nfs/dbraw/zinc/68/79/26/345687926.db2.gz ZNTQZHNLZXPHJV-IUCAKERBSA-N 1 1 155.216 1.300 10 30 ADEEMO C[C@@H]1C[N@H+](C(C)(C)C=O)[C@H](C)[C@H]1C 306893678 345688536 /nfs/dbraw/zinc/68/85/36/345688536.db2.gz YKXBTNSATRAEQO-KXUCPTDWSA-N 1 1 183.295 1.940 10 30 ADEEMO C[C@@H]1C[N@H+](C(C)(C)C=O)[C@@H](C)[C@@H]1C 306893676 345688712 /nfs/dbraw/zinc/68/87/12/345688712.db2.gz YKXBTNSATRAEQO-BBBLOLIVSA-N 1 1 183.295 1.940 10 30 ADEEMO C[C@@H]1C[N@H+](C(C)(C)C=O)[C@@H](C)[C@H]1C 306893680 345688764 /nfs/dbraw/zinc/68/87/64/345688764.db2.gz YKXBTNSATRAEQO-UTLUCORTSA-N 1 1 183.295 1.940 10 30 ADEEMO C[C@@H]1C[N@H+](C(C)(C)C=O)[C@H](C)[C@@H]1C 306893679 345688789 /nfs/dbraw/zinc/68/87/89/345688789.db2.gz YKXBTNSATRAEQO-OPRDCNLKSA-N 1 1 183.295 1.940 10 30 ADEEMO N#C[C@@H]1CCCC[C@H]1[NH2+]CCF 306924369 345700629 /nfs/dbraw/zinc/70/06/29/345700629.db2.gz JDCVKJAHYLFVLX-DTWKUNHWSA-N 1 1 170.231 1.628 10 30 ADEEMO N#C[C@H]1CCCC[C@H]1[NH2+]CCF 306924371 345700725 /nfs/dbraw/zinc/70/07/25/345700725.db2.gz JDCVKJAHYLFVLX-RKDXNWHRSA-N 1 1 170.231 1.628 10 30 ADEEMO N#C[C@H]1CCCC[C@@H]1[NH2+]CCF 306924368 345700736 /nfs/dbraw/zinc/70/07/36/345700736.db2.gz JDCVKJAHYLFVLX-BDAKNGLRSA-N 1 1 170.231 1.628 10 30 ADEEMO N#C[C@@H]1CCCC[C@@H]1[NH2+]CCF 306924370 345700811 /nfs/dbraw/zinc/70/08/11/345700811.db2.gz JDCVKJAHYLFVLX-IUCAKERBSA-N 1 1 170.231 1.628 10 30 ADEEMO C#CC[N@H+]1CCCC12CCOCC2 306924535 345701257 /nfs/dbraw/zinc/70/12/57/345701257.db2.gz JQGPBAOQNJGBFT-UHFFFAOYSA-N 1 1 179.263 1.265 10 30 ADEEMO C[C@@H]1C[N@@H+](C[C@@H]2CO2)[C@@H](C)[C@H]1C 306939973 345708759 /nfs/dbraw/zinc/70/87/59/345708759.db2.gz GZRRTSYHERPRNC-XFWSIPNHSA-N 1 1 169.268 1.362 10 30 ADEEMO C[C@@H]1C[N@@H+](C[C@@H]2CO2)[C@H](C)[C@@H]1C 306939975 345708817 /nfs/dbraw/zinc/70/88/17/345708817.db2.gz GZRRTSYHERPRNC-ZYUZMQFOSA-N 1 1 169.268 1.362 10 30 ADEEMO C[C@@H]1C[N@@H+](C[C@H]2CO2)[C@@H](C)[C@@H]1C 306939546 345708840 /nfs/dbraw/zinc/70/88/40/345708840.db2.gz GZRRTSYHERPRNC-IMSYWVGJSA-N 1 1 169.268 1.362 10 30 ADEEMO C[C@@H]1C[N@@H+](C[C@@H]2CO2)[C@H](C)[C@H]1C 306939971 345708874 /nfs/dbraw/zinc/70/88/74/345708874.db2.gz GZRRTSYHERPRNC-UTINFBMNSA-N 1 1 169.268 1.362 10 30 ADEEMO C[C@@H]1C[N@@H+](C[C@@H]2CO2)[C@@H](C)[C@@H]1C 306939545 345708904 /nfs/dbraw/zinc/70/89/04/345708904.db2.gz GZRRTSYHERPRNC-DOLQZWNJSA-N 1 1 169.268 1.362 10 30 ADEEMO C[C@@H]1C[N@@H+](C[C@H]2CO2)[C@H](C)[C@H]1C 306939969 345708913 /nfs/dbraw/zinc/70/89/13/345708913.db2.gz GZRRTSYHERPRNC-RGOKHQFPSA-N 1 1 169.268 1.362 10 30 ADEEMO C[C@@H]1C[N@@H+](C[C@H]2CO2)[C@@H](C)[C@H]1C 306939965 345708951 /nfs/dbraw/zinc/70/89/51/345708951.db2.gz GZRRTSYHERPRNC-KATARQTJSA-N 1 1 169.268 1.362 10 30 ADEEMO C[C@@H]1C[N@@H+](C[C@H]2CO2)[C@H](C)[C@@H]1C 306939967 345709086 /nfs/dbraw/zinc/70/90/86/345709086.db2.gz GZRRTSYHERPRNC-KYXWUPHJSA-N 1 1 169.268 1.362 10 30 ADEEMO C=CC[N@H+](C)C1CCOCC1 306942743 345710166 /nfs/dbraw/zinc/71/01/66/345710166.db2.gz IORYGNCKUNNGCG-UHFFFAOYSA-N 1 1 155.241 1.283 10 30 ADEEMO C=C(C)C[N@@H+]1C[C@H](O)CC[C@H]1C 306943092 345710575 /nfs/dbraw/zinc/71/05/75/345710575.db2.gz ISLUGMVDJZRIQF-NXEZZACHSA-N 1 1 169.268 1.408 10 30 ADEEMO N#CC[N@H+]1C[C@H]2C3CCC(CC3)[C@H]2C1 306946294 345712817 /nfs/dbraw/zinc/71/28/17/345712817.db2.gz MIJLZCWQSBCYPQ-CAODYFQJSA-N 1 1 190.290 1.878 10 30 ADEEMO N#CC[N@@H+]1C[C@H]2C3CCC(CC3)[C@H]2C1 306946294 345712819 /nfs/dbraw/zinc/71/28/19/345712819.db2.gz MIJLZCWQSBCYPQ-CAODYFQJSA-N 1 1 190.290 1.878 10 30 ADEEMO C[C@@H]1CC[N@@H+](CC=O)CCS1 306948175 345713694 /nfs/dbraw/zinc/71/36/94/345713694.db2.gz RWOWWSAUAHFQKV-MRVPVSSYSA-N 1 1 173.281 1.013 10 30 ADEEMO C=C(C)[C@@]1(O)CC[N@H+](CC)C1 306948628 345713725 /nfs/dbraw/zinc/71/37/25/345713725.db2.gz UFWAMGMYNIWSOS-SECBINFHSA-N 1 1 155.241 1.019 10 30 ADEEMO C[C@H]1CC[N@@H+](CC=O)CCS1 306948176 345713791 /nfs/dbraw/zinc/71/37/91/345713791.db2.gz RWOWWSAUAHFQKV-QMMMGPOBSA-N 1 1 173.281 1.013 10 30 ADEEMO C=C(C)[C@]1(O)CC[N@H+](CC)C1 306948629 345713917 /nfs/dbraw/zinc/71/39/17/345713917.db2.gz UFWAMGMYNIWSOS-VIFPVBQESA-N 1 1 155.241 1.019 10 30 ADEEMO C/C(=[NH+]/N)c1cc(N)ccc1F 306949953 345714628 /nfs/dbraw/zinc/71/46/28/345714628.db2.gz XKLUGAQEQNHZND-XGICHPGQSA-N 1 1 167.187 1.091 10 30 ADEEMO CC1(C)C[NH+](C(C)(C)C=O)C1 306950888 345715589 /nfs/dbraw/zinc/71/55/89/345715589.db2.gz DBJKVMGMFFVIHZ-UHFFFAOYSA-N 1 1 155.241 1.306 10 30 ADEEMO C[C@]1(C#N)CCC[N@@H+](CCCF)C1 306952711 345716015 /nfs/dbraw/zinc/71/60/15/345716015.db2.gz HIPUJVIYOMJIQF-SNVBAGLBSA-N 1 1 184.258 1.972 10 30 ADEEMO C[C@@]1(C#N)CCC[N@@H+](CCCF)C1 306952710 345716203 /nfs/dbraw/zinc/71/62/03/345716203.db2.gz HIPUJVIYOMJIQF-JTQLQIEISA-N 1 1 184.258 1.972 10 30 ADEEMO N#Cc1cc([C@@H](N)CC[NH3+])ccc1F 306960134 345720090 /nfs/dbraw/zinc/72/00/90/345720090.db2.gz YORYLCNDQHQQFH-JTQLQIEISA-N 1 1 193.225 1.046 10 30 ADEEMO C[N@@H+](C1CCC1)C(C)(C)C=O 306966242 345724074 /nfs/dbraw/zinc/72/40/74/345724074.db2.gz FMWHSOISSXKDKV-UHFFFAOYSA-N 1 1 155.241 1.448 10 30 ADEEMO C[C@@H]1CSCC[N@@H+](C[C@@H]2CO2)C1 306970866 345726291 /nfs/dbraw/zinc/72/62/91/345726291.db2.gz JQHXBBAYPSFVTA-DTWKUNHWSA-N 1 1 187.308 1.070 10 30 ADEEMO C[C@H]1CSCC[N@@H+](C[C@@H]2CO2)C1 306970867 345726305 /nfs/dbraw/zinc/72/63/05/345726305.db2.gz JQHXBBAYPSFVTA-RKDXNWHRSA-N 1 1 187.308 1.070 10 30 ADEEMO CC1(C)C[N@@H+](CCS)CCCO1 306973746 345727122 /nfs/dbraw/zinc/72/71/22/345727122.db2.gz VWJNSIIBYWPUBQ-UHFFFAOYSA-N 1 1 189.324 1.417 10 30 ADEEMO CC(C)(C=O)[NH+]1CCSCC1 306973414 345727163 /nfs/dbraw/zinc/72/71/63/345727163.db2.gz LOEISNDIBQJOQD-UHFFFAOYSA-N 1 1 173.281 1.013 10 30 ADEEMO C#CC[N@@H+]1CCC[C@H]1c1cc[nH]n1 306974119 345727731 /nfs/dbraw/zinc/72/77/31/345727731.db2.gz YDKJHZDWOSZIJE-JTQLQIEISA-N 1 1 175.235 1.180 10 30 ADEEMO C#CC[N@H+]1CCC[C@H]1c1cc[nH]n1 306974119 345727732 /nfs/dbraw/zinc/72/77/32/345727732.db2.gz YDKJHZDWOSZIJE-JTQLQIEISA-N 1 1 175.235 1.180 10 30 ADEEMO C#CC[N@@H+]1CCC[C@@H]1c1cc[nH]n1 306974120 345727770 /nfs/dbraw/zinc/72/77/70/345727770.db2.gz YDKJHZDWOSZIJE-SNVBAGLBSA-N 1 1 175.235 1.180 10 30 ADEEMO C#CC[N@H+]1CCC[C@@H]1c1cc[nH]n1 306974120 345727771 /nfs/dbraw/zinc/72/77/71/345727771.db2.gz YDKJHZDWOSZIJE-SNVBAGLBSA-N 1 1 175.235 1.180 10 30 ADEEMO C[C@@H]1CC[N@H+](C(C)(C)C=O)C[C@@H]1C 306979088 345731073 /nfs/dbraw/zinc/73/10/73/345731073.db2.gz OQGFPSHABABSRX-ZJUUUORDSA-N 1 1 183.295 1.942 10 30 ADEEMO C[C@H]1CC[N@H+](C(C)(C)C=O)C[C@@H]1C 306979086 345731197 /nfs/dbraw/zinc/73/11/97/345731197.db2.gz OQGFPSHABABSRX-UWVGGRQHSA-N 1 1 183.295 1.942 10 30 ADEEMO C[C@H]1CC[N@H+](C(C)(C)C=O)C[C@H]1C 306979087 345731218 /nfs/dbraw/zinc/73/12/18/345731218.db2.gz OQGFPSHABABSRX-VHSXEESVSA-N 1 1 183.295 1.942 10 30 ADEEMO C[C@@H]1C[N@@H+](C(C)(C)C=O)CC[C@H]1C 306979084 345731240 /nfs/dbraw/zinc/73/12/40/345731240.db2.gz OQGFPSHABABSRX-NXEZZACHSA-N 1 1 183.295 1.942 10 30 ADEEMO C[C@H]1CC[C@@H](O)C[N@H+]1CCCC#N 306984100 345733983 /nfs/dbraw/zinc/73/39/83/345733983.db2.gz LLSZVFNOWKZVQM-VHSXEESVSA-N 1 1 182.267 1.135 10 30 ADEEMO C[C@@H]1CC[C@@H](O)C[N@H+]1CCCC#N 306984098 345734081 /nfs/dbraw/zinc/73/40/81/345734081.db2.gz LLSZVFNOWKZVQM-NXEZZACHSA-N 1 1 182.267 1.135 10 30 ADEEMO C[C@@H]1CC[C@H](O)C[N@H+]1CCCC#N 306984101 345734374 /nfs/dbraw/zinc/73/43/74/345734374.db2.gz LLSZVFNOWKZVQM-ZJUUUORDSA-N 1 1 182.267 1.135 10 30 ADEEMO SCCC[N@H+]1CCC2(CC2)C1 306991649 345738919 /nfs/dbraw/zinc/73/89/19/345738919.db2.gz VOTFLEYKLQDJAJ-UHFFFAOYSA-N 1 1 171.309 1.792 10 30 ADEEMO C1CC[C@H]2C[N@@H+](CC[C@H]3CO3)C[C@H]2C1 306996967 345741667 /nfs/dbraw/zinc/74/16/67/345741667.db2.gz URIRVMSKNMDECN-TUAOUCFPSA-N 1 1 195.306 1.897 10 30 ADEEMO C1CC[C@H]2C[N@@H+](CC[C@@H]3CO3)C[C@H]2C1 306996966 345741691 /nfs/dbraw/zinc/74/16/91/345741691.db2.gz URIRVMSKNMDECN-GRYCIOLGSA-N 1 1 195.306 1.897 10 30 ADEEMO C[C@@H]1CCCC[N@H+]1C(C)(C)C=O 307000125 345743175 /nfs/dbraw/zinc/74/31/75/345743175.db2.gz BKYSPHVFNHIKIQ-SECBINFHSA-N 1 1 169.268 1.838 10 30 ADEEMO C[C@H]1CCCC[N@H+]1C(C)(C)C=O 307000128 345743207 /nfs/dbraw/zinc/74/32/07/345743207.db2.gz BKYSPHVFNHIKIQ-VIFPVBQESA-N 1 1 169.268 1.838 10 30 ADEEMO CN[C@H](C#N)C[N@@H+]1C[C@H](C)CC1(C)C 307001700 345744328 /nfs/dbraw/zinc/74/43/28/345744328.db2.gz FEEWLYUISBOGND-NXEZZACHSA-N 1 1 195.310 1.218 10 30 ADEEMO CN[C@H](C#N)C[N@H+]1C[C@H](C)CC1(C)C 307001700 345744329 /nfs/dbraw/zinc/74/43/29/345744329.db2.gz FEEWLYUISBOGND-NXEZZACHSA-N 1 1 195.310 1.218 10 30 ADEEMO CN[C@@H](C#N)C[N@@H+]1C[C@@H](C)CC1(C)C 307001702 345744367 /nfs/dbraw/zinc/74/43/67/345744367.db2.gz FEEWLYUISBOGND-UWVGGRQHSA-N 1 1 195.310 1.218 10 30 ADEEMO CN[C@@H](C#N)C[N@H+]1C[C@@H](C)CC1(C)C 307001702 345744369 /nfs/dbraw/zinc/74/43/69/345744369.db2.gz FEEWLYUISBOGND-UWVGGRQHSA-N 1 1 195.310 1.218 10 30 ADEEMO CN[C@@H](C#N)C[N@@H+]1C[C@H](C)CC1(C)C 307001706 345744398 /nfs/dbraw/zinc/74/43/98/345744398.db2.gz FEEWLYUISBOGND-ZJUUUORDSA-N 1 1 195.310 1.218 10 30 ADEEMO CN[C@@H](C#N)C[N@H+]1C[C@H](C)CC1(C)C 307001706 345744399 /nfs/dbraw/zinc/74/43/99/345744399.db2.gz FEEWLYUISBOGND-ZJUUUORDSA-N 1 1 195.310 1.218 10 30 ADEEMO CN[C@H](C#N)C[N@@H+]1C[C@@H](C)CC1(C)C 307001704 345744584 /nfs/dbraw/zinc/74/45/84/345744584.db2.gz FEEWLYUISBOGND-VHSXEESVSA-N 1 1 195.310 1.218 10 30 ADEEMO CN[C@H](C#N)C[N@H+]1C[C@@H](C)CC1(C)C 307001704 345744586 /nfs/dbraw/zinc/74/45/86/345744586.db2.gz FEEWLYUISBOGND-VHSXEESVSA-N 1 1 195.310 1.218 10 30 ADEEMO C#CC[N@H+]1CC[C@@]2(CCCOC2)C1 307012683 345752194 /nfs/dbraw/zinc/75/21/94/345752194.db2.gz LEUKRCZSECARQE-NSHDSACASA-N 1 1 179.263 1.122 10 30 ADEEMO C#CC[N@H+]1CC[C@]2(CCCOC2)C1 307012682 345752338 /nfs/dbraw/zinc/75/23/38/345752338.db2.gz LEUKRCZSECARQE-LLVKDONJSA-N 1 1 179.263 1.122 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCO[C@H](C)C1 307017723 345755547 /nfs/dbraw/zinc/75/55/47/345755547.db2.gz QEAOSROQNMBACO-RKDXNWHRSA-N 1 1 155.241 1.282 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCO[C@H](C)C1 307017721 345755579 /nfs/dbraw/zinc/75/55/79/345755579.db2.gz QEAOSROQNMBACO-DTWKUNHWSA-N 1 1 155.241 1.282 10 30 ADEEMO CC#CC[N@@H+]1C[C@H]2[C@H](F)CC[C@H]2C1 307019027 345756836 /nfs/dbraw/zinc/75/68/36/345756836.db2.gz RPOHLHXCYDSOSL-HBNTYKKESA-N 1 1 181.254 1.690 10 30 ADEEMO CC#CC[N@H+]1C[C@@H]2CC[C@@H](F)[C@H]2C1 307019026 345756965 /nfs/dbraw/zinc/75/69/65/345756965.db2.gz RPOHLHXCYDSOSL-GARJFASQSA-N 1 1 181.254 1.690 10 30 ADEEMO CC#CC[N@@H+]1C[C@H]2[C@@H](F)CC[C@H]2C1 307019024 345756972 /nfs/dbraw/zinc/75/69/72/345756972.db2.gz RPOHLHXCYDSOSL-AXFHLTTASA-N 1 1 181.254 1.690 10 30 ADEEMO CC#CC[N@H+]1C[C@@H]2CC[C@H](F)[C@H]2C1 307019025 345757007 /nfs/dbraw/zinc/75/70/07/345757007.db2.gz RPOHLHXCYDSOSL-DCAQKATOSA-N 1 1 181.254 1.690 10 30 ADEEMO C[C@H]1C[N@@H+](C[C@H]2CO2)C(C)(C)C1 307022691 345759105 /nfs/dbraw/zinc/75/91/05/345759105.db2.gz GZOFXHWNCYRGCD-BDAKNGLRSA-N 1 1 169.268 1.506 10 30 ADEEMO C[C@@H]1C[N@@H+](C[C@H]2CO2)C(C)(C)C1 307022692 345759167 /nfs/dbraw/zinc/75/91/67/345759167.db2.gz GZOFXHWNCYRGCD-IUCAKERBSA-N 1 1 169.268 1.506 10 30 ADEEMO N#Cc1cc([C@H](N)CC[NH3+])ccc1F 307024322 345761079 /nfs/dbraw/zinc/76/10/79/345761079.db2.gz YORYLCNDQHQQFH-SNVBAGLBSA-N 1 1 193.225 1.046 10 30 ADEEMO C#C[C@@](C)(CC)[N@@H+]1CCNC[C@@H]1C 307027400 345764242 /nfs/dbraw/zinc/76/42/42/345764242.db2.gz IDEKAASBSROLHN-QWRGUYRKSA-N 1 1 180.295 1.082 10 30 ADEEMO C#C[C@@](C)(CC)[N@H+]1CCNC[C@@H]1C 307027400 345764243 /nfs/dbraw/zinc/76/42/43/345764243.db2.gz IDEKAASBSROLHN-QWRGUYRKSA-N 1 1 180.295 1.082 10 30 ADEEMO C#C[C@@](C)(CC)[N@@H+]1CCNC[C@H]1C 307027395 345764346 /nfs/dbraw/zinc/76/43/46/345764346.db2.gz IDEKAASBSROLHN-MNOVXSKESA-N 1 1 180.295 1.082 10 30 ADEEMO C#C[C@@](C)(CC)[N@H+]1CCNC[C@H]1C 307027395 345764347 /nfs/dbraw/zinc/76/43/47/345764347.db2.gz IDEKAASBSROLHN-MNOVXSKESA-N 1 1 180.295 1.082 10 30 ADEEMO C#C[C@](C)(CC)[N@@H+]1CCNC[C@@H]1C 307027407 345764364 /nfs/dbraw/zinc/76/43/64/345764364.db2.gz IDEKAASBSROLHN-WDEREUQCSA-N 1 1 180.295 1.082 10 30 ADEEMO C#C[C@](C)(CC)[N@H+]1CCNC[C@@H]1C 307027407 345764366 /nfs/dbraw/zinc/76/43/66/345764366.db2.gz IDEKAASBSROLHN-WDEREUQCSA-N 1 1 180.295 1.082 10 30 ADEEMO C#C[C@](C)(CC)[N@@H+]1CCNC[C@H]1C 307027390 345764452 /nfs/dbraw/zinc/76/44/52/345764452.db2.gz IDEKAASBSROLHN-GHMZBOCLSA-N 1 1 180.295 1.082 10 30 ADEEMO C#C[C@](C)(CC)[N@H+]1CCNC[C@H]1C 307027390 345764453 /nfs/dbraw/zinc/76/44/53/345764453.db2.gz IDEKAASBSROLHN-GHMZBOCLSA-N 1 1 180.295 1.082 10 30 ADEEMO CC1(C)[C@H]2C[N@@H+](CCS)C[C@H]21 307030048 345765876 /nfs/dbraw/zinc/76/58/76/345765876.db2.gz OWSFIAURDBFRKR-OCAPTIKFSA-N 1 1 171.309 1.504 10 30 ADEEMO N#Cc1cccc([C@H]([NH3+])CF)c1O 307031680 345766856 /nfs/dbraw/zinc/76/68/56/345766856.db2.gz PEBVOLZPLMKROQ-MRVPVSSYSA-N 1 1 180.182 1.233 10 30 ADEEMO C[C@H]1C[N@@H+](CC=O)C(C)(C)C1 307033361 345767873 /nfs/dbraw/zinc/76/78/73/345767873.db2.gz SNJMLFADOPNLRY-MRVPVSSYSA-N 1 1 155.241 1.306 10 30 ADEEMO C=C(C)CCN1CC[C@@H]2C[NH2+]C[C@H]2C1 307034968 345768239 /nfs/dbraw/zinc/76/82/39/345768239.db2.gz WGUJMYSBYNZEEJ-NEPJUHHUSA-N 1 1 194.322 1.494 10 30 ADEEMO C=C(C)CCN1CC[C@@H]2C[NH2+]C[C@@H]2C1 307034971 345768349 /nfs/dbraw/zinc/76/83/49/345768349.db2.gz WGUJMYSBYNZEEJ-VXGBXAGGSA-N 1 1 194.322 1.494 10 30 ADEEMO C=C(C)CCN1CC[C@H]2C[NH2+]C[C@H]2C1 307034970 345768359 /nfs/dbraw/zinc/76/83/59/345768359.db2.gz WGUJMYSBYNZEEJ-RYUDHWBXSA-N 1 1 194.322 1.494 10 30 ADEEMO CS[C@H]1CCC[N@@H+](CCS)C1 307035183 345768986 /nfs/dbraw/zinc/76/89/86/345768986.db2.gz NOARDRZJWCCQEJ-QMMMGPOBSA-N 1 1 191.365 1.744 10 30 ADEEMO CS[C@@H]1CCC[N@@H+](CCS)C1 307035182 345769118 /nfs/dbraw/zinc/76/91/18/345769118.db2.gz NOARDRZJWCCQEJ-MRVPVSSYSA-N 1 1 191.365 1.744 10 30 ADEEMO CC#CCC[N@@H+]1CCN[C@H](C)[C@H]1C 307042469 345773347 /nfs/dbraw/zinc/77/33/47/345773347.db2.gz MCBOLZICDUICSO-GHMZBOCLSA-N 1 1 180.295 1.082 10 30 ADEEMO CC#CCC[N@H+]1CCN[C@H](C)[C@H]1C 307042469 345773349 /nfs/dbraw/zinc/77/33/49/345773349.db2.gz MCBOLZICDUICSO-GHMZBOCLSA-N 1 1 180.295 1.082 10 30 ADEEMO CC#CCC[N@@H+]1CCN[C@H](C)[C@@H]1C 307042470 345773400 /nfs/dbraw/zinc/77/34/00/345773400.db2.gz MCBOLZICDUICSO-MNOVXSKESA-N 1 1 180.295 1.082 10 30 ADEEMO CC#CCC[N@H+]1CCN[C@H](C)[C@@H]1C 307042470 345773402 /nfs/dbraw/zinc/77/34/02/345773402.db2.gz MCBOLZICDUICSO-MNOVXSKESA-N 1 1 180.295 1.082 10 30 ADEEMO CC#CCC[N@@H+]1CCN[C@@H](C)[C@H]1C 307042472 345773590 /nfs/dbraw/zinc/77/35/90/345773590.db2.gz MCBOLZICDUICSO-WDEREUQCSA-N 1 1 180.295 1.082 10 30 ADEEMO CC#CCC[N@H+]1CCN[C@@H](C)[C@H]1C 307042472 345773593 /nfs/dbraw/zinc/77/35/93/345773593.db2.gz MCBOLZICDUICSO-WDEREUQCSA-N 1 1 180.295 1.082 10 30 ADEEMO CC#CCC[N@@H+]1CCN[C@@H](C)[C@@H]1C 307042471 345773728 /nfs/dbraw/zinc/77/37/28/345773728.db2.gz MCBOLZICDUICSO-QWRGUYRKSA-N 1 1 180.295 1.082 10 30 ADEEMO CC#CCC[N@H+]1CCN[C@@H](C)[C@@H]1C 307042471 345773731 /nfs/dbraw/zinc/77/37/31/345773731.db2.gz MCBOLZICDUICSO-QWRGUYRKSA-N 1 1 180.295 1.082 10 30 ADEEMO C#C[C@H](CN1CCCCCC1)[NH2+]C 307047543 345777119 /nfs/dbraw/zinc/77/71/19/345777119.db2.gz IWWUEEXYFHBQSF-LLVKDONJSA-N 1 1 180.295 1.084 10 30 ADEEMO C#C[C@@H](CN1CCCCCC1)[NH2+]C 307047553 345777420 /nfs/dbraw/zinc/77/74/20/345777420.db2.gz IWWUEEXYFHBQSF-NSHDSACASA-N 1 1 180.295 1.084 10 30 ADEEMO C[C@H]1[C@H](C)CC[N@H+]1C[C@@H]1CO1 307050175 345778424 /nfs/dbraw/zinc/77/84/24/345778424.db2.gz LLTGXBOHBOGYHL-HRDYMLBCSA-N 1 1 155.241 1.116 10 30 ADEEMO C[C@H]1CC[N@@H+](C[C@@H]2CO2)[C@H]1C 307050184 345778567 /nfs/dbraw/zinc/77/85/67/345778567.db2.gz LLTGXBOHBOGYHL-XHNCKOQMSA-N 1 1 155.241 1.116 10 30 ADEEMO C[C@@H]1CC[N@@H+](C[C@@H]2CO2)[C@@H]1C 307050179 345778597 /nfs/dbraw/zinc/77/85/97/345778597.db2.gz LLTGXBOHBOGYHL-IWSPIJDZSA-N 1 1 155.241 1.116 10 30 ADEEMO C[C@H]1CC[N@@H+](C[C@@H]2CO2)[C@@H]1C 307050170 345778829 /nfs/dbraw/zinc/77/88/29/345778829.db2.gz LLTGXBOHBOGYHL-DJLDLDEBSA-N 1 1 155.241 1.116 10 30 ADEEMO C=C(CC)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 307050655 345779092 /nfs/dbraw/zinc/77/90/92/345779092.db2.gz ROKYCROOVNYPGB-LBPRGKRZSA-N 1 1 194.322 1.638 10 30 ADEEMO C=C(CC)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 307050654 345779115 /nfs/dbraw/zinc/77/91/15/345779115.db2.gz ROKYCROOVNYPGB-GFCCVEGCSA-N 1 1 194.322 1.638 10 30 ADEEMO CS[C@H]1CC[N@@H+](CCS)C1 307054585 345781831 /nfs/dbraw/zinc/78/18/31/345781831.db2.gz XNRHFMSRWULBTC-ZETCQYMHSA-N 1 1 177.338 1.354 10 30 ADEEMO CS[C@@H]1CC[N@@H+](CCS)C1 307054584 345781973 /nfs/dbraw/zinc/78/19/73/345781973.db2.gz XNRHFMSRWULBTC-SSDOTTSWSA-N 1 1 177.338 1.354 10 30 ADEEMO C#C[C@@](C)(CC)[NH+]1CCC(=O)CC1 307055446 345781984 /nfs/dbraw/zinc/78/19/84/345781984.db2.gz YYQJLSPDSYPHTO-NSHDSACASA-N 1 1 179.263 1.453 10 30 ADEEMO C#C[C@](C)(CC)[NH+]1CCC(=O)CC1 307055445 345782116 /nfs/dbraw/zinc/78/21/16/345782116.db2.gz YYQJLSPDSYPHTO-LLVKDONJSA-N 1 1 179.263 1.453 10 30 ADEEMO CCCN[C@]1(C#N)CC[N@@H+](C)C[C@@H]1C 307060060 345785715 /nfs/dbraw/zinc/78/57/15/345785715.db2.gz CTIFVNKCEVDIDO-QWRGUYRKSA-N 1 1 195.310 1.220 10 30 ADEEMO CCCN[C@]1(C#N)CC[N@@H+](C)C[C@H]1C 307060059 345785760 /nfs/dbraw/zinc/78/57/60/345785760.db2.gz CTIFVNKCEVDIDO-MNOVXSKESA-N 1 1 195.310 1.220 10 30 ADEEMO CCCN[C@@]1(C#N)CC[N@@H+](C)C[C@@H]1C 307060061 345785774 /nfs/dbraw/zinc/78/57/74/345785774.db2.gz CTIFVNKCEVDIDO-WDEREUQCSA-N 1 1 195.310 1.220 10 30 ADEEMO CCCN[C@@]1(C#N)CC[N@@H+](C)C[C@H]1C 307060058 345785802 /nfs/dbraw/zinc/78/58/02/345785802.db2.gz CTIFVNKCEVDIDO-GHMZBOCLSA-N 1 1 195.310 1.220 10 30 ADEEMO C[C@@H](CC#N)[N@H+]1CC[C@@H](O)C1(C)C 307083929 345800526 /nfs/dbraw/zinc/80/05/26/345800526.db2.gz KZPSXGCDRKKFSC-DTWKUNHWSA-N 1 1 182.267 1.134 10 30 ADEEMO C[C@H](CC#N)[N@H+]1CC[C@H](O)C1(C)C 307083926 345800567 /nfs/dbraw/zinc/80/05/67/345800567.db2.gz KZPSXGCDRKKFSC-BDAKNGLRSA-N 1 1 182.267 1.134 10 30 ADEEMO C[C@@H](CC#N)[N@H+]1CC[C@H](O)C1(C)C 307083933 345800684 /nfs/dbraw/zinc/80/06/84/345800684.db2.gz KZPSXGCDRKKFSC-IUCAKERBSA-N 1 1 182.267 1.134 10 30 ADEEMO Cc1cc(C(NC2CC2)=[NH+]N)cs1 307098964 345809185 /nfs/dbraw/zinc/80/91/85/345809185.db2.gz FNWLGFBUUSPUQB-UHFFFAOYSA-N 1 1 195.291 1.429 10 30 ADEEMO C[C@H]1CSCC[N@@H+](C[C@H]2CO2)C1 307105924 345812920 /nfs/dbraw/zinc/81/29/20/345812920.db2.gz JQHXBBAYPSFVTA-BDAKNGLRSA-N 1 1 187.308 1.070 10 30 ADEEMO C[C@@H]1CSCC[N@@H+](C[C@H]2CO2)C1 307105926 345813207 /nfs/dbraw/zinc/81/32/07/345813207.db2.gz JQHXBBAYPSFVTA-IUCAKERBSA-N 1 1 187.308 1.070 10 30 ADEEMO CC(C)[N@H+](C)Cc1nc(C#N)cs1 307106501 345813275 /nfs/dbraw/zinc/81/32/75/345813275.db2.gz YMSFKSSWZOYJIF-UHFFFAOYSA-N 1 1 195.291 1.855 10 30 ADEEMO CC(C)[N@@H+](C)Cc1nc(C#N)cs1 307106501 345813278 /nfs/dbraw/zinc/81/32/78/345813278.db2.gz YMSFKSSWZOYJIF-UHFFFAOYSA-N 1 1 195.291 1.855 10 30 ADEEMO C[C@@H]1C[N@H+](C(C)(C)C=O)CCS1 307124452 345823477 /nfs/dbraw/zinc/82/34/77/345823477.db2.gz YLDLEARXLQQKIW-MRVPVSSYSA-N 1 1 187.308 1.401 10 30 ADEEMO SCC[N@H+]1CC[C@H](C2CC2)C1 307121933 345821384 /nfs/dbraw/zinc/82/13/84/345821384.db2.gz KOXZIZVMVDAEMH-VIFPVBQESA-N 1 1 171.309 1.648 10 30 ADEEMO SCC[N@H+]1CC[C@@H](C2CC2)C1 307121932 345821441 /nfs/dbraw/zinc/82/14/41/345821441.db2.gz KOXZIZVMVDAEMH-SECBINFHSA-N 1 1 171.309 1.648 10 30 ADEEMO C[C@H]1C[N@@H+](C(C)(C)C=O)CCS1 307124453 345823285 /nfs/dbraw/zinc/82/32/85/345823285.db2.gz YLDLEARXLQQKIW-QMMMGPOBSA-N 1 1 187.308 1.401 10 30 ADEEMO C[C@H]1C[N@H+](C(C)(C)C=O)CCS1 307124453 345823289 /nfs/dbraw/zinc/82/32/89/345823289.db2.gz YLDLEARXLQQKIW-QMMMGPOBSA-N 1 1 187.308 1.401 10 30 ADEEMO C#C[C@H]([NH3+])c1cc(C)cc(C)n1 307124485 345823409 /nfs/dbraw/zinc/82/34/09/345823409.db2.gz YPKFHNZWDLEJAV-VIFPVBQESA-N 1 1 160.220 1.331 10 30 ADEEMO C#C[C@@H]([NH3+])c1cc(C)cc(C)n1 307124484 345823457 /nfs/dbraw/zinc/82/34/57/345823457.db2.gz YPKFHNZWDLEJAV-SECBINFHSA-N 1 1 160.220 1.331 10 30 ADEEMO C[C@@H]1C[N@@H+](C(C)(C)C=O)CCS1 307124452 345823474 /nfs/dbraw/zinc/82/34/74/345823474.db2.gz YLDLEARXLQQKIW-MRVPVSSYSA-N 1 1 187.308 1.401 10 30 ADEEMO C[N@@H+](C1CC1)C(C)(C)C=O 307142219 345835826 /nfs/dbraw/zinc/83/58/26/345835826.db2.gz DUMQWTLHVOGOTN-UHFFFAOYSA-N 1 1 141.214 1.058 10 30 ADEEMO N#CC([NH3+])(C1CCC1)C1CCC1 307144984 345838326 /nfs/dbraw/zinc/83/83/26/345838326.db2.gz ALDXAWOJNUAMBK-UHFFFAOYSA-N 1 1 164.252 1.808 10 30 ADEEMO O=CCC[N@H+]1CCC2(CCCC2)C1 307152821 345845786 /nfs/dbraw/zinc/84/57/86/345845786.db2.gz ZDEDKJKKPTXAFP-UHFFFAOYSA-N 1 1 181.279 1.842 10 30 ADEEMO C[C@H]1COCCC[N@H+]1CCS 307153420 345845907 /nfs/dbraw/zinc/84/59/07/345845907.db2.gz UCVIOKQUGDQYEV-QMMMGPOBSA-N 1 1 175.297 1.027 10 30 ADEEMO C[C@@H]1COCCC[N@H+]1CCS 307153416 345845943 /nfs/dbraw/zinc/84/59/43/345845943.db2.gz UCVIOKQUGDQYEV-MRVPVSSYSA-N 1 1 175.297 1.027 10 30 ADEEMO C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CO1 307153509 345846300 /nfs/dbraw/zinc/84/63/00/345846300.db2.gz ARHARTXGDAHSOF-KXUCPTDWSA-N 1 1 167.252 1.402 10 30 ADEEMO C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CO1 307153506 345846495 /nfs/dbraw/zinc/84/64/95/345846495.db2.gz ARHARTXGDAHSOF-AEJSXWLSSA-N 1 1 167.252 1.402 10 30 ADEEMO C[C@@H]1C[N@H+](C(C)(C)C=O)CCCO1 307158263 345850285 /nfs/dbraw/zinc/85/02/85/345850285.db2.gz SBUKWYYUODSLNG-SECBINFHSA-N 1 1 185.267 1.075 10 30 ADEEMO C[C@H]1C[N@H+](C(C)(C)C=O)CCCO1 307158264 345850435 /nfs/dbraw/zinc/85/04/35/345850435.db2.gz SBUKWYYUODSLNG-VIFPVBQESA-N 1 1 185.267 1.075 10 30 ADEEMO O=CCC[N@H+]1CCOCC12CCCC2 307166368 345858487 /nfs/dbraw/zinc/85/84/87/345858487.db2.gz OWVDUHSNESKVCB-UHFFFAOYSA-N 1 1 197.278 1.220 10 30 ADEEMO C#CC[NH2+][C@H](C)c1cc(C)n(C)n1 307169323 345862395 /nfs/dbraw/zinc/86/23/95/345862395.db2.gz XVKNKVQNATZTFA-SECBINFHSA-N 1 1 177.251 1.012 10 30 ADEEMO C#CC[NH2+][C@@H](C)c1cc(C)n(C)n1 307169324 345862474 /nfs/dbraw/zinc/86/24/74/345862474.db2.gz XVKNKVQNATZTFA-VIFPVBQESA-N 1 1 177.251 1.012 10 30 ADEEMO C=C[C@H](C)[C@@]1(C#N)CCC[NH2+]1 307170950 345863381 /nfs/dbraw/zinc/86/33/81/345863381.db2.gz LDEHCJQIPLYQGX-IUCAKERBSA-N 1 1 150.225 1.454 10 30 ADEEMO C=C[C@@H](C)[C@]1(C#N)CCC[NH2+]1 307170951 345863399 /nfs/dbraw/zinc/86/33/99/345863399.db2.gz LDEHCJQIPLYQGX-RKDXNWHRSA-N 1 1 150.225 1.454 10 30 ADEEMO C=C[C@H](C)[C@]1(C#N)CCC[NH2+]1 307170949 345863484 /nfs/dbraw/zinc/86/34/84/345863484.db2.gz LDEHCJQIPLYQGX-DTWKUNHWSA-N 1 1 150.225 1.454 10 30 ADEEMO C=C[C@@H](C)[C@@]1(C#N)CCC[NH2+]1 307170948 345863713 /nfs/dbraw/zinc/86/37/13/345863713.db2.gz LDEHCJQIPLYQGX-BDAKNGLRSA-N 1 1 150.225 1.454 10 30 ADEEMO C[C@H]1OCC[N@@H+](CCS)[C@@H]1C 307183594 345872362 /nfs/dbraw/zinc/87/23/62/345872362.db2.gz YNQGBVGACHCSMG-HTQZYQBOSA-N 1 1 175.297 1.025 10 30 ADEEMO C[C@H]1[C@@H](C)OCC[N@H+]1CCS 307183595 345872474 /nfs/dbraw/zinc/87/24/74/345872474.db2.gz YNQGBVGACHCSMG-JGVFFNPUSA-N 1 1 175.297 1.025 10 30 ADEEMO C[C@@H]1OCC[N@@H+](CCS)[C@H]1C 307183598 345872520 /nfs/dbraw/zinc/87/25/20/345872520.db2.gz YNQGBVGACHCSMG-YUMQZZPRSA-N 1 1 175.297 1.025 10 30 ADEEMO C[C@@H]1OCC[N@@H+](CCS)[C@@H]1C 307183597 345872594 /nfs/dbraw/zinc/87/25/94/345872594.db2.gz YNQGBVGACHCSMG-SFYZADRCSA-N 1 1 175.297 1.025 10 30 ADEEMO CC#CCC[C@@]1(C#N)CCC[NH2+]1 307190043 345876777 /nfs/dbraw/zinc/87/67/77/345876777.db2.gz WCMCZPGCTAMLAA-JTQLQIEISA-N 1 1 162.236 1.436 10 30 ADEEMO CC#CCC[C@]1(C#N)CCC[NH2+]1 307190044 345876785 /nfs/dbraw/zinc/87/67/85/345876785.db2.gz WCMCZPGCTAMLAA-SNVBAGLBSA-N 1 1 162.236 1.436 10 30 ADEEMO CC[C@H]1[C@@H](C)CC[N@H+]1CC=O 307194972 345880545 /nfs/dbraw/zinc/88/05/45/345880545.db2.gz KTDDMOIUCWHIFU-IUCAKERBSA-N 1 1 155.241 1.306 10 30 ADEEMO CC[C@H]1[C@H](C)CC[N@H+]1CC=O 307194969 345880681 /nfs/dbraw/zinc/88/06/81/345880681.db2.gz KTDDMOIUCWHIFU-BDAKNGLRSA-N 1 1 155.241 1.306 10 30 ADEEMO CC[C@@H]1[C@@H](C)CC[N@H+]1CC=O 307194971 345880811 /nfs/dbraw/zinc/88/08/11/345880811.db2.gz KTDDMOIUCWHIFU-DTWKUNHWSA-N 1 1 155.241 1.306 10 30 ADEEMO C=C(C)C[N@H+]1CCC[C@H]2OCC[C@H]21 307197510 345882958 /nfs/dbraw/zinc/88/29/58/345882958.db2.gz VZGANQOUHCKUNT-GHMZBOCLSA-N 1 1 181.279 1.816 10 30 ADEEMO N[NH+]=C(N)c1csc2c1CCCC2 307206707 345890554 /nfs/dbraw/zinc/89/05/54/345890554.db2.gz HVWYSYBJTVHICA-UHFFFAOYSA-N 1 1 195.291 1.206 10 30 ADEEMO SCC[N@H+]1CCC2(CCC2)C1 307223929 345902393 /nfs/dbraw/zinc/90/23/93/345902393.db2.gz AMMNIMQIFDUWNG-UHFFFAOYSA-N 1 1 171.309 1.792 10 30 ADEEMO CC(C)(C=O)[N@H+]1CC[C@@H]2CCC[C@H]21 307231130 345908197 /nfs/dbraw/zinc/90/81/97/345908197.db2.gz CBNDEURLTILSEO-VHSXEESVSA-N 1 1 181.279 1.838 10 30 ADEEMO CC(C)(C=O)[N@H+]1CC[C@@H]2CCC[C@@H]21 307231128 345908218 /nfs/dbraw/zinc/90/82/18/345908218.db2.gz CBNDEURLTILSEO-UWVGGRQHSA-N 1 1 181.279 1.838 10 30 ADEEMO CC(C)(C=O)[N@H+]1CC[C@H]2CCC[C@@H]21 307231131 345908540 /nfs/dbraw/zinc/90/85/40/345908540.db2.gz CBNDEURLTILSEO-ZJUUUORDSA-N 1 1 181.279 1.838 10 30 ADEEMO N#CCCC[N@H+]1CCC2(CC2)C1 307234579 345911519 /nfs/dbraw/zinc/91/15/19/345911519.db2.gz CZFLQYXHUJYASQ-UHFFFAOYSA-N 1 1 164.252 1.776 10 30 ADEEMO C#CC[N@H+](C)CC1CC(F)(F)C1 307235128 345911761 /nfs/dbraw/zinc/91/17/61/345911761.db2.gz FMCJXDVEBWLNNX-UHFFFAOYSA-N 1 1 173.206 1.597 10 30 ADEEMO CC(C)(C)[C@@H](C#N)C[NH+]1CCC1 307236773 345912962 /nfs/dbraw/zinc/91/29/62/345912962.db2.gz VYYWBYWXEMBGRS-VIFPVBQESA-N 1 1 166.268 1.878 10 30 ADEEMO CC(C)(C)[C@H](C#N)C[NH+]1CCC1 307236772 345913081 /nfs/dbraw/zinc/91/30/81/345913081.db2.gz VYYWBYWXEMBGRS-SECBINFHSA-N 1 1 166.268 1.878 10 30 ADEEMO C#CCC[N@@H+]1CCC[C@H]1CF 307244123 345917770 /nfs/dbraw/zinc/91/77/70/345917770.db2.gz KXKIXJJRJLIYSK-VIFPVBQESA-N 1 1 155.216 1.444 10 30 ADEEMO C#CC[N@@H+]1CC[C@H](SCC)C1 307244351 345918104 /nfs/dbraw/zinc/91/81/04/345918104.db2.gz LBDQRZCRHOARFW-VIFPVBQESA-N 1 1 169.293 1.447 10 30 ADEEMO C#CC[N@@H+]1CC[C@@H](SCC)C1 307244350 345918332 /nfs/dbraw/zinc/91/83/32/345918332.db2.gz LBDQRZCRHOARFW-SECBINFHSA-N 1 1 169.293 1.447 10 30 ADEEMO C[C@H](CC#N)[N@H+]1CCC[C@H](O)[C@H]1C 307250286 345921989 /nfs/dbraw/zinc/92/19/89/345921989.db2.gz PJMLYCSRHFCWED-BBBLOLIVSA-N 1 1 182.267 1.134 10 30 ADEEMO C[C@H]1[C@H](O)CCC[N@@H+]1[C@H](C)CC#N 307250288 345922117 /nfs/dbraw/zinc/92/21/17/345922117.db2.gz PJMLYCSRHFCWED-KXUCPTDWSA-N 1 1 182.267 1.134 10 30 ADEEMO C[C@H]1[C@@H](O)CCC[N@@H+]1[C@H](C)CC#N 307250292 345922486 /nfs/dbraw/zinc/92/24/86/345922486.db2.gz PJMLYCSRHFCWED-UTLUCORTSA-N 1 1 182.267 1.134 10 30 ADEEMO C[C@H](CC#N)[N@H+]1CCC[C@@H](O)[C@H]1C 307250290 345922566 /nfs/dbraw/zinc/92/25/66/345922566.db2.gz PJMLYCSRHFCWED-OPRDCNLKSA-N 1 1 182.267 1.134 10 30 ADEEMO C=CC(C)(C)C[N@H+]1CCN[C@H](C)C1 307254740 345925945 /nfs/dbraw/zinc/92/59/45/345925945.db2.gz YJERTDJRXIUHME-SNVBAGLBSA-N 1 1 182.311 1.492 10 30 ADEEMO C=CC(C)(C)CN1CC[NH2+][C@H](C)C1 307254740 345925948 /nfs/dbraw/zinc/92/59/48/345925948.db2.gz YJERTDJRXIUHME-SNVBAGLBSA-N 1 1 182.311 1.492 10 30 ADEEMO C=CC(C)(C)C[N@H+]1CCN[C@@H](C)C1 307254739 345926267 /nfs/dbraw/zinc/92/62/67/345926267.db2.gz YJERTDJRXIUHME-JTQLQIEISA-N 1 1 182.311 1.492 10 30 ADEEMO C=CC(C)(C)CN1CC[NH2+][C@@H](C)C1 307254739 345926268 /nfs/dbraw/zinc/92/62/68/345926268.db2.gz YJERTDJRXIUHME-JTQLQIEISA-N 1 1 182.311 1.492 10 30 ADEEMO CC(C)N[C@@]1(C#N)CC[N@@H+](C)C[C@H]1C 307255530 345927181 /nfs/dbraw/zinc/92/71/81/345927181.db2.gz ZNZDZMBVQFWGPH-GHMZBOCLSA-N 1 1 195.310 1.218 10 30 ADEEMO CC(C)N[C@@]1(C#N)CC[N@@H+](C)C[C@@H]1C 307255533 345927262 /nfs/dbraw/zinc/92/72/62/345927262.db2.gz ZNZDZMBVQFWGPH-WDEREUQCSA-N 1 1 195.310 1.218 10 30 ADEEMO CC(C)N[C@]1(C#N)CC[N@@H+](C)C[C@H]1C 307255531 345927361 /nfs/dbraw/zinc/92/73/61/345927361.db2.gz ZNZDZMBVQFWGPH-MNOVXSKESA-N 1 1 195.310 1.218 10 30 ADEEMO C=CC[NH+]1CCC(F)(C#N)CC1 307258330 345928953 /nfs/dbraw/zinc/92/89/53/345928953.db2.gz JKADKWBSNUHSNV-UHFFFAOYSA-N 1 1 168.215 1.500 10 30 ADEEMO FC(F)(F)[C@H]1CC[N@@H+](C[C@@H]2CO2)C1 307265316 345934418 /nfs/dbraw/zinc/93/44/18/345934418.db2.gz DPRRHIJTYSUCNB-NKWVEPMBSA-N 1 1 195.184 1.269 10 30 ADEEMO CC(C)(C=O)[N@H+]1CCC2(CC2)C1 307265608 345935098 /nfs/dbraw/zinc/93/50/98/345935098.db2.gz YNONLSAXCNMNBH-UHFFFAOYSA-N 1 1 167.252 1.450 10 30 ADEEMO C=C1CC[NH+](C(C)(C)CN)CC1 307273074 345939816 /nfs/dbraw/zinc/93/98/16/345939816.db2.gz VSVYGTIXHRGODI-UHFFFAOYSA-N 1 1 168.284 1.376 10 30 ADEEMO C=C1CCN([C@H]2CC[C@H]2C[NH3+])CC1 307274546 345940735 /nfs/dbraw/zinc/94/07/35/345940735.db2.gz ZNNVZTVVHCNOEI-QWRGUYRKSA-N 1 1 180.295 1.376 10 30 ADEEMO C=C1CCN([C@@H]2CC[C@@H]2C[NH3+])CC1 307274527 345940891 /nfs/dbraw/zinc/94/08/91/345940891.db2.gz ZNNVZTVVHCNOEI-GHMZBOCLSA-N 1 1 180.295 1.376 10 30 ADEEMO C=C1CCN([C@H]2CC[C@@H]2C[NH3+])CC1 307274538 345940969 /nfs/dbraw/zinc/94/09/69/345940969.db2.gz ZNNVZTVVHCNOEI-MNOVXSKESA-N 1 1 180.295 1.376 10 30 ADEEMO C=C1CCN([C@@H]2CC[C@H]2C[NH3+])CC1 307274555 345940987 /nfs/dbraw/zinc/94/09/87/345940987.db2.gz ZNNVZTVVHCNOEI-WDEREUQCSA-N 1 1 180.295 1.376 10 30 ADEEMO COc1cc(C)[nH+]cc1CC#N 307276756 345942452 /nfs/dbraw/zinc/94/24/52/345942452.db2.gz XMDLDYUABAFGLP-UHFFFAOYSA-N 1 1 162.192 1.465 10 30 ADEEMO C[C@H]1CCSCC[N@H+]1CC=O 307277832 345943097 /nfs/dbraw/zinc/94/30/97/345943097.db2.gz SMIATPBJKHNTGV-QMMMGPOBSA-N 1 1 173.281 1.013 10 30 ADEEMO CNC(=[NH+]N)c1csc(Cl)c1 307282679 345946078 /nfs/dbraw/zinc/94/60/78/345946078.db2.gz IXYWHVGABBKQBO-UHFFFAOYSA-N 1 1 189.671 1.241 10 30 ADEEMO C[Si](C)(C)C[C@@]1(C#N)CCC[NH2+]1 307287173 345948798 /nfs/dbraw/zinc/94/87/98/345948798.db2.gz TXKJHBBMXVJKOQ-VIFPVBQESA-N 1 1 182.343 1.970 10 30 ADEEMO C[Si](C)(C)C[C@]1(C#N)CCC[NH2+]1 307287172 345948843 /nfs/dbraw/zinc/94/88/43/345948843.db2.gz TXKJHBBMXVJKOQ-SECBINFHSA-N 1 1 182.343 1.970 10 30 ADEEMO CC(C)(C#N)C[NH2+]C1CSC1 307294710 345952561 /nfs/dbraw/zinc/95/25/61/345952561.db2.gz PEGNHDZAIRUOSH-UHFFFAOYSA-N 1 1 170.281 1.241 10 30 ADEEMO C#C[C@@H]([NH3+])c1sccc1F 307298130 345954449 /nfs/dbraw/zinc/95/44/49/345954449.db2.gz TVCNVZZIDJYICA-ZCFIWIBFSA-N 1 1 155.197 1.520 10 30 ADEEMO C#C[C@H]([NH3+])c1sccc1F 307298129 345954540 /nfs/dbraw/zinc/95/45/40/345954540.db2.gz TVCNVZZIDJYICA-LURJTMIESA-N 1 1 155.197 1.520 10 30 ADEEMO C1CCC2(C1)CCC[N@@H+]2C[C@H]1CO1 307300059 345955214 /nfs/dbraw/zinc/95/52/14/345955214.db2.gz BTSAEPAMLLPYNN-JTQLQIEISA-N 1 1 181.279 1.794 10 30 ADEEMO C1CCC2(C1)CCC[N@@H+]2C[C@@H]1CO1 307300061 345955366 /nfs/dbraw/zinc/95/53/66/345955366.db2.gz BTSAEPAMLLPYNN-SNVBAGLBSA-N 1 1 181.279 1.794 10 30 ADEEMO C=C([C@@H]([NH3+])C(F)F)C(F)(F)F 307305428 345959593 /nfs/dbraw/zinc/95/95/93/345959593.db2.gz IGRXVQRNTCWZKI-GSVOUGTGSA-N 1 1 175.100 1.697 10 30 ADEEMO C=C([C@H]([NH3+])C(F)F)C(F)(F)F 307305430 345959612 /nfs/dbraw/zinc/95/96/12/345959612.db2.gz IGRXVQRNTCWZKI-VKHMYHEASA-N 1 1 175.100 1.697 10 30 ADEEMO C=C(C)C[N@H+]1CCN[C@H](C)[C@H]1C 307308117 345960509 /nfs/dbraw/zinc/96/05/09/345960509.db2.gz DYKOWHKWKIBOLP-NXEZZACHSA-N 1 1 168.284 1.245 10 30 ADEEMO C=C(C)C[N@@H+]1CCN[C@H](C)[C@H]1C 307308117 345960510 /nfs/dbraw/zinc/96/05/10/345960510.db2.gz DYKOWHKWKIBOLP-NXEZZACHSA-N 1 1 168.284 1.245 10 30 ADEEMO C=C(C)C[N@H+]1CCN[C@@H](C)[C@@H]1C 307308118 345961124 /nfs/dbraw/zinc/96/11/24/345961124.db2.gz DYKOWHKWKIBOLP-UWVGGRQHSA-N 1 1 168.284 1.245 10 30 ADEEMO C=C(C)C[N@@H+]1CCN[C@@H](C)[C@@H]1C 307308118 345961126 /nfs/dbraw/zinc/96/11/26/345961126.db2.gz DYKOWHKWKIBOLP-UWVGGRQHSA-N 1 1 168.284 1.245 10 30 ADEEMO C=C(C)C[N@H+]1CCN[C@H](C)[C@@H]1C 307308120 345961319 /nfs/dbraw/zinc/96/13/19/345961319.db2.gz DYKOWHKWKIBOLP-ZJUUUORDSA-N 1 1 168.284 1.245 10 30 ADEEMO C=C(C)C[N@@H+]1CCN[C@H](C)[C@@H]1C 307308120 345961322 /nfs/dbraw/zinc/96/13/22/345961322.db2.gz DYKOWHKWKIBOLP-ZJUUUORDSA-N 1 1 168.284 1.245 10 30 ADEEMO C=C(C)C[N@H+]1CCN[C@@H](C)[C@H]1C 307308119 345961363 /nfs/dbraw/zinc/96/13/63/345961363.db2.gz DYKOWHKWKIBOLP-VHSXEESVSA-N 1 1 168.284 1.245 10 30 ADEEMO C=C(C)C[N@@H+]1CCN[C@@H](C)[C@H]1C 307308119 345961365 /nfs/dbraw/zinc/96/13/65/345961365.db2.gz DYKOWHKWKIBOLP-VHSXEESVSA-N 1 1 168.284 1.245 10 30 ADEEMO Cc1n[nH]c(C)c1NC1=[NH+]CCC1 307311659 345963648 /nfs/dbraw/zinc/96/36/48/345963648.db2.gz CHLWEKQHVFZGAU-UHFFFAOYSA-N 1 1 178.239 1.440 10 30 ADEEMO O=CC[N@H+]1CC[C@@H]2CCC[C@@H]21 307317826 345967059 /nfs/dbraw/zinc/96/70/59/345967059.db2.gz LFZYTJYPQQPLKJ-IUCAKERBSA-N 1 1 153.225 1.060 10 30 ADEEMO C[C@@H]1CSCC[N@@H+](CCS)C1 307317741 345967125 /nfs/dbraw/zinc/96/71/25/345967125.db2.gz PCOPVLHDDKHKME-QMMMGPOBSA-N 1 1 191.365 1.601 10 30 ADEEMO O=CC[N@H+]1CC[C@H]2CCC[C@@H]21 307317824 345967186 /nfs/dbraw/zinc/96/71/86/345967186.db2.gz LFZYTJYPQQPLKJ-BDAKNGLRSA-N 1 1 153.225 1.060 10 30 ADEEMO O=CC[N@H+]1CC[C@H]2CCC[C@H]21 307317827 345967196 /nfs/dbraw/zinc/96/71/96/345967196.db2.gz LFZYTJYPQQPLKJ-RKDXNWHRSA-N 1 1 153.225 1.060 10 30 ADEEMO C[C@H]1CSCC[N@@H+](CCS)C1 307317740 345967333 /nfs/dbraw/zinc/96/73/33/345967333.db2.gz PCOPVLHDDKHKME-MRVPVSSYSA-N 1 1 191.365 1.601 10 30 ADEEMO O=CC[N@H+]1CC[C@@H]2CCC[C@H]21 307317825 345967349 /nfs/dbraw/zinc/96/73/49/345967349.db2.gz LFZYTJYPQQPLKJ-DTWKUNHWSA-N 1 1 153.225 1.060 10 30 ADEEMO C#CC[NH2+][C@H]1C[C@@H](C)n2ccnc21 307324057 345970999 /nfs/dbraw/zinc/97/09/99/345970999.db2.gz DKVTXNIRJFUPLM-BDAKNGLRSA-N 1 1 175.235 1.112 10 30 ADEEMO C#CC[NH2+][C@H]1C[C@H](C)n2ccnc21 307324061 345971114 /nfs/dbraw/zinc/97/11/14/345971114.db2.gz DKVTXNIRJFUPLM-IUCAKERBSA-N 1 1 175.235 1.112 10 30 ADEEMO C#CC[NH2+][C@@H]1C[C@@H](C)n2ccnc21 307324065 345971159 /nfs/dbraw/zinc/97/11/59/345971159.db2.gz DKVTXNIRJFUPLM-RKDXNWHRSA-N 1 1 175.235 1.112 10 30 ADEEMO C#CC[NH2+][C@@H]1C[C@H](C)n2ccnc21 307324059 345971181 /nfs/dbraw/zinc/97/11/81/345971181.db2.gz DKVTXNIRJFUPLM-DTWKUNHWSA-N 1 1 175.235 1.112 10 30 ADEEMO C#CCC[NH2+][C@@H]1CCCC1(F)F 307349563 345987289 /nfs/dbraw/zinc/98/72/89/345987289.db2.gz SEDSZKCXLXSUJM-MRVPVSSYSA-N 1 1 173.206 1.787 10 30 ADEEMO C#CCC[NH2+][C@H]1CCCC1(F)F 307349564 345987311 /nfs/dbraw/zinc/98/73/11/345987311.db2.gz SEDSZKCXLXSUJM-QMMMGPOBSA-N 1 1 173.206 1.787 10 30 ADEEMO C[C@@H]1CSCC[N@H+]1C(C)(C)C=O 307351435 345988168 /nfs/dbraw/zinc/98/81/68/345988168.db2.gz BGISGOUFHCDSPM-MRVPVSSYSA-N 1 1 187.308 1.401 10 30 ADEEMO C=C[C@@H]([NH3+])C(C)(F)F 307351120 345988177 /nfs/dbraw/zinc/98/81/77/345988177.db2.gz JHLJVPAYTJASGN-SCSAIBSYSA-N 1 1 121.130 1.155 10 30 ADEEMO C[C@H]1CSCC[N@H+]1C(C)(C)C=O 307351437 345988359 /nfs/dbraw/zinc/98/83/59/345988359.db2.gz BGISGOUFHCDSPM-QMMMGPOBSA-N 1 1 187.308 1.401 10 30 ADEEMO C=C[C@H]([NH3+])C(C)(F)F 307351119 345988403 /nfs/dbraw/zinc/98/84/03/345988403.db2.gz JHLJVPAYTJASGN-BYPYZUCNSA-N 1 1 121.130 1.155 10 30 ADEEMO C[N@@H+](CC=O)C1CC(C)(C)C1 307356156 345991360 /nfs/dbraw/zinc/99/13/60/345991360.db2.gz XSCQXAVSWBPKAU-UHFFFAOYSA-N 1 1 155.241 1.306 10 30 ADEEMO CC(C)N[C@@]1(C#N)CCC[NH2+][C@@H]1C 307374288 346002744 /nfs/dbraw/zinc/00/27/44/346002744.db2.gz SRHGUJXYAUAEDA-NXEZZACHSA-N 1 1 181.283 1.019 10 30 ADEEMO CC(C)N[C@]1(C#N)CCC[NH2+][C@H]1C 307374289 346002752 /nfs/dbraw/zinc/00/27/52/346002752.db2.gz SRHGUJXYAUAEDA-UWVGGRQHSA-N 1 1 181.283 1.019 10 30 ADEEMO CC(C)N[C@@]1(C#N)CCC[NH2+][C@H]1C 307374290 346002830 /nfs/dbraw/zinc/00/28/30/346002830.db2.gz SRHGUJXYAUAEDA-VHSXEESVSA-N 1 1 181.283 1.019 10 30 ADEEMO CC(C)N[C@]1(C#N)CCC[NH2+][C@@H]1C 307374291 346002853 /nfs/dbraw/zinc/00/28/53/346002853.db2.gz SRHGUJXYAUAEDA-ZJUUUORDSA-N 1 1 181.283 1.019 10 30 ADEEMO C=C(C)CC[N@H+]1CC[C@@H](N)[C@H]1C 307376628 346003792 /nfs/dbraw/zinc/00/37/92/346003792.db2.gz WDMWPBGADZEHRD-NXEZZACHSA-N 1 1 168.284 1.374 10 30 ADEEMO C=C(C)CC[N@@H+]1CC[C@@H](N)[C@H]1C 307376628 346003794 /nfs/dbraw/zinc/00/37/94/346003794.db2.gz WDMWPBGADZEHRD-NXEZZACHSA-N 1 1 168.284 1.374 10 30 ADEEMO C=C(C)CC[N@H+]1CC[C@H](N)[C@H]1C 307376631 346004114 /nfs/dbraw/zinc/00/41/14/346004114.db2.gz WDMWPBGADZEHRD-ZJUUUORDSA-N 1 1 168.284 1.374 10 30 ADEEMO C=C(C)CC[N@@H+]1CC[C@H](N)[C@H]1C 307376631 346004117 /nfs/dbraw/zinc/00/41/17/346004117.db2.gz WDMWPBGADZEHRD-ZJUUUORDSA-N 1 1 168.284 1.374 10 30 ADEEMO C=C(C)CC[N@H+]1CC[C@@H](N)[C@@H]1C 307376630 346004331 /nfs/dbraw/zinc/00/43/31/346004331.db2.gz WDMWPBGADZEHRD-VHSXEESVSA-N 1 1 168.284 1.374 10 30 ADEEMO C=C(C)CC[N@@H+]1CC[C@@H](N)[C@@H]1C 307376630 346004334 /nfs/dbraw/zinc/00/43/34/346004334.db2.gz WDMWPBGADZEHRD-VHSXEESVSA-N 1 1 168.284 1.374 10 30 ADEEMO C=C(C)CC[N@H+]1CC[C@H](N)[C@@H]1C 307376629 346004427 /nfs/dbraw/zinc/00/44/27/346004427.db2.gz WDMWPBGADZEHRD-UWVGGRQHSA-N 1 1 168.284 1.374 10 30 ADEEMO C=C(C)CC[N@@H+]1CC[C@H](N)[C@@H]1C 307376629 346004428 /nfs/dbraw/zinc/00/44/28/346004428.db2.gz WDMWPBGADZEHRD-UWVGGRQHSA-N 1 1 168.284 1.374 10 30 ADEEMO CS[C@@H]1CCC[N@H+](CC=O)C1 307378133 346004550 /nfs/dbraw/zinc/00/45/50/346004550.db2.gz XOBWONVNCBTFCN-MRVPVSSYSA-N 1 1 173.281 1.013 10 30 ADEEMO CS[C@@H]1CCC[N@@H+](CC=O)C1 307378133 346004551 /nfs/dbraw/zinc/00/45/51/346004551.db2.gz XOBWONVNCBTFCN-MRVPVSSYSA-N 1 1 173.281 1.013 10 30 ADEEMO CS[C@H]1CCC[N@H+](CC=O)C1 307378134 346004855 /nfs/dbraw/zinc/00/48/55/346004855.db2.gz XOBWONVNCBTFCN-QMMMGPOBSA-N 1 1 173.281 1.013 10 30 ADEEMO CS[C@H]1CCC[N@@H+](CC=O)C1 307378134 346004858 /nfs/dbraw/zinc/00/48/58/346004858.db2.gz XOBWONVNCBTFCN-QMMMGPOBSA-N 1 1 173.281 1.013 10 30 ADEEMO C[C@H]1CCC[N@H+]1C(C)(C)C=O 307381585 346006347 /nfs/dbraw/zinc/00/63/47/346006347.db2.gz HBOARNPZQDHQKJ-QMMMGPOBSA-N 1 1 155.241 1.448 10 30 ADEEMO C[C@@H]1CCC[N@H+]1C(C)(C)C=O 307381584 346006446 /nfs/dbraw/zinc/00/64/46/346006446.db2.gz HBOARNPZQDHQKJ-MRVPVSSYSA-N 1 1 155.241 1.448 10 30 ADEEMO Cc1cc(C(NC(C)C)=[NH+]N)cs1 307382721 346006981 /nfs/dbraw/zinc/00/69/81/346006981.db2.gz GYCRAZVBPJZXBG-UHFFFAOYSA-N 1 1 197.307 1.675 10 30 ADEEMO C#C[C@H](CC)[N@@H+]1CCN[C@H](C)[C@H]1C 307387157 346009437 /nfs/dbraw/zinc/00/94/37/346009437.db2.gz MDENHYMEHXETRA-GMTAPVOTSA-N 1 1 180.295 1.080 10 30 ADEEMO C#C[C@H](CC)[N@H+]1CCN[C@H](C)[C@H]1C 307387157 346009439 /nfs/dbraw/zinc/00/94/39/346009439.db2.gz MDENHYMEHXETRA-GMTAPVOTSA-N 1 1 180.295 1.080 10 30 ADEEMO C#C[C@H](CC)[N@@H+]1CCN[C@H](C)[C@@H]1C 307387159 346009641 /nfs/dbraw/zinc/00/96/41/346009641.db2.gz MDENHYMEHXETRA-OUAUKWLOSA-N 1 1 180.295 1.080 10 30 ADEEMO C#C[C@H](CC)[N@H+]1CCN[C@H](C)[C@@H]1C 307387159 346009642 /nfs/dbraw/zinc/00/96/42/346009642.db2.gz MDENHYMEHXETRA-OUAUKWLOSA-N 1 1 180.295 1.080 10 30 ADEEMO C#C[C@H](CC)[N@@H+]1CCN[C@@H](C)[C@H]1C 307387158 346009661 /nfs/dbraw/zinc/00/96/61/346009661.db2.gz MDENHYMEHXETRA-HBNTYKKESA-N 1 1 180.295 1.080 10 30 ADEEMO C#C[C@H](CC)[N@H+]1CCN[C@@H](C)[C@H]1C 307387158 346009663 /nfs/dbraw/zinc/00/96/63/346009663.db2.gz MDENHYMEHXETRA-HBNTYKKESA-N 1 1 180.295 1.080 10 30 ADEEMO C#C[C@H](CC)[N@@H+]1CCN[C@@H](C)[C@@H]1C 307387156 346009718 /nfs/dbraw/zinc/00/97/18/346009718.db2.gz MDENHYMEHXETRA-GARJFASQSA-N 1 1 180.295 1.080 10 30 ADEEMO C#C[C@H](CC)[N@H+]1CCN[C@@H](C)[C@@H]1C 307387156 346009719 /nfs/dbraw/zinc/00/97/19/346009719.db2.gz MDENHYMEHXETRA-GARJFASQSA-N 1 1 180.295 1.080 10 30 ADEEMO C=C[C@H](C)[N@@H+]1CCN[C@@H](C)[C@H]1C 307391713 346012336 /nfs/dbraw/zinc/01/23/36/346012336.db2.gz WXMMIESRGCDVDH-LPEHRKFASA-N 1 1 168.284 1.243 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCN[C@@H](C)[C@H]1C 307391713 346012338 /nfs/dbraw/zinc/01/23/38/346012338.db2.gz WXMMIESRGCDVDH-LPEHRKFASA-N 1 1 168.284 1.243 10 30 ADEEMO C#CCNc1[nH+]cc(C)cc1C 307391586 346012372 /nfs/dbraw/zinc/01/23/72/346012372.db2.gz WOPUKRFPYLCHNA-UHFFFAOYSA-N 1 1 160.220 1.744 10 30 ADEEMO C=C[C@H](C)[N@@H+]1CCN[C@H](C)[C@@H]1C 307391710 346012401 /nfs/dbraw/zinc/01/24/01/346012401.db2.gz WXMMIESRGCDVDH-AEJSXWLSSA-N 1 1 168.284 1.243 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCN[C@H](C)[C@@H]1C 307391710 346012402 /nfs/dbraw/zinc/01/24/02/346012402.db2.gz WXMMIESRGCDVDH-AEJSXWLSSA-N 1 1 168.284 1.243 10 30 ADEEMO C1CC2(C1)CC[N@H+](C[C@@H]1CO1)C2 307391787 346012415 /nfs/dbraw/zinc/01/24/15/346012415.db2.gz XCJFVDVWCUOJDP-SECBINFHSA-N 1 1 167.252 1.261 10 30 ADEEMO C=C[C@H](C)[N@@H+]1CCN[C@H](C)[C@H]1C 307391712 346012503 /nfs/dbraw/zinc/01/25/03/346012503.db2.gz WXMMIESRGCDVDH-IVZWLZJFSA-N 1 1 168.284 1.243 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCN[C@H](C)[C@H]1C 307391712 346012504 /nfs/dbraw/zinc/01/25/04/346012504.db2.gz WXMMIESRGCDVDH-IVZWLZJFSA-N 1 1 168.284 1.243 10 30 ADEEMO C=C[C@H](C)[N@@H+]1CCN[C@@H](C)[C@@H]1C 307391711 346012542 /nfs/dbraw/zinc/01/25/42/346012542.db2.gz WXMMIESRGCDVDH-GUBZILKMSA-N 1 1 168.284 1.243 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCN[C@@H](C)[C@@H]1C 307391711 346012543 /nfs/dbraw/zinc/01/25/43/346012543.db2.gz WXMMIESRGCDVDH-GUBZILKMSA-N 1 1 168.284 1.243 10 30 ADEEMO C/C=N/O[C@H]1CCC[N@@H+](C)C1 307396606 346015650 /nfs/dbraw/zinc/01/56/50/346015650.db2.gz PFMIFILUUXMLTB-FVKOELHVSA-N 1 1 156.229 1.103 10 30 ADEEMO C/C=N/O[C@@H]1CCC[N@@H+](C)C1 307396607 346015869 /nfs/dbraw/zinc/01/58/69/346015869.db2.gz PFMIFILUUXMLTB-KLUICZCQSA-N 1 1 156.229 1.103 10 30 ADEEMO C=CCC[C@@]1(O)CCC[N@H+](C)CC1 307397454 346016229 /nfs/dbraw/zinc/01/62/29/346016229.db2.gz RAGBIKLEAYHBLG-LLVKDONJSA-N 1 1 183.295 1.799 10 30 ADEEMO C=CCC[C@]1(O)CCC[N@H+](C)CC1 307397455 346016512 /nfs/dbraw/zinc/01/65/12/346016512.db2.gz RAGBIKLEAYHBLG-NSHDSACASA-N 1 1 183.295 1.799 10 30 ADEEMO Cc1[nH+]cc(C2=CC(=O)CC2)n1C 307407383 346023695 /nfs/dbraw/zinc/02/36/95/346023695.db2.gz CJKFREJDNNCMDP-UHFFFAOYSA-N 1 1 176.219 1.475 10 30 ADEEMO N#CC[NH+]1C[C@@H]2C3CCC(CC3)[C@H]2C1 307437989 346040083 /nfs/dbraw/zinc/04/00/83/346040083.db2.gz MIJLZCWQSBCYPQ-KIDURHIOSA-N 1 1 190.290 1.878 10 30 ADEEMO N#CC[NH+]1C[C@H]2C3CCC(CC3)[C@@H]2C1 307437991 346040278 /nfs/dbraw/zinc/04/02/78/346040278.db2.gz MIJLZCWQSBCYPQ-QQFIATSDSA-N 1 1 190.290 1.878 10 30 ADEEMO C#CCC[N@H+](C)[C@@H]1CN2CCC1CC2 307440391 346041293 /nfs/dbraw/zinc/04/12/93/346041293.db2.gz YFEWULHFGHAUGM-GFCCVEGCSA-N 1 1 192.306 1.036 10 30 ADEEMO C#CCCN(C)[C@@H]1C[NH+]2CCC1CC2 307440391 346041295 /nfs/dbraw/zinc/04/12/95/346041295.db2.gz YFEWULHFGHAUGM-GFCCVEGCSA-N 1 1 192.306 1.036 10 30 ADEEMO C#CCC[N@H+](C)[C@H]1CN2CCC1CC2 307440392 346041380 /nfs/dbraw/zinc/04/13/80/346041380.db2.gz YFEWULHFGHAUGM-LBPRGKRZSA-N 1 1 192.306 1.036 10 30 ADEEMO C#CCCN(C)[C@H]1C[NH+]2CCC1CC2 307440392 346041385 /nfs/dbraw/zinc/04/13/85/346041385.db2.gz YFEWULHFGHAUGM-LBPRGKRZSA-N 1 1 192.306 1.036 10 30 ADEEMO C#CCO[NH+]=C1CCCCCN1 307440492 346041890 /nfs/dbraw/zinc/04/18/90/346041890.db2.gz XSLHHNYZSHMAHL-UHFFFAOYSA-N 1 1 166.224 1.113 10 30 ADEEMO CC1(C)[C@H]2C[N@H+](C(C)(C)C=O)C[C@H]21 307441875 346042565 /nfs/dbraw/zinc/04/25/65/346042565.db2.gz ZWJHWDNAMZMHIT-DTORHVGOSA-N 1 1 181.279 1.552 10 30 ADEEMO CC#CC[N@@H+](C)C[C@@H]1CCCO1 307444353 346044090 /nfs/dbraw/zinc/04/40/90/346044090.db2.gz BULXTUATZGXTMO-JTQLQIEISA-N 1 1 167.252 1.121 10 30 ADEEMO C#CCCC[N@@H+]1CC[C@@H](N)C(C)(C)C1 307483994 346067822 /nfs/dbraw/zinc/06/78/22/346067822.db2.gz TUEZFNUZKFAJPG-LLVKDONJSA-N 1 1 194.322 1.459 10 30 ADEEMO C#CCCC[N@@H+]1CC[C@H](N)C(C)(C)C1 307483995 346067995 /nfs/dbraw/zinc/06/79/95/346067995.db2.gz TUEZFNUZKFAJPG-NSHDSACASA-N 1 1 194.322 1.459 10 30 ADEEMO C#CCCC[N@H+]1CC[C@H](N)C(C)(C)C1 307483995 346067996 /nfs/dbraw/zinc/06/79/96/346067996.db2.gz TUEZFNUZKFAJPG-NSHDSACASA-N 1 1 194.322 1.459 10 30 ADEEMO C=C[C@H](C)N1CC[C@]2(CC[NH2+]C2)C1 307488643 346070569 /nfs/dbraw/zinc/07/05/69/346070569.db2.gz ONUOSOUWPCQFDC-QWRGUYRKSA-N 1 1 180.295 1.246 10 30 ADEEMO C=C[C@@H](C)N1CC[C@@]2(CC[NH2+]C2)C1 307488630 346070647 /nfs/dbraw/zinc/07/06/47/346070647.db2.gz ONUOSOUWPCQFDC-GHMZBOCLSA-N 1 1 180.295 1.246 10 30 ADEEMO CC#CC[N@H+](C)Cc1cccc(N)n1 307494924 346074280 /nfs/dbraw/zinc/07/42/80/346074280.db2.gz HWAWHDZYQALRJM-UHFFFAOYSA-N 1 1 189.262 1.119 10 30 ADEEMO CC#CC[N@@H+](C)Cc1cccc(N)n1 307494924 346074281 /nfs/dbraw/zinc/07/42/81/346074281.db2.gz HWAWHDZYQALRJM-UHFFFAOYSA-N 1 1 189.262 1.119 10 30 ADEEMO CC(C)(C=O)[N@H+]1CC2CCC1CC2 307506378 346079994 /nfs/dbraw/zinc/07/99/94/346079994.db2.gz LSICUFTXFFDUHP-UHFFFAOYSA-N 1 1 181.279 1.838 10 30 ADEEMO CC1(C)C[N@@H+](CCS)CC[C@@H]1O 307507019 346080352 /nfs/dbraw/zinc/08/03/52/346080352.db2.gz MDCXAXLUVWDQGK-QMMMGPOBSA-N 1 1 189.324 1.009 10 30 ADEEMO CC1(C)C[N@@H+](CCS)CC[C@H]1O 307507016 346080425 /nfs/dbraw/zinc/08/04/25/346080425.db2.gz MDCXAXLUVWDQGK-MRVPVSSYSA-N 1 1 189.324 1.009 10 30 ADEEMO C[C@H]1CC[N@@H+](CCS)CCS1 307510238 346082484 /nfs/dbraw/zinc/08/24/84/346082484.db2.gz BMRQLLHBZQKLDN-QMMMGPOBSA-N 1 1 191.365 1.744 10 30 ADEEMO C[C@@H]1CC[N@@H+](CCS)CCS1 307510234 346082575 /nfs/dbraw/zinc/08/25/75/346082575.db2.gz BMRQLLHBZQKLDN-MRVPVSSYSA-N 1 1 191.365 1.744 10 30 ADEEMO CC1C[NH+](Cc2ccc(C#N)o2)C1 307528265 346093176 /nfs/dbraw/zinc/09/31/76/346093176.db2.gz GKQYYFLGTASRRA-UHFFFAOYSA-N 1 1 176.219 1.603 10 30 ADEEMO C[C@H]1[C@H](C)CC[N@@H+]1C(C)(C)C=O 307545300 346103862 /nfs/dbraw/zinc/10/38/62/346103862.db2.gz JLGIATPLZWBZKQ-BDAKNGLRSA-N 1 1 169.268 1.694 10 30 ADEEMO C[C@@H]1CC[N@H+](C(C)(C)C=O)[C@@H]1C 307545303 346103873 /nfs/dbraw/zinc/10/38/73/346103873.db2.gz JLGIATPLZWBZKQ-RKDXNWHRSA-N 1 1 169.268 1.694 10 30 ADEEMO C[C@H]1CC[N@H+](C(C)(C)C=O)[C@@H]1C 307545301 346103993 /nfs/dbraw/zinc/10/39/93/346103993.db2.gz JLGIATPLZWBZKQ-DTWKUNHWSA-N 1 1 169.268 1.694 10 30 ADEEMO C[C@H]1CC[N@H+](C(C)(C)C=O)[C@H]1C 307545302 346104089 /nfs/dbraw/zinc/10/40/89/346104089.db2.gz JLGIATPLZWBZKQ-IUCAKERBSA-N 1 1 169.268 1.694 10 30 ADEEMO CC(C)(C=O)[N@H+]1CCCSCC1 307557316 346111249 /nfs/dbraw/zinc/11/12/49/346111249.db2.gz BNBFNVJVTCJPCG-UHFFFAOYSA-N 1 1 187.308 1.403 10 30 ADEEMO C=CC[NH2+][C@@H]1CCCC1(F)F 307580962 346126713 /nfs/dbraw/zinc/12/67/13/346126713.db2.gz ZKXJAAWCYVQAFN-SSDOTTSWSA-N 1 1 161.195 1.950 10 30 ADEEMO C[C@H]1CC[N@@H+](CCS)[C@H]1C 307585686 346129751 /nfs/dbraw/zinc/12/97/51/346129751.db2.gz MQXWMSXORAWZKA-YUMQZZPRSA-N 1 1 159.298 1.647 10 30 ADEEMO C[C@@H]1CC[N@@H+](CCS)[C@@H]1C 307585683 346129844 /nfs/dbraw/zinc/12/98/44/346129844.db2.gz MQXWMSXORAWZKA-HTQZYQBOSA-N 1 1 159.298 1.647 10 30 ADEEMO C[C@H]1CC[N@@H+](CCS)[C@@H]1C 307585684 346129856 /nfs/dbraw/zinc/12/98/56/346129856.db2.gz MQXWMSXORAWZKA-JGVFFNPUSA-N 1 1 159.298 1.647 10 30 ADEEMO C[C@H]1[C@H](C)CC[N@H+]1CCS 307585685 346129958 /nfs/dbraw/zinc/12/99/58/346129958.db2.gz MQXWMSXORAWZKA-SFYZADRCSA-N 1 1 159.298 1.647 10 30 ADEEMO C=C(CS)C[N@@H+]1C[C@H]2C[C@H]2C1 307591201 346133334 /nfs/dbraw/zinc/13/33/34/346133334.db2.gz DDSNXQFXDXHZKK-DTORHVGOSA-N 1 1 169.293 1.424 10 30 ADEEMO C#C[C@](C)(CC)[N@@H+]1CCN[C@H](C)C1 307599576 346138537 /nfs/dbraw/zinc/13/85/37/346138537.db2.gz RDFJZWZZSSSWFC-GHMZBOCLSA-N 1 1 180.295 1.082 10 30 ADEEMO C#C[C@](C)(CC)[N@H+]1CCN[C@H](C)C1 307599576 346138539 /nfs/dbraw/zinc/13/85/39/346138539.db2.gz RDFJZWZZSSSWFC-GHMZBOCLSA-N 1 1 180.295 1.082 10 30 ADEEMO C#C[C@@](C)(CC)[N@@H+]1CCN[C@H](C)C1 307599578 346138607 /nfs/dbraw/zinc/13/86/07/346138607.db2.gz RDFJZWZZSSSWFC-MNOVXSKESA-N 1 1 180.295 1.082 10 30 ADEEMO C#C[C@@](C)(CC)[N@H+]1CCN[C@H](C)C1 307599578 346138609 /nfs/dbraw/zinc/13/86/09/346138609.db2.gz RDFJZWZZSSSWFC-MNOVXSKESA-N 1 1 180.295 1.082 10 30 ADEEMO C#C[C@@](C)(CC)[N@@H+]1CCN[C@@H](C)C1 307599580 346138664 /nfs/dbraw/zinc/13/86/64/346138664.db2.gz RDFJZWZZSSSWFC-QWRGUYRKSA-N 1 1 180.295 1.082 10 30 ADEEMO C#C[C@@](C)(CC)[N@H+]1CCN[C@@H](C)C1 307599580 346138666 /nfs/dbraw/zinc/13/86/66/346138666.db2.gz RDFJZWZZSSSWFC-QWRGUYRKSA-N 1 1 180.295 1.082 10 30 ADEEMO CC1(C)SC[C@H]1[NH2+]CCC#N 307600136 346138911 /nfs/dbraw/zinc/13/89/11/346138911.db2.gz SEJMSQRGTFGEPN-SSDOTTSWSA-N 1 1 170.281 1.384 10 30 ADEEMO C#C[C@](C)(CC)[N@@H+]1CCN[C@@H](C)C1 307599582 346139079 /nfs/dbraw/zinc/13/90/79/346139079.db2.gz RDFJZWZZSSSWFC-WDEREUQCSA-N 1 1 180.295 1.082 10 30 ADEEMO C#C[C@](C)(CC)[N@H+]1CCN[C@@H](C)C1 307599582 346139082 /nfs/dbraw/zinc/13/90/82/346139082.db2.gz RDFJZWZZSSSWFC-WDEREUQCSA-N 1 1 180.295 1.082 10 30 ADEEMO CC1(C)SC[C@@H]1[NH2+]CCC#N 307600138 346139154 /nfs/dbraw/zinc/13/91/54/346139154.db2.gz SEJMSQRGTFGEPN-ZETCQYMHSA-N 1 1 170.281 1.384 10 30 ADEEMO CC(C)(C=O)[N@@H+]1C[C@H]2CCC[C@H]2C1 307601105 346139391 /nfs/dbraw/zinc/13/93/91/346139391.db2.gz RTRYTZPJGIDVKO-AOOOYVTPSA-N 1 1 181.279 1.696 10 30 ADEEMO CC(C)[N@@H+](C)C(C)(C)C=O 307603946 346141356 /nfs/dbraw/zinc/14/13/56/346141356.db2.gz UYFALECKRIPJIP-UHFFFAOYSA-N 1 1 143.230 1.304 10 30 ADEEMO COc1cc(C)[nH+]c(CS)c1 307607917 346143854 /nfs/dbraw/zinc/14/38/54/346143854.db2.gz CIZXZFZCVGKIFV-UHFFFAOYSA-N 1 1 169.249 1.828 10 30 ADEEMO C[C@H](C#N)C[NH2+]CC1(F)CC1 307609954 346144946 /nfs/dbraw/zinc/14/49/46/346144946.db2.gz GIDYWVXKPFQKAJ-SSDOTTSWSA-N 1 1 156.204 1.238 10 30 ADEEMO C[C@@H](C#N)C[NH2+]CC1(F)CC1 307609955 346144995 /nfs/dbraw/zinc/14/49/95/346144995.db2.gz GIDYWVXKPFQKAJ-ZETCQYMHSA-N 1 1 156.204 1.238 10 30 ADEEMO C[C@H](CC#N)[N@@H+](C)[C@H]1CCC[C@@]1(C)O 307618171 346150662 /nfs/dbraw/zinc/15/06/62/346150662.db2.gz YCYQZRNWQRZIOU-OUAUKWLOSA-N 1 1 196.294 1.524 10 30 ADEEMO C[C@H](CC#N)[N@@H+](C)[C@@H]1CCC[C@]1(C)O 307618170 346150672 /nfs/dbraw/zinc/15/06/72/346150672.db2.gz YCYQZRNWQRZIOU-MXWKQRLJSA-N 1 1 196.294 1.524 10 30 ADEEMO C[C@H](CC#N)[N@@H+](C)[C@H]1CCC[C@]1(C)O 307618172 346150682 /nfs/dbraw/zinc/15/06/82/346150682.db2.gz YCYQZRNWQRZIOU-VWYCJHECSA-N 1 1 196.294 1.524 10 30 ADEEMO C[C@H](CC#N)[N@@H+](C)[C@@H]1CCC[C@@]1(C)O 307618169 346151032 /nfs/dbraw/zinc/15/10/32/346151032.db2.gz YCYQZRNWQRZIOU-GMTAPVOTSA-N 1 1 196.294 1.524 10 30 ADEEMO N#C[C@@]1([NH3+])CC2CCC1CC2 307635372 346160316 /nfs/dbraw/zinc/16/03/16/346160316.db2.gz VBPNQHZKLUPDBG-HACHORDNSA-N 1 1 150.225 1.418 10 30 ADEEMO N#C[C@]1([NH3+])CC2CCC1CC2 307635371 346160539 /nfs/dbraw/zinc/16/05/39/346160539.db2.gz VBPNQHZKLUPDBG-AMDVSUOASA-N 1 1 150.225 1.418 10 30 ADEEMO SCC[N@H+]1CCC[C@]12CCOC2 307641660 346163637 /nfs/dbraw/zinc/16/36/37/346163637.db2.gz IXGPISDFIXOSPT-SECBINFHSA-N 1 1 187.308 1.171 10 30 ADEEMO SCC[N@H+]1CCC[C@@]12CCOC2 307641661 346163898 /nfs/dbraw/zinc/16/38/98/346163898.db2.gz IXGPISDFIXOSPT-VIFPVBQESA-N 1 1 187.308 1.171 10 30 ADEEMO C1CC2CCC1C[N@@H+]2C[C@H]1CO1 307651125 346166749 /nfs/dbraw/zinc/16/67/49/346166749.db2.gz RJCRKSBIIXWVRH-RTBKNWGFSA-N 1 1 167.252 1.260 10 30 ADEEMO C1CC2CCC1C[N@@H+]2C[C@@H]1CO1 307651127 346166946 /nfs/dbraw/zinc/16/69/46/346166946.db2.gz RJCRKSBIIXWVRH-UDNWOFFPSA-N 1 1 167.252 1.260 10 30 ADEEMO C[C@H]1CC[N@H+](C(C)(C)C=O)C1 307658395 346169166 /nfs/dbraw/zinc/16/91/66/346169166.db2.gz RYFOBINCTDZQIE-QMMMGPOBSA-N 1 1 155.241 1.306 10 30 ADEEMO C[C@@H]1CC[N@H+](C(C)(C)C=O)C1 307658389 346169490 /nfs/dbraw/zinc/16/94/90/346169490.db2.gz RYFOBINCTDZQIE-MRVPVSSYSA-N 1 1 155.241 1.306 10 30 ADEEMO N#C[C@@H]1CCC[C@H]1[NH2+]CC1(F)CC1 307659502 346169692 /nfs/dbraw/zinc/16/96/92/346169692.db2.gz AZOAEPOTRNVHGX-DTWKUNHWSA-N 1 1 182.242 1.770 10 30 ADEEMO N#C[C@H]1CCC[C@H]1[NH2+]CC1(F)CC1 307659518 346169758 /nfs/dbraw/zinc/16/97/58/346169758.db2.gz AZOAEPOTRNVHGX-RKDXNWHRSA-N 1 1 182.242 1.770 10 30 ADEEMO N#C[C@H]1CCC[C@@H]1[NH2+]CC1(F)CC1 307659494 346169843 /nfs/dbraw/zinc/16/98/43/346169843.db2.gz AZOAEPOTRNVHGX-BDAKNGLRSA-N 1 1 182.242 1.770 10 30 ADEEMO N#C[C@@H]1CCC[C@@H]1[NH2+]CC1(F)CC1 307659510 346169874 /nfs/dbraw/zinc/16/98/74/346169874.db2.gz AZOAEPOTRNVHGX-IUCAKERBSA-N 1 1 182.242 1.770 10 30 ADEEMO C=C(C)CN1CC[C@H]2C[NH2+]C[C@@H]2C1 307677774 346177690 /nfs/dbraw/zinc/17/76/90/346177690.db2.gz JIZXLACWCLPWMF-WDEREUQCSA-N 1 1 180.295 1.104 10 30 ADEEMO C=C(C)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 307677772 346177732 /nfs/dbraw/zinc/17/77/32/346177732.db2.gz JIZXLACWCLPWMF-QWRGUYRKSA-N 1 1 180.295 1.104 10 30 ADEEMO C=C(C)CN1CC[C@H]2C[NH2+]C[C@H]2C1 307677772 346177734 /nfs/dbraw/zinc/17/77/34/346177734.db2.gz JIZXLACWCLPWMF-QWRGUYRKSA-N 1 1 180.295 1.104 10 30 ADEEMO C=C(C)C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 307677770 346177884 /nfs/dbraw/zinc/17/78/84/346177884.db2.gz JIZXLACWCLPWMF-MNOVXSKESA-N 1 1 180.295 1.104 10 30 ADEEMO C=C(C)CN1CC[C@@H]2C[NH2+]C[C@H]2C1 307677770 346177886 /nfs/dbraw/zinc/17/78/86/346177886.db2.gz JIZXLACWCLPWMF-MNOVXSKESA-N 1 1 180.295 1.104 10 30 ADEEMO C=C(C)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 307677768 346177962 /nfs/dbraw/zinc/17/79/62/346177962.db2.gz JIZXLACWCLPWMF-GHMZBOCLSA-N 1 1 180.295 1.104 10 30 ADEEMO C=C(C)CN1CC[C@@H]2C[NH2+]C[C@@H]2C1 307677768 346177965 /nfs/dbraw/zinc/17/79/65/346177965.db2.gz JIZXLACWCLPWMF-GHMZBOCLSA-N 1 1 180.295 1.104 10 30 ADEEMO CC[C@@H]1CC[N@H+]1CCCC#N 307682323 346180478 /nfs/dbraw/zinc/18/04/78/346180478.db2.gz FCABJXZZTKQMDE-SECBINFHSA-N 1 1 152.241 1.774 10 30 ADEEMO CC[C@H]1CC[N@H+]1CCCC#N 307682324 346180572 /nfs/dbraw/zinc/18/05/72/346180572.db2.gz FCABJXZZTKQMDE-VIFPVBQESA-N 1 1 152.241 1.774 10 30 ADEEMO C=CC[N@H+](C)Cc1ccoc1 307686229 346182924 /nfs/dbraw/zinc/18/29/24/346182924.db2.gz JTARBJUAXPMZNC-UHFFFAOYSA-N 1 1 151.209 1.897 10 30 ADEEMO CC/C(=[NH+]/N)c1ccc(Cl)c(N)c1 307688830 346185161 /nfs/dbraw/zinc/18/51/61/346185161.db2.gz GARJUDXCTSEVNZ-LCYFTJDESA-N 1 1 197.669 1.995 10 30 ADEEMO CC(C)N[C@]1(C#N)CC[C@@H](C)[NH2+]C1 307694140 346188168 /nfs/dbraw/zinc/18/81/68/346188168.db2.gz ZPOSGJXOYHGLDH-ZJUUUORDSA-N 1 1 181.283 1.019 10 30 ADEEMO CC(C)N[C@@]1(C#N)CC[C@@H](C)[NH2+]C1 307694137 346188282 /nfs/dbraw/zinc/18/82/82/346188282.db2.gz ZPOSGJXOYHGLDH-NXEZZACHSA-N 1 1 181.283 1.019 10 30 ADEEMO CC(C)N[C@]1(C#N)CC[C@H](C)[NH2+]C1 307694138 346188501 /nfs/dbraw/zinc/18/85/01/346188501.db2.gz ZPOSGJXOYHGLDH-UWVGGRQHSA-N 1 1 181.283 1.019 10 30 ADEEMO CC(C)N[C@@]1(C#N)CC[C@H](C)[NH2+]C1 307694139 346188533 /nfs/dbraw/zinc/18/85/33/346188533.db2.gz ZPOSGJXOYHGLDH-VHSXEESVSA-N 1 1 181.283 1.019 10 30 ADEEMO CSCC[N@H+]1CCC[C@](C)(C#N)C1 307711848 346197647 /nfs/dbraw/zinc/19/76/47/346197647.db2.gz VJVZLENKJAVQFI-SNVBAGLBSA-N 1 1 198.335 1.975 10 30 ADEEMO CSCC[N@H+]1CCC[C@@](C)(C#N)C1 307711847 346197989 /nfs/dbraw/zinc/19/79/89/346197989.db2.gz VJVZLENKJAVQFI-JTQLQIEISA-N 1 1 198.335 1.975 10 30 ADEEMO O=CC[N@H+]1CCC2(CCC2)C1 307721155 346202431 /nfs/dbraw/zinc/20/24/31/346202431.db2.gz VRVGATQXZJSIRT-UHFFFAOYSA-N 1 1 153.225 1.061 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCc2c[nH]nc2C1 307723569 346203523 /nfs/dbraw/zinc/20/35/23/346203523.db2.gz VLTCROYZZIIKQK-QMMMGPOBSA-N 1 1 177.251 1.342 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCc2c[nH]nc2C1 307723568 346203572 /nfs/dbraw/zinc/20/35/72/346203572.db2.gz VLTCROYZZIIKQK-MRVPVSSYSA-N 1 1 177.251 1.342 10 30 ADEEMO CO/[NH+]=C/c1ccc(N)c(Cl)c1 307724072 346204072 /nfs/dbraw/zinc/20/40/72/346204072.db2.gz XDRXEKORDXXZCM-VZUCSPMQSA-N 1 1 184.626 1.903 10 30 ADEEMO O=CCC[N@H+]1CCC2(CC2)C1 307725571 346204573 /nfs/dbraw/zinc/20/45/73/346204573.db2.gz CBIZCMHXLJYEQY-UHFFFAOYSA-N 1 1 153.225 1.061 10 30 ADEEMO C=CC[N@@H+]1CC[C@@H](COC)C1 307726162 346204950 /nfs/dbraw/zinc/20/49/50/346204950.db2.gz CWDIUNUTHZSTDE-SECBINFHSA-N 1 1 155.241 1.141 10 30 ADEEMO C=CC[N@@H+]1CC[C@H](COC)C1 307726166 346205249 /nfs/dbraw/zinc/20/52/49/346205249.db2.gz CWDIUNUTHZSTDE-VIFPVBQESA-N 1 1 155.241 1.141 10 30 ADEEMO SC/C=C/C[N@@H+]1C[C@H]2C[C@H]2C1 307727259 346205909 /nfs/dbraw/zinc/20/59/09/346205909.db2.gz DYSHBBWMMPKAGY-YLSDFIPESA-N 1 1 169.293 1.424 10 30 ADEEMO O=CC[N@H+]1CCCC12CCCC2 307732627 346209265 /nfs/dbraw/zinc/20/92/65/346209265.db2.gz PZBRHJRDGQWKLT-UHFFFAOYSA-N 1 1 167.252 1.594 10 30 ADEEMO SCC[N@H+]1CC2CCC1CC2 307736503 346210920 /nfs/dbraw/zinc/21/09/20/346210920.db2.gz SBTGZHUSNXOYEB-UHFFFAOYSA-N 1 1 171.309 1.791 10 30 ADEEMO C/C(=[NH+]/N)c1ccc(N)cc1Cl 307750888 346220333 /nfs/dbraw/zinc/22/03/33/346220333.db2.gz LQLZIOZUDFAHQI-XGICHPGQSA-N 1 1 183.642 1.605 10 30 ADEEMO C[C@@H]1CSCC[N@H+]1CC[C@@H]1CO1 307753638 346222833 /nfs/dbraw/zinc/22/28/33/346222833.db2.gz WPAZRYZAPFZRGL-RKDXNWHRSA-N 1 1 187.308 1.213 10 30 ADEEMO C[C@H]1CSCC[N@H+]1CC[C@@H]1CO1 307753636 346222892 /nfs/dbraw/zinc/22/28/92/346222892.db2.gz WPAZRYZAPFZRGL-DTWKUNHWSA-N 1 1 187.308 1.213 10 30 ADEEMO C[C@@H]1CSCC[N@H+]1CC[C@H]1CO1 307753635 346223000 /nfs/dbraw/zinc/22/30/00/346223000.db2.gz WPAZRYZAPFZRGL-BDAKNGLRSA-N 1 1 187.308 1.213 10 30 ADEEMO C[C@H]1CSCC[N@H+]1CC[C@H]1CO1 307753637 346223200 /nfs/dbraw/zinc/22/32/00/346223200.db2.gz WPAZRYZAPFZRGL-IUCAKERBSA-N 1 1 187.308 1.213 10 30 ADEEMO COC[C@@H]1CCCC[N@H+]1CCCC#N 307762826 346228601 /nfs/dbraw/zinc/22/86/01/346228601.db2.gz GHTQMNCIRCABIR-NSHDSACASA-N 1 1 196.294 1.791 10 30 ADEEMO COC[C@H]1CCCC[N@H+]1CCCC#N 307762825 346228627 /nfs/dbraw/zinc/22/86/27/346228627.db2.gz GHTQMNCIRCABIR-LLVKDONJSA-N 1 1 196.294 1.791 10 30 ADEEMO C=CCC[N@@H+](CC)CCOC 307892887 346232572 /nfs/dbraw/zinc/23/25/72/346232572.db2.gz GISVIBRIXGPTDW-UHFFFAOYSA-N 1 1 157.257 1.531 10 30 ADEEMO C=C(C)C[N@@H+](CC)C[C@@H](C)O 307919655 346235573 /nfs/dbraw/zinc/23/55/73/346235573.db2.gz HIQQLEWMPPVVTD-SECBINFHSA-N 1 1 157.257 1.265 10 30 ADEEMO CC#CC[N@H+](CC)CCOCC 307929089 346236644 /nfs/dbraw/zinc/23/66/44/346236644.db2.gz DHJUVQBIXMILIV-UHFFFAOYSA-N 1 1 169.268 1.368 10 30 ADEEMO C=CCCC[N@H+](C)C[C@H](O)CC 307935414 346237353 /nfs/dbraw/zinc/23/73/53/346237353.db2.gz OCRJXPHDSXSBJJ-SNVBAGLBSA-N 1 1 171.284 1.655 10 30 ADEEMO C=CC[N@@H+](CCCC)CCOC 307945050 346239098 /nfs/dbraw/zinc/23/90/98/346239098.db2.gz HWOKIKKDYSZJFW-UHFFFAOYSA-N 1 1 171.284 1.921 10 30 ADEEMO C=CCC[N@@H+](C)[C@H](C)C(=O)OC 307948512 346240125 /nfs/dbraw/zinc/24/01/25/346240125.db2.gz APGZSTLNWJPNNV-MRVPVSSYSA-N 1 1 171.240 1.056 10 30 ADEEMO C=CCC[N@H+](C)[C@H](C)C(=O)OC 307948512 346240129 /nfs/dbraw/zinc/24/01/29/346240129.db2.gz APGZSTLNWJPNNV-MRVPVSSYSA-N 1 1 171.240 1.056 10 30 ADEEMO C=CCC[N@@H+](C)[C@@H](C)C(=O)OC 307948513 346240219 /nfs/dbraw/zinc/24/02/19/346240219.db2.gz APGZSTLNWJPNNV-QMMMGPOBSA-N 1 1 171.240 1.056 10 30 ADEEMO C=CCC[N@H+](C)[C@@H](C)C(=O)OC 307948513 346240222 /nfs/dbraw/zinc/24/02/22/346240222.db2.gz APGZSTLNWJPNNV-QMMMGPOBSA-N 1 1 171.240 1.056 10 30 ADEEMO C=CCCC[N@H+](C)C[C@@H](O)CC 307951109 346240234 /nfs/dbraw/zinc/24/02/34/346240234.db2.gz OCRJXPHDSXSBJJ-JTQLQIEISA-N 1 1 171.284 1.655 10 30 ADEEMO C=CC[NH2+]Cc1nc(C#N)cs1 307957126 346241653 /nfs/dbraw/zinc/24/16/53/346241653.db2.gz GVDQCZSOQHWVBT-UHFFFAOYSA-N 1 1 179.248 1.290 10 30 ADEEMO CC(C)(C#N)C[NH2+]CC1(F)CC1 307963637 346243091 /nfs/dbraw/zinc/24/30/91/346243091.db2.gz OVEJOSUJDFXLLW-UHFFFAOYSA-N 1 1 170.231 1.628 10 30 ADEEMO C=CCCN1CC[NH+](CC)CC1 307966914 346243891 /nfs/dbraw/zinc/24/38/91/346243891.db2.gz CRABNUHRQRJVND-UHFFFAOYSA-N 1 1 168.284 1.200 10 30 ADEEMO C=CCC[N@H+](C)Cc1cc[nH]n1 307971417 346244764 /nfs/dbraw/zinc/24/47/64/346244764.db2.gz HLVMTZUUTUVOGJ-UHFFFAOYSA-N 1 1 165.240 1.418 10 30 ADEEMO COCC[N@H+](C)CC(C)(C)C#N 307971112 346244832 /nfs/dbraw/zinc/24/48/32/346244832.db2.gz HBUYXEFXPNZKFS-UHFFFAOYSA-N 1 1 170.256 1.114 10 30 ADEEMO COCC[N@@H+](C)CC(C)(C)C#N 307971112 346244834 /nfs/dbraw/zinc/24/48/34/346244834.db2.gz HBUYXEFXPNZKFS-UHFFFAOYSA-N 1 1 170.256 1.114 10 30 ADEEMO CO[C@H]1C[C@@H]([N@H+](C)CCC#N)C1 307994769 346248450 /nfs/dbraw/zinc/24/84/50/346248450.db2.gz VQLLZCABYICQCZ-DTORHVGOSA-N 1 1 168.240 1.009 10 30 ADEEMO CO[C@H]1C[C@@H]([N@@H+](C)CCC#N)C1 307994769 346248452 /nfs/dbraw/zinc/24/84/52/346248452.db2.gz VQLLZCABYICQCZ-DTORHVGOSA-N 1 1 168.240 1.009 10 30 ADEEMO N#Cc1ccc(C[NH2+]CCF)o1 307998089 346249079 /nfs/dbraw/zinc/24/90/79/346249079.db2.gz DTPDBKCPHUSVQK-UHFFFAOYSA-N 1 1 168.171 1.210 10 30 ADEEMO CC[C@@H](CC#N)[NH2+]CC1(F)CC1 308001008 346249499 /nfs/dbraw/zinc/24/94/99/346249499.db2.gz ZNWDPCKFQWLREG-QMMMGPOBSA-N 1 1 170.231 1.770 10 30 ADEEMO CC[C@H](CC#N)[NH2+]CC1(F)CC1 308001007 346249644 /nfs/dbraw/zinc/24/96/44/346249644.db2.gz ZNWDPCKFQWLREG-MRVPVSSYSA-N 1 1 170.231 1.770 10 30 ADEEMO C=C(C)C[N@@H+](C)C[C@H]1CCCO1 308005449 346249935 /nfs/dbraw/zinc/24/99/35/346249935.db2.gz FVAKAEWSCZVLSG-SNVBAGLBSA-N 1 1 169.268 1.673 10 30 ADEEMO CC(=[NH2+])NN=Cc1ccccc1O 308049626 346252371 /nfs/dbraw/zinc/25/23/71/346252371.db2.gz FTKHKNYKOPXWRA-UHFFFAOYSA-N 1 1 177.207 1.103 10 30 ADEEMO COC(C)(C)C[N@@H+](C)CCCC#N 308053996 346252733 /nfs/dbraw/zinc/25/27/33/346252733.db2.gz AVTYSAPFCZRGOX-UHFFFAOYSA-N 1 1 184.283 1.647 10 30 ADEEMO C=CCC[N@H+](C[C@H](C)O)C(C)C 308065973 346253551 /nfs/dbraw/zinc/25/35/51/346253551.db2.gz YQZSBINOWVKLEB-JTQLQIEISA-N 1 1 171.284 1.654 10 30 ADEEMO C=CCC[N@H+](C[C@@H](C)O)C(C)C 308065974 346253565 /nfs/dbraw/zinc/25/35/65/346253565.db2.gz YQZSBINOWVKLEB-SNVBAGLBSA-N 1 1 171.284 1.654 10 30 ADEEMO C=CC[N@@H+]1CCC[C@H](COC)C1 308075801 346254162 /nfs/dbraw/zinc/25/41/62/346254162.db2.gz CUDCODDTDUJTDZ-JTQLQIEISA-N 1 1 169.268 1.531 10 30 ADEEMO N#CCCC[NH2+]Cc1cocn1 308078200 346254527 /nfs/dbraw/zinc/25/45/27/346254527.db2.gz HADSJPUQNHALAI-UHFFFAOYSA-N 1 1 165.196 1.068 10 30 ADEEMO C=CC[N@@H+]1CCC[C@@H](COC)C1 308075802 346254606 /nfs/dbraw/zinc/25/46/06/346254606.db2.gz CUDCODDTDUJTDZ-SNVBAGLBSA-N 1 1 169.268 1.531 10 30 ADEEMO C[N@@H+](CC1CC1)CC(C)(C)C#N 308077441 346254632 /nfs/dbraw/zinc/25/46/32/346254632.db2.gz GJQKLLJCOHBWGL-UHFFFAOYSA-N 1 1 166.268 1.878 10 30 ADEEMO N#CC1(C[NH2+]CC2(F)CC2)CC1 308094934 346255841 /nfs/dbraw/zinc/25/58/41/346255841.db2.gz XKWAEEOKANBWJD-UHFFFAOYSA-N 1 1 168.215 1.382 10 30 ADEEMO CC(C)[N@H+]1CCC(=NN(C)C)C1 308127170 346257625 /nfs/dbraw/zinc/25/76/25/346257625.db2.gz VUKLFEDMKZNLAR-UHFFFAOYSA-N 1 1 169.272 1.018 10 30 ADEEMO C=C(C)C[N@@H+](C)[C@H](C)C(=O)OC 308139996 346260019 /nfs/dbraw/zinc/26/00/19/346260019.db2.gz GRFHGQOQZZDGBP-MRVPVSSYSA-N 1 1 171.240 1.056 10 30 ADEEMO C=C(C)C[N@H+](C)[C@H](C)C(=O)OC 308139996 346260020 /nfs/dbraw/zinc/26/00/20/346260020.db2.gz GRFHGQOQZZDGBP-MRVPVSSYSA-N 1 1 171.240 1.056 10 30 ADEEMO C[N@H+](CCC#N)C[C@H](O)C(C)(C)C 308154727 346263029 /nfs/dbraw/zinc/26/30/29/346263029.db2.gz SNZASHQQMULYGH-VIFPVBQESA-N 1 1 184.283 1.239 10 30 ADEEMO C[N@@H+](CCC#N)C[C@H](O)C(C)(C)C 308154727 346263030 /nfs/dbraw/zinc/26/30/30/346263030.db2.gz SNZASHQQMULYGH-VIFPVBQESA-N 1 1 184.283 1.239 10 30 ADEEMO C[N@H+](CCC#N)C[C@@H](O)C(C)(C)C 308154726 346263039 /nfs/dbraw/zinc/26/30/39/346263039.db2.gz SNZASHQQMULYGH-SECBINFHSA-N 1 1 184.283 1.239 10 30 ADEEMO C[N@@H+](CCC#N)C[C@@H](O)C(C)(C)C 308154726 346263041 /nfs/dbraw/zinc/26/30/41/346263041.db2.gz SNZASHQQMULYGH-SECBINFHSA-N 1 1 184.283 1.239 10 30 ADEEMO CO[C@H](C)C[N@@H+](C)CCCCC#N 308180853 346267312 /nfs/dbraw/zinc/26/73/12/346267312.db2.gz CQEGLUVTYYDKHG-SNVBAGLBSA-N 1 1 184.283 1.647 10 30 ADEEMO CO[C@@H](C)C[N@@H+](C)CCCCC#N 308180852 346267374 /nfs/dbraw/zinc/26/73/74/346267374.db2.gz CQEGLUVTYYDKHG-JTQLQIEISA-N 1 1 184.283 1.647 10 30 ADEEMO CC[N@@H+](CCCC#N)[C@H]1CCOC1 308208636 346269830 /nfs/dbraw/zinc/26/98/30/346269830.db2.gz VHZKRASDXNSHKP-JTQLQIEISA-N 1 1 182.267 1.401 10 30 ADEEMO CC[N@@H+](CCCC#N)[C@@H]1CCOC1 308208638 346269869 /nfs/dbraw/zinc/26/98/69/346269869.db2.gz VHZKRASDXNSHKP-SNVBAGLBSA-N 1 1 182.267 1.401 10 30 ADEEMO C=C(CC)C[N@H+](C)[C@H](C)C(=O)OC 308251036 346276190 /nfs/dbraw/zinc/27/61/90/346276190.db2.gz BAOXEMXXAUHOGM-SECBINFHSA-N 1 1 185.267 1.446 10 30 ADEEMO C=C(CC)C[N@@H+](C)[C@H](C)C(=O)OC 308251036 346276194 /nfs/dbraw/zinc/27/61/94/346276194.db2.gz BAOXEMXXAUHOGM-SECBINFHSA-N 1 1 185.267 1.446 10 30 ADEEMO COC[C@H](C)C[N@@H+](C)C[C@H](C)C#N 308252194 346276491 /nfs/dbraw/zinc/27/64/91/346276491.db2.gz GHRLHICKNLRTJS-NXEZZACHSA-N 1 1 184.283 1.360 10 30 ADEEMO COC[C@@H](C)C[N@@H+](C)C[C@@H](C)C#N 308252195 346276507 /nfs/dbraw/zinc/27/65/07/346276507.db2.gz GHRLHICKNLRTJS-UWVGGRQHSA-N 1 1 184.283 1.360 10 30 ADEEMO COC[C@@H](C)C[N@@H+](C)C[C@H](C)C#N 308252197 346276587 /nfs/dbraw/zinc/27/65/87/346276587.db2.gz GHRLHICKNLRTJS-ZJUUUORDSA-N 1 1 184.283 1.360 10 30 ADEEMO COC[C@H](C)C[N@@H+](C)C[C@@H](C)C#N 308252196 346276767 /nfs/dbraw/zinc/27/67/67/346276767.db2.gz GHRLHICKNLRTJS-VHSXEESVSA-N 1 1 184.283 1.360 10 30 ADEEMO C=CC[N@@H+](C)Cc1ccc(C#N)o1 308281773 346280653 /nfs/dbraw/zinc/28/06/53/346280653.db2.gz YBLTVASIUMZZGC-UHFFFAOYSA-N 1 1 176.219 1.769 10 30 ADEEMO C=CC[N@H+](C)Cc1ccc(C#N)o1 308281773 346280655 /nfs/dbraw/zinc/28/06/55/346280655.db2.gz YBLTVASIUMZZGC-UHFFFAOYSA-N 1 1 176.219 1.769 10 30 ADEEMO CCCNN=C1CC[N@@H+](C)C[C@H]1C 308328680 346289761 /nfs/dbraw/zinc/28/97/61/346289761.db2.gz HLKPPPIPSPEEIY-SECBINFHSA-N 1 1 183.299 1.314 10 30 ADEEMO COCC(C)(C)[N@@H+](C)CCCC#N 308325749 346289990 /nfs/dbraw/zinc/28/99/90/346289990.db2.gz FRFHQWHZUBNDEC-UHFFFAOYSA-N 1 1 184.283 1.647 10 30 ADEEMO CCCNN=C1CC[N@@H+](C)C[C@@H]1C 308328682 346290018 /nfs/dbraw/zinc/29/00/18/346290018.db2.gz HLKPPPIPSPEEIY-VIFPVBQESA-N 1 1 183.299 1.314 10 30 ADEEMO CO[C@H]1C[C@@H]([N@@H+](C)CCCC#N)C1 308395074 346297159 /nfs/dbraw/zinc/29/71/59/346297159.db2.gz CTOPGDOCXQEDFC-AOOOYVTPSA-N 1 1 182.267 1.399 10 30 ADEEMO CC[N@@H+](CCC#N)C[C@@H](C)COC 308416480 346300312 /nfs/dbraw/zinc/30/03/12/346300312.db2.gz NJHYIAFXHAFKGW-SNVBAGLBSA-N 1 1 184.283 1.504 10 30 ADEEMO CC[N@@H+](CCC#N)C[C@H](C)COC 308416477 346300376 /nfs/dbraw/zinc/30/03/76/346300376.db2.gz NJHYIAFXHAFKGW-JTQLQIEISA-N 1 1 184.283 1.504 10 30 ADEEMO C=C(C)[C@@H](CO)[N@H+](CC)CCC#N 308427309 346301636 /nfs/dbraw/zinc/30/16/36/346301636.db2.gz RRUBEUVBIDBCQL-SNVBAGLBSA-N 1 1 182.267 1.159 10 30 ADEEMO C=C(C)[C@@H](CO)[N@@H+](CC)CCC#N 308427309 346301638 /nfs/dbraw/zinc/30/16/38/346301638.db2.gz RRUBEUVBIDBCQL-SNVBAGLBSA-N 1 1 182.267 1.159 10 30 ADEEMO C=CC[N@@H+](C)[C@@H](C(=O)OC)C1CC1 308427538 346301772 /nfs/dbraw/zinc/30/17/72/346301772.db2.gz RVLFFRHPWBRMMY-SECBINFHSA-N 1 1 183.251 1.056 10 30 ADEEMO C=CC[N@H+](C)[C@@H](C(=O)OC)C1CC1 308427538 346301774 /nfs/dbraw/zinc/30/17/74/346301774.db2.gz RVLFFRHPWBRMMY-SECBINFHSA-N 1 1 183.251 1.056 10 30 ADEEMO C=CC[N@@H+](C)[C@H](C(=O)OC)C1CC1 308427539 346301861 /nfs/dbraw/zinc/30/18/61/346301861.db2.gz RVLFFRHPWBRMMY-VIFPVBQESA-N 1 1 183.251 1.056 10 30 ADEEMO C=CC[N@H+](C)[C@H](C(=O)OC)C1CC1 308427539 346301862 /nfs/dbraw/zinc/30/18/62/346301862.db2.gz RVLFFRHPWBRMMY-VIFPVBQESA-N 1 1 183.251 1.056 10 30 ADEEMO C[N@@H+](CC(C)(C)O)CC(C)(C)C#N 308426754 346301896 /nfs/dbraw/zinc/30/18/96/346301896.db2.gz RQJHJCUWTNRVMR-UHFFFAOYSA-N 1 1 184.283 1.239 10 30 ADEEMO C=C(C)[C@H](CO)[N@H+](CC)CCC#N 308427304 346301972 /nfs/dbraw/zinc/30/19/72/346301972.db2.gz RRUBEUVBIDBCQL-JTQLQIEISA-N 1 1 182.267 1.159 10 30 ADEEMO C=C(C)[C@H](CO)[N@@H+](CC)CCC#N 308427304 346301974 /nfs/dbraw/zinc/30/19/74/346301974.db2.gz RRUBEUVBIDBCQL-JTQLQIEISA-N 1 1 182.267 1.159 10 30 ADEEMO C=CCC[NH2+]C(C)(C)C(=O)OCC 308440870 346304131 /nfs/dbraw/zinc/30/41/31/346304131.db2.gz YXWKMNWOUATGNZ-UHFFFAOYSA-N 1 1 185.267 1.494 10 30 ADEEMO C[N@@H+](CCCCO)CCCCC#N 308504374 346308713 /nfs/dbraw/zinc/30/87/13/346308713.db2.gz YKOPQOOSUKIDHZ-UHFFFAOYSA-N 1 1 184.283 1.385 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@H+](C)CCC1CC1 308500206 346308781 /nfs/dbraw/zinc/30/87/81/346308781.db2.gz GBMIQGQWJJZOEB-SNVBAGLBSA-N 1 1 197.278 1.446 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@@H+](C)CCC1CC1 308500206 346308785 /nfs/dbraw/zinc/30/87/85/346308785.db2.gz GBMIQGQWJJZOEB-SNVBAGLBSA-N 1 1 197.278 1.446 10 30 ADEEMO C=CCCN1CCC([NH+](C)C)CC1 308501778 346308812 /nfs/dbraw/zinc/30/88/12/346308812.db2.gz XHOCEYYHJWNDTE-UHFFFAOYSA-N 1 1 182.311 1.589 10 30 ADEEMO C=CCC[NH+]1CCC(N(C)C)CC1 308501778 346308817 /nfs/dbraw/zinc/30/88/17/346308817.db2.gz XHOCEYYHJWNDTE-UHFFFAOYSA-N 1 1 182.311 1.589 10 30 ADEEMO C=C[C@@H](C(=O)OC)[N@H+](C)CCC1CC1 308500205 346309030 /nfs/dbraw/zinc/30/90/30/346309030.db2.gz GBMIQGQWJJZOEB-JTQLQIEISA-N 1 1 197.278 1.446 10 30 ADEEMO C=C[C@@H](C(=O)OC)[N@@H+](C)CCC1CC1 308500205 346309035 /nfs/dbraw/zinc/30/90/35/346309035.db2.gz GBMIQGQWJJZOEB-JTQLQIEISA-N 1 1 197.278 1.446 10 30 ADEEMO N#CCC1(C[NH2+]Cc2cocn2)CC1 308503232 346309131 /nfs/dbraw/zinc/30/91/31/346309131.db2.gz BQDZASOCMOQMEX-UHFFFAOYSA-N 1 1 191.234 1.458 10 30 ADEEMO CC(C)(C)OCC[NH2+]CCC#N 308514139 346309832 /nfs/dbraw/zinc/30/98/32/346309832.db2.gz REAIGIBNWZEQOX-UHFFFAOYSA-N 1 1 170.256 1.305 10 30 ADEEMO CO[C@H](C)C[N@@H+](C)[C@@H]1CCC[C@H]1C#N 308553021 346312090 /nfs/dbraw/zinc/31/20/90/346312090.db2.gz SVJOKNYXGCPSOM-OUAUKWLOSA-N 1 1 196.294 1.645 10 30 ADEEMO CO[C@H](C)C[N@@H+](C)[C@H]1CCC[C@H]1C#N 308553022 346312312 /nfs/dbraw/zinc/31/23/12/346312312.db2.gz SVJOKNYXGCPSOM-VWYCJHECSA-N 1 1 196.294 1.645 10 30 ADEEMO CO[C@H](C)C[N@@H+](C)[C@H]1CCC[C@@H]1C#N 308553020 346312349 /nfs/dbraw/zinc/31/23/49/346312349.db2.gz SVJOKNYXGCPSOM-MXWKQRLJSA-N 1 1 196.294 1.645 10 30 ADEEMO CO[C@H](C)C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N 308553019 346312358 /nfs/dbraw/zinc/31/23/58/346312358.db2.gz SVJOKNYXGCPSOM-GMTAPVOTSA-N 1 1 196.294 1.645 10 30 ADEEMO C=C(C)CC[NH2+]C(C)(C)C(=O)OCC 308585597 346313855 /nfs/dbraw/zinc/31/38/55/346313855.db2.gz IERLUQOLLAZZPR-UHFFFAOYSA-N 1 1 199.294 1.884 10 30 ADEEMO C=CCCC[NH2+]C(C)(C)C(=O)OCC 308604059 346315375 /nfs/dbraw/zinc/31/53/75/346315375.db2.gz PDJKDOJUTYAERF-UHFFFAOYSA-N 1 1 199.294 1.884 10 30 ADEEMO C=C(C)CC[NH2+][C@H](C(=O)OC)C1CC1 308630690 346315900 /nfs/dbraw/zinc/31/59/00/346315900.db2.gz YSZQGERTJGHBLD-JTQLQIEISA-N 1 1 197.278 1.494 10 30 ADEEMO C=C(C)CC[NH2+][C@@H](C(=O)OC)C1CC1 308630691 346315968 /nfs/dbraw/zinc/31/59/68/346315968.db2.gz YSZQGERTJGHBLD-SNVBAGLBSA-N 1 1 197.278 1.494 10 30 ADEEMO CC[N@@H+](CCCCC#N)[C@H]1CCOC1 308643500 346316843 /nfs/dbraw/zinc/31/68/43/346316843.db2.gz FNKFKJLJFHQWOA-NSHDSACASA-N 1 1 196.294 1.791 10 30 ADEEMO CC[N@@H+](CCCCC#N)[C@@H]1CCOC1 308643499 346317006 /nfs/dbraw/zinc/31/70/06/346317006.db2.gz FNKFKJLJFHQWOA-LLVKDONJSA-N 1 1 196.294 1.791 10 30 ADEEMO C[C@H]1CC[N@@H+](Cc2ccc(C#N)o2)C1 334337830 346341601 /nfs/dbraw/zinc/34/16/01/346341601.db2.gz WWJZYGWABLYCMH-VIFPVBQESA-N 1 1 190.246 1.993 10 30 ADEEMO CC#CC[N@H+](C)[C@@H]1CCN(C)[C@H](C)C1 334460673 346348736 /nfs/dbraw/zinc/34/87/36/346348736.db2.gz UXEKJTQGKFADEM-VXGBXAGGSA-N 1 1 194.322 1.424 10 30 ADEEMO CC#CC[N@H+](C)[C@H]1CCN(C)[C@H](C)C1 334460670 346348913 /nfs/dbraw/zinc/34/89/13/346348913.db2.gz UXEKJTQGKFADEM-NEPJUHHUSA-N 1 1 194.322 1.424 10 30 ADEEMO CC#CCN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 334460673 346348732 /nfs/dbraw/zinc/34/87/32/346348732.db2.gz UXEKJTQGKFADEM-VXGBXAGGSA-N 1 1 194.322 1.424 10 30 ADEEMO CC#CC[N@@H+](C)[C@@H]1CCN(C)[C@H](C)C1 334460673 346348739 /nfs/dbraw/zinc/34/87/39/346348739.db2.gz UXEKJTQGKFADEM-VXGBXAGGSA-N 1 1 194.322 1.424 10 30 ADEEMO CC#CCN(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 334460670 346348911 /nfs/dbraw/zinc/34/89/11/346348911.db2.gz UXEKJTQGKFADEM-NEPJUHHUSA-N 1 1 194.322 1.424 10 30 ADEEMO CC#CC[N@@H+](C)[C@H]1CCN(C)[C@H](C)C1 334460670 346348917 /nfs/dbraw/zinc/34/89/17/346348917.db2.gz UXEKJTQGKFADEM-NEPJUHHUSA-N 1 1 194.322 1.424 10 30 ADEEMO CC#CCN(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 334460672 346349029 /nfs/dbraw/zinc/34/90/29/346349029.db2.gz UXEKJTQGKFADEM-RYUDHWBXSA-N 1 1 194.322 1.424 10 30 ADEEMO CC#CC[N@H+](C)[C@H]1CCN(C)[C@@H](C)C1 334460672 346349032 /nfs/dbraw/zinc/34/90/32/346349032.db2.gz UXEKJTQGKFADEM-RYUDHWBXSA-N 1 1 194.322 1.424 10 30 ADEEMO CC#CC[N@@H+](C)[C@H]1CCN(C)[C@@H](C)C1 334460672 346349034 /nfs/dbraw/zinc/34/90/34/346349034.db2.gz UXEKJTQGKFADEM-RYUDHWBXSA-N 1 1 194.322 1.424 10 30 ADEEMO CC#CC[N@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 334460671 346349068 /nfs/dbraw/zinc/34/90/68/346349068.db2.gz UXEKJTQGKFADEM-NWDGAFQWSA-N 1 1 194.322 1.424 10 30 ADEEMO CC#CC[N@@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 334460671 346349069 /nfs/dbraw/zinc/34/90/69/346349069.db2.gz UXEKJTQGKFADEM-NWDGAFQWSA-N 1 1 194.322 1.424 10 30 ADEEMO CC#CC[NH+]1C[C@@H](C)O[C@H](C)C1 335890335 346426253 /nfs/dbraw/zinc/42/62/53/346426253.db2.gz ATTZJJRBMVWRSO-NXEZZACHSA-N 1 1 167.252 1.119 10 30 ADEEMO CC#CC[N@H+]1CCS[C@H](CC)C1 335890341 346426291 /nfs/dbraw/zinc/42/62/91/346426291.db2.gz CIHMAEFPAAYPMM-SNVBAGLBSA-N 1 1 183.320 1.837 10 30 ADEEMO CC#CC[NH+]1C[C@H](C)O[C@@H](C)C1 335890336 346426315 /nfs/dbraw/zinc/42/63/15/346426315.db2.gz ATTZJJRBMVWRSO-UWVGGRQHSA-N 1 1 167.252 1.119 10 30 ADEEMO CC#CC[N@H+]1CCS[C@@H](CC)C1 335890340 346426326 /nfs/dbraw/zinc/42/63/26/346426326.db2.gz CIHMAEFPAAYPMM-JTQLQIEISA-N 1 1 183.320 1.837 10 30 ADEEMO CC#CCC[N@H+]1CCO[C@@H](C)[C@H]1C 336171864 346442119 /nfs/dbraw/zinc/44/21/19/346442119.db2.gz BULWWSCDIWEHNW-MNOVXSKESA-N 1 1 181.279 1.509 10 30 ADEEMO CC#CCC[N@H+]1CCO[C@@H](C)[C@@H]1C 336171865 346442294 /nfs/dbraw/zinc/44/22/94/346442294.db2.gz BULWWSCDIWEHNW-QWRGUYRKSA-N 1 1 181.279 1.509 10 30 ADEEMO CC#CCC[N@H+]1CCO[C@H](C)[C@H]1C 336171863 346442309 /nfs/dbraw/zinc/44/23/09/346442309.db2.gz BULWWSCDIWEHNW-GHMZBOCLSA-N 1 1 181.279 1.509 10 30 ADEEMO CC#CCC[N@H+]1CCO[C@H](C)[C@@H]1C 336171866 346442496 /nfs/dbraw/zinc/44/24/96/346442496.db2.gz BULWWSCDIWEHNW-WDEREUQCSA-N 1 1 181.279 1.509 10 30 ADEEMO CC1(C)[C@@H](O)CC[N@H+]1CC1(C#N)CC1 336491802 346467261 /nfs/dbraw/zinc/46/72/61/346467261.db2.gz SVATUMZFHATABQ-VIFPVBQESA-N 1 1 194.278 1.135 10 30 ADEEMO CC#CC[N@@H+](C)CCCSCC#N 378781719 346484717 /nfs/dbraw/zinc/48/47/17/346484717.db2.gz HUPMURUFYGYXSZ-UHFFFAOYSA-N 1 1 196.319 1.588 10 30 ADEEMO COC[C@@H]1CC[N@H+]1CCCCC#N 378862347 346485150 /nfs/dbraw/zinc/48/51/50/346485150.db2.gz SSCRQSSNDRJDKW-JTQLQIEISA-N 1 1 182.267 1.401 10 30 ADEEMO COC[C@H]1CC[N@H+]1CCCCC#N 378862348 346485302 /nfs/dbraw/zinc/48/53/02/346485302.db2.gz SSCRQSSNDRJDKW-SNVBAGLBSA-N 1 1 182.267 1.401 10 30 ADEEMO C[C@H]1[C@H](C)C[N@H+]1CCCSCC#N 378874957 346485989 /nfs/dbraw/zinc/48/59/89/346485989.db2.gz XWMKUSGAPAUISF-ZJUUUORDSA-N 1 1 198.335 1.973 10 30 ADEEMO C[C@@H]1C[N@@H+](CCCSCC#N)[C@@H]1C 378874954 346486017 /nfs/dbraw/zinc/48/60/17/346486017.db2.gz XWMKUSGAPAUISF-NXEZZACHSA-N 1 1 198.335 1.973 10 30 ADEEMO C[C@H]1C[N@@H+](CCCSCC#N)[C@@H]1C 378874956 346486046 /nfs/dbraw/zinc/48/60/46/346486046.db2.gz XWMKUSGAPAUISF-VHSXEESVSA-N 1 1 198.335 1.973 10 30 ADEEMO C[C@H]1C[N@@H+](CCCSCC#N)[C@H]1C 378874955 346486200 /nfs/dbraw/zinc/48/62/00/346486200.db2.gz XWMKUSGAPAUISF-UWVGGRQHSA-N 1 1 198.335 1.973 10 30 ADEEMO C=C(C)C[N@@H+](C)CCCC#N 378966818 346487638 /nfs/dbraw/zinc/48/76/38/346487638.db2.gz BXJKLTGTXMITNM-UHFFFAOYSA-N 1 1 152.241 1.798 10 30 ADEEMO C=C(C)C[N@@H+](CC)C[C@H](C)O 379253610 346490454 /nfs/dbraw/zinc/49/04/54/346490454.db2.gz HIQQLEWMPPVVTD-VIFPVBQESA-N 1 1 157.257 1.265 10 30 ADEEMO C=CC[N@H+](CCSC)C1CC1 379257633 346490532 /nfs/dbraw/zinc/49/05/32/346490532.db2.gz KHNCXONOTDPUCB-UHFFFAOYSA-N 1 1 171.309 2.000 10 30 ADEEMO C=CCCC[N@@H+](C)CCCCO 379315682 346493777 /nfs/dbraw/zinc/49/37/77/346493777.db2.gz UATAAHGSRXBNHU-UHFFFAOYSA-N 1 1 171.284 1.657 10 30 ADEEMO C[N@@H+](CC1CC1)CC1(C#N)CC1 379325141 346497010 /nfs/dbraw/zinc/49/70/10/346497010.db2.gz BADCNYWTHUVETL-UHFFFAOYSA-N 1 1 164.252 1.632 10 30 ADEEMO C=CCC[N@@H+]1CCC[C@H](OC)C1 379325035 346497020 /nfs/dbraw/zinc/49/70/20/346497020.db2.gz AOCMNGQXRRIOSL-JTQLQIEISA-N 1 1 169.268 1.673 10 30 ADEEMO C=CC[N@H+](CCCCO)C1CC1 379325331 346497023 /nfs/dbraw/zinc/49/70/23/346497023.db2.gz BUIYVAOBEQIZDD-UHFFFAOYSA-N 1 1 169.268 1.409 10 30 ADEEMO C=C(C)C[N@@H+](C)[C@@H](C)C(=O)OC 379326188 346497332 /nfs/dbraw/zinc/49/73/32/346497332.db2.gz GRFHGQOQZZDGBP-QMMMGPOBSA-N 1 1 171.240 1.056 10 30 ADEEMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)OC 379326188 346497335 /nfs/dbraw/zinc/49/73/35/346497335.db2.gz GRFHGQOQZZDGBP-QMMMGPOBSA-N 1 1 171.240 1.056 10 30 ADEEMO C=CCC[N@@H+]1CC[C@@H](COC)C1 379326698 346498120 /nfs/dbraw/zinc/49/81/20/346498120.db2.gz ANRVRKRDKHLNRZ-SNVBAGLBSA-N 1 1 169.268 1.531 10 30 ADEEMO C=CCC[N@@H+]1CC[C@H](COC)C1 379326697 346498187 /nfs/dbraw/zinc/49/81/87/346498187.db2.gz ANRVRKRDKHLNRZ-JTQLQIEISA-N 1 1 169.268 1.531 10 30 ADEEMO C=CCC[N@@H+](CC=C)CCC#N 379338084 346502861 /nfs/dbraw/zinc/50/28/61/346502861.db2.gz CMQRCBCCRXUKJM-UHFFFAOYSA-N 1 1 164.252 1.964 10 30 ADEEMO C=CCC[N@H+](CC=C)CCC#N 379338084 346502862 /nfs/dbraw/zinc/50/28/62/346502862.db2.gz CMQRCBCCRXUKJM-UHFFFAOYSA-N 1 1 164.252 1.964 10 30 ADEEMO C=C(C)C[NH2+]Cc1nc(C#N)cs1 379386059 346512311 /nfs/dbraw/zinc/51/23/11/346512311.db2.gz WHBFMIHPPVYFRV-UHFFFAOYSA-N 1 1 193.275 1.680 10 30 ADEEMO C=CC[N@H+](CC1(C#N)CC1)C1CC1 379387113 346512622 /nfs/dbraw/zinc/51/26/22/346512622.db2.gz GRFAJYAOEKJXAW-UHFFFAOYSA-N 1 1 176.263 1.941 10 30 ADEEMO C=CC[N@@H+](CC1(C#N)CC1)C1CC1 379387113 346512625 /nfs/dbraw/zinc/51/26/25/346512625.db2.gz GRFAJYAOEKJXAW-UHFFFAOYSA-N 1 1 176.263 1.941 10 30 ADEEMO C=CCN(C)[C@@H]1CC[N@H+](C2CC2)C1 379394997 346515104 /nfs/dbraw/zinc/51/51/04/346515104.db2.gz YMSGOEOUDBEXCP-LLVKDONJSA-N 1 1 180.295 1.341 10 30 ADEEMO C=CC[N@@H+](C)[C@@H]1CCN(C2CC2)C1 379394997 346515107 /nfs/dbraw/zinc/51/51/07/346515107.db2.gz YMSGOEOUDBEXCP-LLVKDONJSA-N 1 1 180.295 1.341 10 30 ADEEMO C=CC[N@H+](C)[C@@H]1CCN(C2CC2)C1 379394997 346515111 /nfs/dbraw/zinc/51/51/11/346515111.db2.gz YMSGOEOUDBEXCP-LLVKDONJSA-N 1 1 180.295 1.341 10 30 ADEEMO C=CCN(C)[C@H]1CC[N@H+](C2CC2)C1 379394998 346515141 /nfs/dbraw/zinc/51/51/41/346515141.db2.gz YMSGOEOUDBEXCP-NSHDSACASA-N 1 1 180.295 1.341 10 30 ADEEMO C=CC[N@@H+](C)[C@H]1CCN(C2CC2)C1 379394998 346515146 /nfs/dbraw/zinc/51/51/46/346515146.db2.gz YMSGOEOUDBEXCP-NSHDSACASA-N 1 1 180.295 1.341 10 30 ADEEMO C=CC[N@H+](C)[C@H]1CCN(C2CC2)C1 379394998 346515149 /nfs/dbraw/zinc/51/51/49/346515149.db2.gz YMSGOEOUDBEXCP-NSHDSACASA-N 1 1 180.295 1.341 10 30 ADEEMO C=CC[N@@H+](CCC#N)CC(C)(C)O 379397423 346515714 /nfs/dbraw/zinc/51/57/14/346515714.db2.gz JBZHWYFNMNTJKQ-UHFFFAOYSA-N 1 1 182.267 1.159 10 30 ADEEMO C=CC[N@H+](CCC#N)CC(C)(C)O 379397423 346515717 /nfs/dbraw/zinc/51/57/17/346515717.db2.gz JBZHWYFNMNTJKQ-UHFFFAOYSA-N 1 1 182.267 1.159 10 30 ADEEMO CC[N@H+](CCOC)CC1(C#N)CC1 379396339 346515989 /nfs/dbraw/zinc/51/59/89/346515989.db2.gz FPKAPMNEBIQVRE-UHFFFAOYSA-N 1 1 182.267 1.258 10 30 ADEEMO CC[N@@H+](CCOC)CC1(C#N)CC1 379396339 346515990 /nfs/dbraw/zinc/51/59/90/346515990.db2.gz FPKAPMNEBIQVRE-UHFFFAOYSA-N 1 1 182.267 1.258 10 30 ADEEMO C=CC1CC[NH+](CC(=O)OC)CC1 379399353 346516435 /nfs/dbraw/zinc/51/64/35/346516435.db2.gz GXFQAXZTGQKJHT-UHFFFAOYSA-N 1 1 183.251 1.057 10 30 ADEEMO C=CCCC[N@H+](C)Cc1cc[nH]n1 379403831 346518261 /nfs/dbraw/zinc/51/82/61/346518261.db2.gz QFAHGMSMZJABGO-UHFFFAOYSA-N 1 1 179.267 1.808 10 30 ADEEMO COC[C@H](C)C[N@@H+](C)[C@H](C)CC#N 379405055 346518850 /nfs/dbraw/zinc/51/88/50/346518850.db2.gz SKNUOXFHBJORPW-NXEZZACHSA-N 1 1 184.283 1.503 10 30 ADEEMO COC[C@H](C)C[N@@H+](C)[C@@H](C)CC#N 379405058 346518892 /nfs/dbraw/zinc/51/88/92/346518892.db2.gz SKNUOXFHBJORPW-ZJUUUORDSA-N 1 1 184.283 1.503 10 30 ADEEMO COC[C@@H](C)C[N@@H+](C)[C@@H](C)CC#N 379405056 346519241 /nfs/dbraw/zinc/51/92/41/346519241.db2.gz SKNUOXFHBJORPW-UWVGGRQHSA-N 1 1 184.283 1.503 10 30 ADEEMO COC[C@@H](C)C[N@@H+](C)[C@H](C)CC#N 379405057 346519275 /nfs/dbraw/zinc/51/92/75/346519275.db2.gz SKNUOXFHBJORPW-VHSXEESVSA-N 1 1 184.283 1.503 10 30 ADEEMO CC#CC[N@H+](CCOC)CC(C)C 379408872 346520105 /nfs/dbraw/zinc/52/01/05/346520105.db2.gz BVONMAKGCNLLBC-UHFFFAOYSA-N 1 1 183.295 1.614 10 30 ADEEMO C=CC[N@H+](C)Cc1cnn(CC)c1 379411411 346520389 /nfs/dbraw/zinc/52/03/89/346520389.db2.gz ICIOJRMCKCIKSB-UHFFFAOYSA-N 1 1 179.267 1.521 10 30 ADEEMO CCC[C@H]1C[N@@H+](C)CCC1=NOC 379410893 346520697 /nfs/dbraw/zinc/52/06/97/346520697.db2.gz HCCRTCNHLCULHQ-VIFPVBQESA-N 1 1 184.283 1.741 10 30 ADEEMO CCC[C@@H]1C[N@@H+](C)CCC1=NOC 379410892 346520723 /nfs/dbraw/zinc/52/07/23/346520723.db2.gz HCCRTCNHLCULHQ-SECBINFHSA-N 1 1 184.283 1.741 10 30 ADEEMO C=CCC[NH2+][C@@H](C(=O)OC)C(C)(C)C 379614653 346527189 /nfs/dbraw/zinc/52/71/89/346527189.db2.gz XVGSLOYMEOEWOE-VIFPVBQESA-N 1 1 199.294 1.740 10 30 ADEEMO C[C@@H]([NH2+]CC1(C#N)CC1)c1cn[nH]c1 379624263 346528098 /nfs/dbraw/zinc/52/80/98/346528098.db2.gz IUYRJWJKCPINBL-MRVPVSSYSA-N 1 1 190.250 1.364 10 30 ADEEMO C[C@H]([NH2+]CC1(C#N)CC1)c1cn[nH]c1 379624264 346528150 /nfs/dbraw/zinc/52/81/50/346528150.db2.gz IUYRJWJKCPINBL-QMMMGPOBSA-N 1 1 190.250 1.364 10 30 ADEEMO CCC[N@@H+](C)C[C@@H](C#N)CCC#N 381836720 346529790 /nfs/dbraw/zinc/52/97/90/346529790.db2.gz HNGAGELRACGCOQ-SNVBAGLBSA-N 1 1 179.267 1.772 10 30 ADEEMO CCC[N@@H+](C)C[C@H](C#N)CCC#N 381836719 346530134 /nfs/dbraw/zinc/53/01/34/346530134.db2.gz HNGAGELRACGCOQ-JTQLQIEISA-N 1 1 179.267 1.772 10 30 ADEEMO C=CC[N@H+]1CCC[C@]1(C)C(=O)OC 381927413 346531890 /nfs/dbraw/zinc/53/18/90/346531890.db2.gz OLIUAEQSANNEDQ-SNVBAGLBSA-N 1 1 183.251 1.200 10 30 ADEEMO C[N@H+](CCC#N)C[C@@H]1CCCC[C@@H]1O 382030250 346531569 /nfs/dbraw/zinc/53/15/69/346531569.db2.gz UASPFAYQMLBEQO-QWRGUYRKSA-N 1 1 196.294 1.383 10 30 ADEEMO C[N@@H+](CCC#N)C[C@@H]1CCCC[C@@H]1O 382030250 346531574 /nfs/dbraw/zinc/53/15/74/346531574.db2.gz UASPFAYQMLBEQO-QWRGUYRKSA-N 1 1 196.294 1.383 10 30 ADEEMO C[N@H+](CCC#N)C[C@H]1CCCC[C@@H]1O 382030244 346531591 /nfs/dbraw/zinc/53/15/91/346531591.db2.gz UASPFAYQMLBEQO-MNOVXSKESA-N 1 1 196.294 1.383 10 30 ADEEMO C[N@@H+](CCC#N)C[C@H]1CCCC[C@@H]1O 382030244 346531595 /nfs/dbraw/zinc/53/15/95/346531595.db2.gz UASPFAYQMLBEQO-MNOVXSKESA-N 1 1 196.294 1.383 10 30 ADEEMO C[N@H+](CCC#N)C[C@H]1CCCC[C@H]1O 382030229 346531724 /nfs/dbraw/zinc/53/17/24/346531724.db2.gz UASPFAYQMLBEQO-GHMZBOCLSA-N 1 1 196.294 1.383 10 30 ADEEMO C[N@@H+](CCC#N)C[C@H]1CCCC[C@H]1O 382030229 346531726 /nfs/dbraw/zinc/53/17/26/346531726.db2.gz UASPFAYQMLBEQO-GHMZBOCLSA-N 1 1 196.294 1.383 10 30 ADEEMO C[N@H+](CCC#N)C[C@@H]1CCCC[C@H]1O 382030256 346531898 /nfs/dbraw/zinc/53/18/98/346531898.db2.gz UASPFAYQMLBEQO-WDEREUQCSA-N 1 1 196.294 1.383 10 30 ADEEMO C[N@@H+](CCC#N)C[C@@H]1CCCC[C@H]1O 382030256 346531900 /nfs/dbraw/zinc/53/19/00/346531900.db2.gz UASPFAYQMLBEQO-WDEREUQCSA-N 1 1 196.294 1.383 10 30 ADEEMO COC[C@H]1CC[N@@H+]1CC1(C#N)CC1 382295216 346533909 /nfs/dbraw/zinc/53/39/09/346533909.db2.gz LZIACYJAVZSHCR-SECBINFHSA-N 1 1 180.251 1.011 10 30 ADEEMO COC[C@H]1CC[N@H+]1CC1(C#N)CC1 382295216 346533910 /nfs/dbraw/zinc/53/39/10/346533910.db2.gz LZIACYJAVZSHCR-SECBINFHSA-N 1 1 180.251 1.011 10 30 ADEEMO COC[C@@H]1CC[N@@H+]1CC1(C#N)CC1 382295225 346534038 /nfs/dbraw/zinc/53/40/38/346534038.db2.gz LZIACYJAVZSHCR-VIFPVBQESA-N 1 1 180.251 1.011 10 30 ADEEMO COC[C@@H]1CC[N@H+]1CC1(C#N)CC1 382295225 346534041 /nfs/dbraw/zinc/53/40/41/346534041.db2.gz LZIACYJAVZSHCR-VIFPVBQESA-N 1 1 180.251 1.011 10 30 ADEEMO C=CC[N@H+](CCC(=O)OCC)C1CC1 382469476 346534789 /nfs/dbraw/zinc/53/47/89/346534789.db2.gz ACTQXIBLFSLFIA-UHFFFAOYSA-N 1 1 197.278 1.590 10 30 ADEEMO C=CCCC[N@@H+](C)[C@H](C=C)C(=O)OC 382471534 346534799 /nfs/dbraw/zinc/53/47/99/346534799.db2.gz BXAQIRMRQOVYLO-SNVBAGLBSA-N 1 1 197.278 1.612 10 30 ADEEMO C=CCCC[N@H+](C)[C@H](C=C)C(=O)OC 382471534 346534800 /nfs/dbraw/zinc/53/48/00/346534800.db2.gz BXAQIRMRQOVYLO-SNVBAGLBSA-N 1 1 197.278 1.612 10 30 ADEEMO C=CCCC[N@@H+](C)[C@@H](C=C)C(=O)OC 382471533 346534882 /nfs/dbraw/zinc/53/48/82/346534882.db2.gz BXAQIRMRQOVYLO-JTQLQIEISA-N 1 1 197.278 1.612 10 30 ADEEMO C=CCCC[N@H+](C)[C@@H](C=C)C(=O)OC 382471533 346534883 /nfs/dbraw/zinc/53/48/83/346534883.db2.gz BXAQIRMRQOVYLO-JTQLQIEISA-N 1 1 197.278 1.612 10 30 ADEEMO C=CC[N@H+](CCCC(=O)OC)C1CC1 382473332 346534940 /nfs/dbraw/zinc/53/49/40/346534940.db2.gz FENUEJJXRVKIIN-UHFFFAOYSA-N 1 1 197.278 1.590 10 30 ADEEMO C=C(C)C[N@@H+](CC)[C@@H](C)C(=O)OCC 382522389 346535616 /nfs/dbraw/zinc/53/56/16/346535616.db2.gz BLLQHGOQYRTJKK-JTQLQIEISA-N 1 1 199.294 1.836 10 30 ADEEMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)OCC 382522389 346535617 /nfs/dbraw/zinc/53/56/17/346535617.db2.gz BLLQHGOQYRTJKK-JTQLQIEISA-N 1 1 199.294 1.836 10 30 ADEEMO C=C(C)C[N@@H+](C)[C@H](C(=O)OC)C1CC1 382521041 346535666 /nfs/dbraw/zinc/53/56/66/346535666.db2.gz AKVAGVBIJAPNRR-JTQLQIEISA-N 1 1 197.278 1.446 10 30 ADEEMO C=C(C)C[N@H+](C)[C@H](C(=O)OC)C1CC1 382521041 346535667 /nfs/dbraw/zinc/53/56/67/346535667.db2.gz AKVAGVBIJAPNRR-JTQLQIEISA-N 1 1 197.278 1.446 10 30 ADEEMO C=CCC[N@H+](C)[C@@H](C(=O)OC)C1CC1 382540959 346535687 /nfs/dbraw/zinc/53/56/87/346535687.db2.gz UKXQZNKKNJQXQC-SNVBAGLBSA-N 1 1 197.278 1.446 10 30 ADEEMO C=CC[N@@H+](CC(=O)OCC)C(C)(C)C 382491078 346535722 /nfs/dbraw/zinc/53/57/22/346535722.db2.gz DMZIIMFKFDEWOE-UHFFFAOYSA-N 1 1 199.294 1.836 10 30 ADEEMO C=CC[N@H+](CC(=O)OCC)C(C)(C)C 382491078 346535724 /nfs/dbraw/zinc/53/57/24/346535724.db2.gz DMZIIMFKFDEWOE-UHFFFAOYSA-N 1 1 199.294 1.836 10 30 ADEEMO C=CCC[N@H+](C)[C@H](C(=O)OC)C1CC1 382540954 346535735 /nfs/dbraw/zinc/53/57/35/346535735.db2.gz UKXQZNKKNJQXQC-JTQLQIEISA-N 1 1 197.278 1.446 10 30 ADEEMO C=C(C)C[N@@H+](C)[C@@H](C(=O)OC)C1CC1 382521044 346535766 /nfs/dbraw/zinc/53/57/66/346535766.db2.gz AKVAGVBIJAPNRR-SNVBAGLBSA-N 1 1 197.278 1.446 10 30 ADEEMO C=C(C)C[N@H+](C)[C@@H](C(=O)OC)C1CC1 382521044 346535767 /nfs/dbraw/zinc/53/57/67/346535767.db2.gz AKVAGVBIJAPNRR-SNVBAGLBSA-N 1 1 197.278 1.446 10 30 ADEEMO C=C(C)C[N@@H+](CC)[C@H](C)C(=O)OCC 382522390 346535880 /nfs/dbraw/zinc/53/58/80/346535880.db2.gz BLLQHGOQYRTJKK-SNVBAGLBSA-N 1 1 199.294 1.836 10 30 ADEEMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)OCC 382522390 346535881 /nfs/dbraw/zinc/53/58/81/346535881.db2.gz BLLQHGOQYRTJKK-SNVBAGLBSA-N 1 1 199.294 1.836 10 30 ADEEMO C[N@@H+](CCCCO)CC1(CC#N)CC1 384859642 346539855 /nfs/dbraw/zinc/53/98/55/346539855.db2.gz IWVVJKUZRYDNHF-UHFFFAOYSA-N 1 1 196.294 1.385 10 30 ADEEMO C[N@@H+](CCCCO)CCC(C)(C)C#N 384863319 346540244 /nfs/dbraw/zinc/54/02/44/346540244.db2.gz MMFMFZHMQRUXFZ-UHFFFAOYSA-N 1 1 198.310 1.631 10 30 ADEEMO C[N@@H+](CCCCO)[C@H]1CCC[C@H]1C#N 384871897 346540631 /nfs/dbraw/zinc/54/06/31/346540631.db2.gz VUEYMWZMPLZJLL-QWRGUYRKSA-N 1 1 196.294 1.383 10 30 ADEEMO C[N@@H+](CCCCO)[C@@H]1CCC[C@H]1C#N 384871898 346540790 /nfs/dbraw/zinc/54/07/90/346540790.db2.gz VUEYMWZMPLZJLL-WDEREUQCSA-N 1 1 196.294 1.383 10 30 ADEEMO C[N@@H+](CCCCO)[C@@H]1CCC[C@@H]1C#N 384871893 346541035 /nfs/dbraw/zinc/54/10/35/346541035.db2.gz VUEYMWZMPLZJLL-GHMZBOCLSA-N 1 1 196.294 1.383 10 30 ADEEMO C[N@@H+](CCCCO)[C@H]1CCC[C@@H]1C#N 384871895 346541115 /nfs/dbraw/zinc/54/11/15/346541115.db2.gz VUEYMWZMPLZJLL-MNOVXSKESA-N 1 1 196.294 1.383 10 30 ADEEMO C[C@@H]1[C@@H](O)CCC[N@H+]1CCCCC#N 384955980 346541450 /nfs/dbraw/zinc/54/14/50/346541450.db2.gz VYNOCENDHDYBAC-MNOVXSKESA-N 1 1 196.294 1.525 10 30 ADEEMO C[C@@H]1[C@H](O)CCC[N@H+]1CCCCC#N 384955979 346541506 /nfs/dbraw/zinc/54/15/06/346541506.db2.gz VYNOCENDHDYBAC-GHMZBOCLSA-N 1 1 196.294 1.525 10 30 ADEEMO C[C@H]1[C@H](O)CCC[N@H+]1CCCCC#N 384955982 346541619 /nfs/dbraw/zinc/54/16/19/346541619.db2.gz VYNOCENDHDYBAC-WDEREUQCSA-N 1 1 196.294 1.525 10 30 ADEEMO C[C@H]1[C@@H](O)CCC[N@H+]1CCCCC#N 384955981 346541675 /nfs/dbraw/zinc/54/16/75/346541675.db2.gz VYNOCENDHDYBAC-QWRGUYRKSA-N 1 1 196.294 1.525 10 30 ADEEMO CC[C@@H]1[C@H](CO)CC[N@H+]1CCCC#N 385751100 346544456 /nfs/dbraw/zinc/54/44/56/346544456.db2.gz CYOFZBZUNNAZNZ-WDEREUQCSA-N 1 1 196.294 1.383 10 30 ADEEMO CC[C@@H]1[C@@H](CO)CC[N@H+]1CCCC#N 385751096 346544601 /nfs/dbraw/zinc/54/46/01/346544601.db2.gz CYOFZBZUNNAZNZ-GHMZBOCLSA-N 1 1 196.294 1.383 10 30 ADEEMO CC[C@H]1[C@H](CO)CC[N@H+]1CCCC#N 385751099 346544668 /nfs/dbraw/zinc/54/46/68/346544668.db2.gz CYOFZBZUNNAZNZ-QWRGUYRKSA-N 1 1 196.294 1.383 10 30 ADEEMO CC1(C)CCC[N@H+]1CCOCCC#N 385407212 346544737 /nfs/dbraw/zinc/54/47/37/346544737.db2.gz YAFOGDAATIEDJC-UHFFFAOYSA-N 1 1 196.294 1.791 10 30 ADEEMO CC[C@H]1[C@@H](CO)CC[N@H+]1CCCC#N 385751097 346544793 /nfs/dbraw/zinc/54/47/93/346544793.db2.gz CYOFZBZUNNAZNZ-MNOVXSKESA-N 1 1 196.294 1.383 10 30 ADEEMO CCN(CCC#N)C[C@@H]1CCC[N@H+]1C 386653876 346545424 /nfs/dbraw/zinc/54/54/24/346545424.db2.gz CDSUIDZSFRHSOS-NSHDSACASA-N 1 1 195.310 1.316 10 30 ADEEMO C=C(C)C[N@@H+](CCCO)C1CC1 388021821 346545757 /nfs/dbraw/zinc/54/57/57/346545757.db2.gz AMVMBWINNIJVLY-UHFFFAOYSA-N 1 1 169.268 1.409 10 30 ADEEMO C=CC[N@@H+](C[C@H](C)C#N)C1CC1 388483993 346556484 /nfs/dbraw/zinc/55/64/84/346556484.db2.gz XMTDEJUMMWWSER-SECBINFHSA-N 1 1 164.252 1.796 10 30 ADEEMO C=CC[N@H+](C[C@H](C)C#N)C1CC1 388483993 346556488 /nfs/dbraw/zinc/55/64/88/346556488.db2.gz XMTDEJUMMWWSER-SECBINFHSA-N 1 1 164.252 1.796 10 30 ADEEMO C=CC[N@@H+](C[C@@H](C)C#N)C1CC1 388483995 346556659 /nfs/dbraw/zinc/55/66/59/346556659.db2.gz XMTDEJUMMWWSER-VIFPVBQESA-N 1 1 164.252 1.796 10 30 ADEEMO C=CC[N@H+](C[C@@H](C)C#N)C1CC1 388483995 346556662 /nfs/dbraw/zinc/55/66/62/346556662.db2.gz XMTDEJUMMWWSER-VIFPVBQESA-N 1 1 164.252 1.796 10 30 ADEEMO C=CCC[N@@H+]1CCOC[C@@H]1CC 388487806 346557424 /nfs/dbraw/zinc/55/74/24/346557424.db2.gz DPFIYAGSDVQMLN-JTQLQIEISA-N 1 1 169.268 1.673 10 30 ADEEMO C=CCC[N@@H+]1CCOC[C@H]1CC 388487807 346557521 /nfs/dbraw/zinc/55/75/21/346557521.db2.gz DPFIYAGSDVQMLN-SNVBAGLBSA-N 1 1 169.268 1.673 10 30 ADEEMO C=C(C)C[N@@H+](C)C[C@@H]1CCCO1 388489623 346557594 /nfs/dbraw/zinc/55/75/94/346557594.db2.gz FVAKAEWSCZVLSG-JTQLQIEISA-N 1 1 169.268 1.673 10 30 ADEEMO C=CCCC[NH2+][C@H](CC)C(=O)OC 388574736 346558785 /nfs/dbraw/zinc/55/87/85/346558785.db2.gz AOLVFOPIAVNMPZ-SECBINFHSA-N 1 1 185.267 1.494 10 30 ADEEMO C=CCCC[NH2+][C@@H](CC)C(=O)OC 388574737 346558900 /nfs/dbraw/zinc/55/89/00/346558900.db2.gz AOLVFOPIAVNMPZ-VIFPVBQESA-N 1 1 185.267 1.494 10 30 ADEEMO C=C(CC)C[N@H+](C)[C@@H](C)C(=O)OC 388580093 346558917 /nfs/dbraw/zinc/55/89/17/346558917.db2.gz BAOXEMXXAUHOGM-VIFPVBQESA-N 1 1 185.267 1.446 10 30 ADEEMO C=C(CC)C[N@@H+](C)[C@@H](C)C(=O)OC 388580093 346558918 /nfs/dbraw/zinc/55/89/18/346558918.db2.gz BAOXEMXXAUHOGM-VIFPVBQESA-N 1 1 185.267 1.446 10 30 ADEEMO C[C@H](O)CC[N@@H+](C)CC(C)(C)C#N 388592099 346559764 /nfs/dbraw/zinc/55/97/64/346559764.db2.gz MBAQPZWYIUNZTO-VIFPVBQESA-N 1 1 184.283 1.239 10 30 ADEEMO COCCC[N@@H+](C)CC(C)(C)C#N 388594334 346559833 /nfs/dbraw/zinc/55/98/33/346559833.db2.gz CACDMHVQWRULOE-UHFFFAOYSA-N 1 1 184.283 1.504 10 30 ADEEMO C[C@@H](O)CC[N@@H+](C)CC(C)(C)C#N 388592098 346559912 /nfs/dbraw/zinc/55/99/12/346559912.db2.gz MBAQPZWYIUNZTO-SECBINFHSA-N 1 1 184.283 1.239 10 30 ADEEMO C=CCC[N@@H+]1CCC[C@H](COC)C1 388598846 346560522 /nfs/dbraw/zinc/56/05/22/346560522.db2.gz DUQLFGAOVADTQV-NSHDSACASA-N 1 1 183.295 1.921 10 30 ADEEMO C=CCC[N@@H+]1CCC[C@@H](COC)C1 388598845 346560753 /nfs/dbraw/zinc/56/07/53/346560753.db2.gz DUQLFGAOVADTQV-LLVKDONJSA-N 1 1 183.295 1.921 10 30 ADEEMO C=CCC[N@@H+]1CCC[C@H](N(C)C)C1 388628975 346562055 /nfs/dbraw/zinc/56/20/55/346562055.db2.gz IDHNCQIGNUAHRQ-NSHDSACASA-N 1 1 182.311 1.589 10 30 ADEEMO C=CCCN1CCC[C@H]([NH+](C)C)C1 388628975 346562058 /nfs/dbraw/zinc/56/20/58/346562058.db2.gz IDHNCQIGNUAHRQ-NSHDSACASA-N 1 1 182.311 1.589 10 30 ADEEMO C=CCC[N@@H+]1CCC[C@@H](N(C)C)C1 388628973 346562215 /nfs/dbraw/zinc/56/22/15/346562215.db2.gz IDHNCQIGNUAHRQ-LLVKDONJSA-N 1 1 182.311 1.589 10 30 ADEEMO C=CCCN1CCC[C@@H]([NH+](C)C)C1 388628973 346562217 /nfs/dbraw/zinc/56/22/17/346562217.db2.gz IDHNCQIGNUAHRQ-LLVKDONJSA-N 1 1 182.311 1.589 10 30 ADEEMO C[C@@H](CC#N)[N@H+](C)C[C@@H](O)C(C)(C)C 388708630 346564320 /nfs/dbraw/zinc/56/43/20/346564320.db2.gz QMHMEIQUAVGSDA-VHSXEESVSA-N 1 1 198.310 1.627 10 30 ADEEMO C[C@@H](CC#N)[N@@H+](C)C[C@@H](O)C(C)(C)C 388708630 346564322 /nfs/dbraw/zinc/56/43/22/346564322.db2.gz QMHMEIQUAVGSDA-VHSXEESVSA-N 1 1 198.310 1.627 10 30 ADEEMO C[C@H](CC#N)[N@H+](C)C[C@H](O)C(C)(C)C 388708631 346564550 /nfs/dbraw/zinc/56/45/50/346564550.db2.gz QMHMEIQUAVGSDA-ZJUUUORDSA-N 1 1 198.310 1.627 10 30 ADEEMO C[C@H](CC#N)[N@@H+](C)C[C@H](O)C(C)(C)C 388708631 346564552 /nfs/dbraw/zinc/56/45/52/346564552.db2.gz QMHMEIQUAVGSDA-ZJUUUORDSA-N 1 1 198.310 1.627 10 30 ADEEMO C[C@H](CC#N)[N@H+](C)C[C@@H](O)C(C)(C)C 388708628 346564560 /nfs/dbraw/zinc/56/45/60/346564560.db2.gz QMHMEIQUAVGSDA-NXEZZACHSA-N 1 1 198.310 1.627 10 30 ADEEMO C[C@@H](CC#N)[N@H+](C)C[C@H](O)C(C)(C)C 388708629 346564763 /nfs/dbraw/zinc/56/47/63/346564763.db2.gz QMHMEIQUAVGSDA-UWVGGRQHSA-N 1 1 198.310 1.627 10 30 ADEEMO C[C@@H](CC#N)[N@@H+](C)C[C@H](O)C(C)(C)C 388708629 346564764 /nfs/dbraw/zinc/56/47/64/346564764.db2.gz QMHMEIQUAVGSDA-UWVGGRQHSA-N 1 1 198.310 1.627 10 30 ADEEMO C=CC[N@@H+](C)CC(=O)NC(C)(C)C 388787094 346567398 /nfs/dbraw/zinc/56/73/98/346567398.db2.gz LALYZOOQUGEJNE-UHFFFAOYSA-N 1 1 184.283 1.019 10 30 ADEEMO C=CC[N@H+](C)CC(=O)NC(C)(C)C 388787094 346567401 /nfs/dbraw/zinc/56/74/01/346567401.db2.gz LALYZOOQUGEJNE-UHFFFAOYSA-N 1 1 184.283 1.019 10 30 ADEEMO C[C@H](C#N)C[N@H+](CCCF)C1CC1 388825512 346567721 /nfs/dbraw/zinc/56/77/21/346567721.db2.gz VGDPFCUWHITQOT-SECBINFHSA-N 1 1 184.258 1.970 10 30 ADEEMO C[C@H](C#N)C[N@@H+](CCCF)C1CC1 388825512 346567725 /nfs/dbraw/zinc/56/77/25/346567725.db2.gz VGDPFCUWHITQOT-SECBINFHSA-N 1 1 184.258 1.970 10 30 ADEEMO C=CCCC[N@H+](C)[C@H](CC)C(N)=O 388830507 346567733 /nfs/dbraw/zinc/56/77/33/346567733.db2.gz WBUPQOFKYFVQAL-SECBINFHSA-N 1 1 184.283 1.148 10 30 ADEEMO C=CCCC[N@H+](C)[C@@H](CC)C(N)=O 388830509 346567748 /nfs/dbraw/zinc/56/77/48/346567748.db2.gz WBUPQOFKYFVQAL-VIFPVBQESA-N 1 1 184.283 1.148 10 30 ADEEMO C[C@@H](C#N)C[N@@H+](CCCF)C1CC1 388825514 346567764 /nfs/dbraw/zinc/56/77/64/346567764.db2.gz VGDPFCUWHITQOT-VIFPVBQESA-N 1 1 184.258 1.970 10 30 ADEEMO C=CCCCN1CC[N@H+]2CCC[C@H]2C1 388844095 346568183 /nfs/dbraw/zinc/56/81/83/346568183.db2.gz XWIHBIMZDGMVGB-LBPRGKRZSA-N 1 1 194.322 1.733 10 30 ADEEMO C=CCCCN1CC[N@H+]2CCC[C@@H]2C1 388844094 346568061 /nfs/dbraw/zinc/56/80/61/346568061.db2.gz XWIHBIMZDGMVGB-GFCCVEGCSA-N 1 1 194.322 1.733 10 30 ADEEMO C=CCSCC[NH2+]Cc1cocn1 388951183 346569675 /nfs/dbraw/zinc/56/96/75/346569675.db2.gz ZRLVOBQNYCPPAX-UHFFFAOYSA-N 1 1 198.291 1.683 10 30 ADEEMO Cc1cc(C[NH2+]C[C@H](C)C#N)ccn1 391187331 346573989 /nfs/dbraw/zinc/57/39/89/346573989.db2.gz PHSAIXKMVMCOHX-SECBINFHSA-N 1 1 189.262 1.639 10 30 ADEEMO Cc1cc(C[NH2+]C[C@@H](C)C#N)ccn1 391187332 346574245 /nfs/dbraw/zinc/57/42/45/346574245.db2.gz PHSAIXKMVMCOHX-VIFPVBQESA-N 1 1 189.262 1.639 10 30 ADEEMO CC[C@@H]1CC[N@H+]1CCOCCC#N 393540073 346578286 /nfs/dbraw/zinc/57/82/86/346578286.db2.gz DAVFMPNIQPVLOM-SNVBAGLBSA-N 1 1 182.267 1.401 10 30 ADEEMO C=CC[N@@H+](C)CCc1noc(C)n1 393708734 346581818 /nfs/dbraw/zinc/58/18/18/346581818.db2.gz CIFMJQJIIQHLSZ-UHFFFAOYSA-N 1 1 181.239 1.038 10 30 ADEEMO C=C[C@@H](C)[NH2+]Cc1nc(C#N)cs1 393715020 346582487 /nfs/dbraw/zinc/58/24/87/346582487.db2.gz NNVOTPFDUFXAHT-SSDOTTSWSA-N 1 1 193.275 1.679 10 30 ADEEMO CC(C)(C#N)C[NH2+]Cc1cn[nH]c1 393716349 346582563 /nfs/dbraw/zinc/58/25/63/346582563.db2.gz RWXXXVDRBVKYTO-UHFFFAOYSA-N 1 1 178.239 1.049 10 30 ADEEMO C=C[C@H](C)[NH2+]Cc1nc(C#N)cs1 393715024 346582721 /nfs/dbraw/zinc/58/27/21/346582721.db2.gz NNVOTPFDUFXAHT-ZETCQYMHSA-N 1 1 193.275 1.679 10 30 ADEEMO CCCC(C)=NN1CC[NH+](C)CC1 393721079 346583126 /nfs/dbraw/zinc/58/31/26/346583126.db2.gz HNUQYXMWUWSSTL-UHFFFAOYSA-N 1 1 183.299 1.410 10 30 ADEEMO C=CCC[C@@H](C)[NH2+]Cc1c[nH]nn1 398387339 346596626 /nfs/dbraw/zinc/59/66/26/346596626.db2.gz XEIBGSDAUZWSNG-MRVPVSSYSA-N 1 1 180.255 1.249 10 30 ADEEMO C=CCC[C@@H](C)[NH2+]Cc1cn[nH]n1 398387339 346596628 /nfs/dbraw/zinc/59/66/28/346596628.db2.gz XEIBGSDAUZWSNG-MRVPVSSYSA-N 1 1 180.255 1.249 10 30 ADEEMO C[C@@H]1CC[C@@H](O)C[N@H+]1CCCCC#N 399504029 346598617 /nfs/dbraw/zinc/59/86/17/346598617.db2.gz XEGVXSHSLHHYCD-GHMZBOCLSA-N 1 1 196.294 1.525 10 30 ADEEMO C[C@H]1CC[C@H](O)C[N@H+]1CCCCC#N 399504033 346598646 /nfs/dbraw/zinc/59/86/46/346598646.db2.gz XEGVXSHSLHHYCD-QWRGUYRKSA-N 1 1 196.294 1.525 10 30 ADEEMO C[C@H]1CC[C@@H](O)C[N@H+]1CCCCC#N 399504034 346598756 /nfs/dbraw/zinc/59/87/56/346598756.db2.gz XEGVXSHSLHHYCD-WDEREUQCSA-N 1 1 196.294 1.525 10 30 ADEEMO C[C@@H]1CC[C@H](O)C[N@H+]1CCCCC#N 399504031 346598928 /nfs/dbraw/zinc/59/89/28/346598928.db2.gz XEGVXSHSLHHYCD-MNOVXSKESA-N 1 1 196.294 1.525 10 30 ADEEMO CO[C@H](C[N@H+](C)CCC#N)C1CC1 400178670 346600394 /nfs/dbraw/zinc/60/03/94/346600394.db2.gz OHGGGBYXDLMXQO-SNVBAGLBSA-N 1 1 182.267 1.257 10 30 ADEEMO CO[C@H](C[N@@H+](C)CCC#N)C1CC1 400178670 346600399 /nfs/dbraw/zinc/60/03/99/346600399.db2.gz OHGGGBYXDLMXQO-SNVBAGLBSA-N 1 1 182.267 1.257 10 30 ADEEMO CO[C@@H](C[N@H+](C)CCC#N)C1CC1 400178669 346600484 /nfs/dbraw/zinc/60/04/84/346600484.db2.gz OHGGGBYXDLMXQO-JTQLQIEISA-N 1 1 182.267 1.257 10 30 ADEEMO CO[C@@H](C[N@@H+](C)CCC#N)C1CC1 400178669 346600485 /nfs/dbraw/zinc/60/04/85/346600485.db2.gz OHGGGBYXDLMXQO-JTQLQIEISA-N 1 1 182.267 1.257 10 30 ADEEMO C[N@H+](CCC#N)CCC[C@H]1CCOC1 400913405 346602473 /nfs/dbraw/zinc/60/24/73/346602473.db2.gz FVCYEABYEAOKPS-NSHDSACASA-N 1 1 196.294 1.649 10 30 ADEEMO C[N@H+](CCC#N)CCC[C@@H]1CCOC1 400913403 346602489 /nfs/dbraw/zinc/60/24/89/346602489.db2.gz FVCYEABYEAOKPS-LLVKDONJSA-N 1 1 196.294 1.649 10 30 ADEEMO C=C(C)C[N@@H+]1[C@@H](C)[C@H](C)NC[C@H]1C 401373042 346605112 /nfs/dbraw/zinc/60/51/12/346605112.db2.gz IRWAXUHCZLLKCS-VWYCJHECSA-N 1 1 182.311 1.633 10 30 ADEEMO C=C(C)C[N@H+]1[C@@H](C)[C@H](C)NC[C@H]1C 401373042 346605114 /nfs/dbraw/zinc/60/51/14/346605114.db2.gz IRWAXUHCZLLKCS-VWYCJHECSA-N 1 1 182.311 1.633 10 30 ADEEMO C=C(C)C[N@H+]1[C@H](C)CN[C@H](C)[C@H]1C 401373037 346605202 /nfs/dbraw/zinc/60/52/02/346605202.db2.gz IRWAXUHCZLLKCS-GMTAPVOTSA-N 1 1 182.311 1.633 10 30 ADEEMO C=C(C)C[N@@H+]1[C@H](C)CN[C@H](C)[C@H]1C 401373037 346605204 /nfs/dbraw/zinc/60/52/04/346605204.db2.gz IRWAXUHCZLLKCS-GMTAPVOTSA-N 1 1 182.311 1.633 10 30 ADEEMO C=C(C)C[N@@H+]1[C@@H](C)[C@@H](C)NC[C@H]1C 401373039 346605312 /nfs/dbraw/zinc/60/53/12/346605312.db2.gz IRWAXUHCZLLKCS-MXWKQRLJSA-N 1 1 182.311 1.633 10 30 ADEEMO C=C(C)C[N@H+]1[C@@H](C)[C@@H](C)NC[C@H]1C 401373039 346605314 /nfs/dbraw/zinc/60/53/14/346605314.db2.gz IRWAXUHCZLLKCS-MXWKQRLJSA-N 1 1 182.311 1.633 10 30 ADEEMO C=C(C)C[N@H+]1[C@H](C)CN[C@@H](C)[C@H]1C 401373041 346605373 /nfs/dbraw/zinc/60/53/73/346605373.db2.gz IRWAXUHCZLLKCS-OUAUKWLOSA-N 1 1 182.311 1.633 10 30 ADEEMO C=C(C)C[N@@H+]1[C@H](C)CN[C@@H](C)[C@H]1C 401373041 346605375 /nfs/dbraw/zinc/60/53/75/346605375.db2.gz IRWAXUHCZLLKCS-OUAUKWLOSA-N 1 1 182.311 1.633 10 30 ADEEMO C#CCC[N@@H+]1[C@H](C)CN[C@@H](C)[C@H]1C 401418582 346606546 /nfs/dbraw/zinc/60/65/46/346606546.db2.gz YLSZTWXXGZYMMQ-OUAUKWLOSA-N 1 1 180.295 1.080 10 30 ADEEMO C#CCC[N@H+]1[C@H](C)CN[C@@H](C)[C@H]1C 401418582 346606549 /nfs/dbraw/zinc/60/65/49/346606549.db2.gz YLSZTWXXGZYMMQ-OUAUKWLOSA-N 1 1 180.295 1.080 10 30 ADEEMO C#CCC[N@H+]1[C@@H](C)[C@H](C)NC[C@H]1C 401418583 346606612 /nfs/dbraw/zinc/60/66/12/346606612.db2.gz YLSZTWXXGZYMMQ-VWYCJHECSA-N 1 1 180.295 1.080 10 30 ADEEMO C#CCC[N@@H+]1[C@@H](C)[C@H](C)NC[C@H]1C 401418583 346606617 /nfs/dbraw/zinc/60/66/17/346606617.db2.gz YLSZTWXXGZYMMQ-VWYCJHECSA-N 1 1 180.295 1.080 10 30 ADEEMO C#CCC[N@@H+]1[C@H](C)CN[C@H](C)[C@H]1C 401418577 346606686 /nfs/dbraw/zinc/60/66/86/346606686.db2.gz YLSZTWXXGZYMMQ-GMTAPVOTSA-N 1 1 180.295 1.080 10 30 ADEEMO C#CCC[N@H+]1[C@H](C)CN[C@H](C)[C@H]1C 401418577 346606691 /nfs/dbraw/zinc/60/66/91/346606691.db2.gz YLSZTWXXGZYMMQ-GMTAPVOTSA-N 1 1 180.295 1.080 10 30 ADEEMO C#CCC[N@H+]1[C@@H](C)[C@@H](C)NC[C@H]1C 401418579 346606911 /nfs/dbraw/zinc/60/69/11/346606911.db2.gz YLSZTWXXGZYMMQ-MXWKQRLJSA-N 1 1 180.295 1.080 10 30 ADEEMO C#CCC[N@@H+]1[C@@H](C)[C@@H](C)NC[C@H]1C 401418579 346606912 /nfs/dbraw/zinc/60/69/12/346606912.db2.gz YLSZTWXXGZYMMQ-MXWKQRLJSA-N 1 1 180.295 1.080 10 30 ADEEMO C[C@@H]1C[C@H]([N@@H+](C)CCS)CO1 401445156 346607843 /nfs/dbraw/zinc/60/78/43/346607843.db2.gz UOBZPLXDUUYDMF-SFYZADRCSA-N 1 1 175.297 1.025 10 30 ADEEMO C[C@H]1C[C@@H]([N@@H+](C)CCS)CO1 401445155 346607850 /nfs/dbraw/zinc/60/78/50/346607850.db2.gz UOBZPLXDUUYDMF-JGVFFNPUSA-N 1 1 175.297 1.025 10 30 ADEEMO C[C@@H]1C[C@@H]([N@@H+](C)CCS)CO1 401445154 346607864 /nfs/dbraw/zinc/60/78/64/346607864.db2.gz UOBZPLXDUUYDMF-HTQZYQBOSA-N 1 1 175.297 1.025 10 30 ADEEMO C[C@H]1C[C@H]([N@@H+](C)CCS)CO1 401445157 346607915 /nfs/dbraw/zinc/60/79/15/346607915.db2.gz UOBZPLXDUUYDMF-YUMQZZPRSA-N 1 1 175.297 1.025 10 30 ADEEMO C[N@@H+](CCCCC#N)[C@@H]1CCCOC1 401454161 346608420 /nfs/dbraw/zinc/60/84/20/346608420.db2.gz GYBUDYRXHLZOIA-LLVKDONJSA-N 1 1 196.294 1.791 10 30 ADEEMO C[N@@H+](CCCCC#N)[C@H]1CCCOC1 401454163 346608584 /nfs/dbraw/zinc/60/85/84/346608584.db2.gz GYBUDYRXHLZOIA-NSHDSACASA-N 1 1 196.294 1.791 10 30 ADEEMO C[C@H]1C[C@H](O)C[N@@H+](CCCCC#N)C1 401664477 346614836 /nfs/dbraw/zinc/61/48/36/346614836.db2.gz RCRRSBVEKDKMPA-QWRGUYRKSA-N 1 1 196.294 1.383 10 30 ADEEMO C[C@H]1C[C@@H](O)C[N@@H+](CCCCC#N)C1 401664478 346614977 /nfs/dbraw/zinc/61/49/77/346614977.db2.gz RCRRSBVEKDKMPA-WDEREUQCSA-N 1 1 196.294 1.383 10 30 ADEEMO C[C@@H]1C[C@@H](O)C[N@@H+](CCCCC#N)C1 401664475 346615042 /nfs/dbraw/zinc/61/50/42/346615042.db2.gz RCRRSBVEKDKMPA-GHMZBOCLSA-N 1 1 196.294 1.383 10 30 ADEEMO C[N@@H+](CCS)[C@H]1CCCOC1 401686214 346615896 /nfs/dbraw/zinc/61/58/96/346615896.db2.gz XTVXJYBEGILZGG-QMMMGPOBSA-N 1 1 175.297 1.027 10 30 ADEEMO C[N@@H+](CCS)[C@@H]1CCCOC1 401686005 346615946 /nfs/dbraw/zinc/61/59/46/346615946.db2.gz XTVXJYBEGILZGG-MRVPVSSYSA-N 1 1 175.297 1.027 10 30 ADEEMO CC[N@@H+](CCCC#N)[C@H]1CCCOC1 402849964 346633349 /nfs/dbraw/zinc/63/33/49/346633349.db2.gz SEHXJOISSPEKFI-NSHDSACASA-N 1 1 196.294 1.791 10 30 ADEEMO CC[N@@H+](CCCC#N)[C@@H]1CCCOC1 402849962 346633553 /nfs/dbraw/zinc/63/35/53/346633553.db2.gz SEHXJOISSPEKFI-LLVKDONJSA-N 1 1 196.294 1.791 10 30 ADEEMO CC[N@@H+](C)[C@H]1CCC[C@](N)(C#N)C1 403313287 346634627 /nfs/dbraw/zinc/63/46/27/346634627.db2.gz AZTQESZPOBAXCF-VHSXEESVSA-N 1 1 181.283 1.102 10 30 ADEEMO CC[N@@H+](C)[C@H]1CCC[C@@](N)(C#N)C1 403313286 346634642 /nfs/dbraw/zinc/63/46/42/346634642.db2.gz AZTQESZPOBAXCF-UWVGGRQHSA-N 1 1 181.283 1.102 10 30 ADEEMO CC[N@@H+](C)[C@@H]1CCC[C@](N)(C#N)C1 403313285 346634693 /nfs/dbraw/zinc/63/46/93/346634693.db2.gz AZTQESZPOBAXCF-NXEZZACHSA-N 1 1 181.283 1.102 10 30 ADEEMO CS[C@H]1CCC[C@]([NH3+])(C#N)C1 403315353 346634702 /nfs/dbraw/zinc/63/47/02/346634702.db2.gz DCVXRBAGCOUQGI-JGVFFNPUSA-N 1 1 170.281 1.513 10 30 ADEEMO CC[N@@H+](C)[C@@H]1CCC[C@@](N)(C#N)C1 403313288 346634710 /nfs/dbraw/zinc/63/47/10/346634710.db2.gz AZTQESZPOBAXCF-ZJUUUORDSA-N 1 1 181.283 1.102 10 30 ADEEMO CS[C@@H]1CCC[C@@]([NH3+])(C#N)C1 403315355 346634798 /nfs/dbraw/zinc/63/47/98/346634798.db2.gz DCVXRBAGCOUQGI-SFYZADRCSA-N 1 1 170.281 1.513 10 30 ADEEMO CS[C@H]1CCC[C@@]([NH3+])(C#N)C1 403315357 346634822 /nfs/dbraw/zinc/63/48/22/346634822.db2.gz DCVXRBAGCOUQGI-YUMQZZPRSA-N 1 1 170.281 1.513 10 30 ADEEMO CSC[C@H]1CCC[C@]([NH3+])(C#N)C1 403345750 346635308 /nfs/dbraw/zinc/63/53/08/346635308.db2.gz VHNVISZTIFPYSH-DTWKUNHWSA-N 1 1 184.308 1.761 10 30 ADEEMO CCS[C@@H]1CCC[C@@]([NH3+])(C#N)C1 403326423 346635183 /nfs/dbraw/zinc/63/51/83/346635183.db2.gz OLVUWMDRLBWFOE-BDAKNGLRSA-N 1 1 184.308 1.903 10 30 ADEEMO CSC[C@@H]1CCC[C@]([NH3+])(C#N)C1 403345754 346635213 /nfs/dbraw/zinc/63/52/13/346635213.db2.gz VHNVISZTIFPYSH-RKDXNWHRSA-N 1 1 184.308 1.761 10 30 ADEEMO CSC[C@H]1CCC[C@@]([NH3+])(C#N)C1 403345752 346635224 /nfs/dbraw/zinc/63/52/24/346635224.db2.gz VHNVISZTIFPYSH-IUCAKERBSA-N 1 1 184.308 1.761 10 30 ADEEMO CCS[C@H]1CCC[C@]([NH3+])(C#N)C1 403326427 346635288 /nfs/dbraw/zinc/63/52/88/346635288.db2.gz OLVUWMDRLBWFOE-DTWKUNHWSA-N 1 1 184.308 1.903 10 30 ADEEMO CCS[C@H]1CCC[C@@]([NH3+])(C#N)C1 403326429 346635295 /nfs/dbraw/zinc/63/52/95/346635295.db2.gz OLVUWMDRLBWFOE-IUCAKERBSA-N 1 1 184.308 1.903 10 30 ADEEMO CCS[C@@H]1CCC[C@]([NH3+])(C#N)C1 403326430 346635338 /nfs/dbraw/zinc/63/53/38/346635338.db2.gz OLVUWMDRLBWFOE-RKDXNWHRSA-N 1 1 184.308 1.903 10 30 ADEEMO CSC[C@@H]1CCC[C@@]([NH3+])(C#N)C1 403345747 346635408 /nfs/dbraw/zinc/63/54/08/346635408.db2.gz VHNVISZTIFPYSH-BDAKNGLRSA-N 1 1 184.308 1.761 10 30 ADEEMO CC#CC[NH2+]CC=C(Cl)Cl 403379678 346635862 /nfs/dbraw/zinc/63/58/62/346635862.db2.gz OFJQIPWQTWHNLA-UHFFFAOYSA-N 1 1 178.062 1.918 10 30 ADEEMO C#C[C@H](C)[NH2+]CC=C(Cl)Cl 403431598 346636360 /nfs/dbraw/zinc/63/63/60/346636360.db2.gz YDMXJAVPBUZNBI-LURJTMIESA-N 1 1 178.062 1.917 10 30 ADEEMO C#C[C@@H](C)[NH2+]CC=C(Cl)Cl 403431600 346636393 /nfs/dbraw/zinc/63/63/93/346636393.db2.gz YDMXJAVPBUZNBI-ZCFIWIBFSA-N 1 1 178.062 1.917 10 30 ADEEMO N#CC1([NH3+])C[C@@H]2CC[C@H](C1)S2 403636922 346637853 /nfs/dbraw/zinc/63/78/53/346637853.db2.gz NWRFQEVNCNJJSG-DHBOJHSNSA-N 1 1 168.265 1.265 10 30 ADEEMO C[N@@H+](CCS)C1CCSCC1 403688009 346638212 /nfs/dbraw/zinc/63/82/12/346638212.db2.gz OTEGICZZPYTPNV-UHFFFAOYSA-N 1 1 191.365 1.744 10 30 ADEEMO C[N@@H+](CC=O)C1CCSCC1 403774001 346638559 /nfs/dbraw/zinc/63/85/59/346638559.db2.gz LFSVYNPSDIHGIF-UHFFFAOYSA-N 1 1 173.281 1.013 10 30 ADEEMO COC[C@H]1CCC[C@]([NH3+])(C#N)C1 403851989 346638962 /nfs/dbraw/zinc/63/89/62/346638962.db2.gz BCEXONVNLZWGSQ-DTWKUNHWSA-N 1 1 168.240 1.044 10 30 ADEEMO COC[C@H]1CCC[C@@]([NH3+])(C#N)C1 403851990 346639003 /nfs/dbraw/zinc/63/90/03/346639003.db2.gz BCEXONVNLZWGSQ-IUCAKERBSA-N 1 1 168.240 1.044 10 30 ADEEMO CC[C@H]1C[N@@H+](CCCC#N)[C@H](C)CO1 403905931 346639479 /nfs/dbraw/zinc/63/94/79/346639479.db2.gz AYLXLJPMEMXCQG-MNOVXSKESA-N 1 1 196.294 1.789 10 30 ADEEMO CC[C@@H]1C[N@@H+](CCCC#N)[C@H](C)CO1 403905930 346639505 /nfs/dbraw/zinc/63/95/05/346639505.db2.gz AYLXLJPMEMXCQG-GHMZBOCLSA-N 1 1 196.294 1.789 10 30 ADEEMO CCO[C@@H]1CCC[C@@]([NH3+])(C#N)C1 403915134 346639509 /nfs/dbraw/zinc/63/95/09/346639509.db2.gz YFOYIUBTZUKOEB-BDAKNGLRSA-N 1 1 168.240 1.187 10 30 ADEEMO CCO[C@H]1CCC[C@@]([NH3+])(C#N)C1 403915138 346639511 /nfs/dbraw/zinc/63/95/11/346639511.db2.gz YFOYIUBTZUKOEB-IUCAKERBSA-N 1 1 168.240 1.187 10 30 ADEEMO ClC1=CCC[N@H+](C[C@H]2CO2)C1 404398813 346641705 /nfs/dbraw/zinc/64/17/05/346641705.db2.gz YLSBOFWDSWZFKB-QMMMGPOBSA-N 1 1 173.643 1.214 10 30 ADEEMO ClC1=CCC[N@@H+](C[C@H]2CO2)C1 404398813 346641706 /nfs/dbraw/zinc/64/17/06/346641706.db2.gz YLSBOFWDSWZFKB-QMMMGPOBSA-N 1 1 173.643 1.214 10 30 ADEEMO CC#CC[NH2+]Cc1ccns1 404437986 346642528 /nfs/dbraw/zinc/64/25/28/346642528.db2.gz DSIIQNPZEPTTKU-UHFFFAOYSA-N 1 1 166.249 1.256 10 30 ADEEMO O=CCC[N@H+]1CCC=C(Cl)C1 404424064 346642547 /nfs/dbraw/zinc/64/25/47/346642547.db2.gz XLMCWZOYTQECFQ-UHFFFAOYSA-N 1 1 173.643 1.404 10 30 ADEEMO O=CCC[N@@H+]1CCC=C(Cl)C1 404424064 346642549 /nfs/dbraw/zinc/64/25/49/346642549.db2.gz XLMCWZOYTQECFQ-UHFFFAOYSA-N 1 1 173.643 1.404 10 30 ADEEMO C[N@H+](CCCC#N)Cc1ccns1 404444385 346643016 /nfs/dbraw/zinc/64/30/16/346643016.db2.gz ZJERAZMDKWBKJO-UHFFFAOYSA-N 1 1 195.291 1.879 10 30 ADEEMO C[N@@H+](CCCC#N)Cc1ccns1 404444385 346643019 /nfs/dbraw/zinc/64/30/19/346643019.db2.gz ZJERAZMDKWBKJO-UHFFFAOYSA-N 1 1 195.291 1.879 10 30 ADEEMO SCC[N@@H+]1CCC=C(Cl)C1 404456162 346643805 /nfs/dbraw/zinc/64/38/05/346643805.db2.gz FUZFMOQTWDLBNE-UHFFFAOYSA-N 1 1 177.700 1.745 10 30 ADEEMO SCC[N@H+]1CCC=C(Cl)C1 404456162 346643807 /nfs/dbraw/zinc/64/38/07/346643807.db2.gz FUZFMOQTWDLBNE-UHFFFAOYSA-N 1 1 177.700 1.745 10 30 ADEEMO O=CC[NH+]1CCC2(CC1)CC2(F)F 404737054 346650370 /nfs/dbraw/zinc/65/03/70/346650370.db2.gz AMGXOZFZMWNERM-UHFFFAOYSA-N 1 1 189.205 1.307 10 30 ADEEMO CC(C)(C=O)[NH+]1CCC(F)(F)CC1 404797071 346650982 /nfs/dbraw/zinc/65/09/82/346650982.db2.gz IIFQABCFFSPVKL-UHFFFAOYSA-N 1 1 191.221 1.695 10 30 ADEEMO CC(C)OCC[N@H+](C)CC(C)(C)C#N 405066149 346656449 /nfs/dbraw/zinc/65/64/49/346656449.db2.gz AUEISHXUNGWJMK-UHFFFAOYSA-N 1 1 198.310 1.893 10 30 ADEEMO CC(C)OCC[N@@H+](C)CC(C)(C)C#N 405066149 346656451 /nfs/dbraw/zinc/65/64/51/346656451.db2.gz AUEISHXUNGWJMK-UHFFFAOYSA-N 1 1 198.310 1.893 10 30 ADEEMO COC[C@H](C)C[N@@H+](C)CC(C)(C)C#N 405089963 346657175 /nfs/dbraw/zinc/65/71/75/346657175.db2.gz PJPKAWXPOSSSJM-SNVBAGLBSA-N 1 1 198.310 1.750 10 30 ADEEMO C#C[C@@H](C)[NH2+]CC(C)(C)C#N 405125907 346658228 /nfs/dbraw/zinc/65/82/28/346658228.db2.gz ANOKFCCEJADLOC-MRVPVSSYSA-N 1 1 150.225 1.147 10 30 ADEEMO C#C[C@H](C)[NH2+]CC(C)(C)C#N 405125908 346658262 /nfs/dbraw/zinc/65/82/62/346658262.db2.gz ANOKFCCEJADLOC-QMMMGPOBSA-N 1 1 150.225 1.147 10 30 ADEEMO O=C[C@@H]1CCCC[N@H+]1[C@@H]1CCSC1 405464546 346666796 /nfs/dbraw/zinc/66/67/96/346666796.db2.gz JJJXEEISXPOIRL-VHSXEESVSA-N 1 1 199.319 1.545 10 30 ADEEMO O=C[C@H]1CCCC[N@H+]1[C@@H]1CCSC1 405464540 346666768 /nfs/dbraw/zinc/66/67/68/346666768.db2.gz JJJXEEISXPOIRL-NXEZZACHSA-N 1 1 199.319 1.545 10 30 ADEEMO O=C[C@H]1CCCC[N@H+]1[C@H]1CCSC1 405464550 346666848 /nfs/dbraw/zinc/66/68/48/346666848.db2.gz JJJXEEISXPOIRL-ZJUUUORDSA-N 1 1 199.319 1.545 10 30 ADEEMO O=C[C@H]1CCC[N@H+]([C@@H]2CCSC2)C1 405488632 346666858 /nfs/dbraw/zinc/66/68/58/346666858.db2.gz OSVSNJUVODQTAI-VHSXEESVSA-N 1 1 199.319 1.403 10 30 ADEEMO O=C[C@@H]1CCCC[N@H+]1[C@H]1CCSC1 405464542 346666865 /nfs/dbraw/zinc/66/68/65/346666865.db2.gz JJJXEEISXPOIRL-UWVGGRQHSA-N 1 1 199.319 1.545 10 30 ADEEMO O=C[C@@H]1CCC[N@H+]([C@H]2CCSC2)C1 405488634 346666871 /nfs/dbraw/zinc/66/68/71/346666871.db2.gz OSVSNJUVODQTAI-ZJUUUORDSA-N 1 1 199.319 1.403 10 30 ADEEMO O=C[C@@H]1CCC[N@H+]([C@@H]2CCSC2)C1 405488627 346666886 /nfs/dbraw/zinc/66/68/86/346666886.db2.gz OSVSNJUVODQTAI-NXEZZACHSA-N 1 1 199.319 1.403 10 30 ADEEMO O=C[C@H]1CCC[N@H+]([C@H]2CCSC2)C1 405488630 346666915 /nfs/dbraw/zinc/66/69/15/346666915.db2.gz OSVSNJUVODQTAI-UWVGGRQHSA-N 1 1 199.319 1.403 10 30 ADEEMO C[C@@]([NH3+])(C#N)CC[Si](C)(C)C 584600079 346719740 /nfs/dbraw/zinc/71/97/40/346719740.db2.gz KRQVITLQKAJQNO-QMMMGPOBSA-N 1 1 170.332 1.956 10 30 ADEEMO C[C@]([NH3+])(C#N)CC[Si](C)(C)C 584600078 346719774 /nfs/dbraw/zinc/71/97/74/346719774.db2.gz KRQVITLQKAJQNO-MRVPVSSYSA-N 1 1 170.332 1.956 10 30 ADEEMO C#CC#CC[N@@H+]1CCc2ccccc2C1 584606181 346722865 /nfs/dbraw/zinc/72/28/65/346722865.db2.gz KEJMEJSMLTWBOM-UHFFFAOYSA-N 1 1 195.265 1.681 10 30 ADEEMO C#CC#CC[N@H+]1CCc2ccccc2C1 584606181 346722869 /nfs/dbraw/zinc/72/28/69/346722869.db2.gz KEJMEJSMLTWBOM-UHFFFAOYSA-N 1 1 195.265 1.681 10 30 ADEEMO CC(C)C/[NH+]=C/c1cn[nH]c1 584607368 346723909 /nfs/dbraw/zinc/72/39/09/346723909.db2.gz YSAQTUSCSNJAHU-RUDMXATFSA-N 1 1 151.213 1.485 10 30 ADEEMO C#CCn1cc[nH+]c1CC(C)C 584625153 346732250 /nfs/dbraw/zinc/73/22/50/346732250.db2.gz IPFSCLMIJIXTJL-UHFFFAOYSA-N 1 1 162.236 1.715 10 30 ADEEMO C=CCN(/C=N/C=C)/C=[NH+]/C=C 584657856 346744953 /nfs/dbraw/zinc/74/49/53/346744953.db2.gz OEZONEFJXPWVQH-GFULKKFKSA-N 1 1 163.224 1.818 10 30 ADEEMO C=C/N=C/N(/C=[NH+]/CC)CC 584657908 346745019 /nfs/dbraw/zinc/74/50/19/346745019.db2.gz SJQLYTCWNGPJNS-FIFLTTCUSA-N 1 1 153.229 1.528 10 30 ADEEMO COCC[N@H+]1[C@@H](C)C[C@H](C=O)C[C@H]1C 584883031 346750367 /nfs/dbraw/zinc/75/03/67/346750367.db2.gz FAVMPXIAGGUMSE-JGPRNRPPSA-N 1 1 199.294 1.321 10 30 ADEEMO C[C@H]1C[C@H](C=O)C[C@@H](C)[N@H+]1C1CC1 584883061 346751088 /nfs/dbraw/zinc/75/10/88/346751088.db2.gz GCIPVUUGFIZZKR-ILWJIGKKSA-N 1 1 181.279 1.837 10 30 ADEEMO C=C(C)C[N@H+](C)CC1(C(=O)OC)CC1 585719549 346761315 /nfs/dbraw/zinc/76/13/15/346761315.db2.gz ZSKOBICOVOBHQI-UHFFFAOYSA-N 1 1 197.278 1.448 10 30 ADEEMO N#CCC[N@H+]1CC[C@]2(CCCOC2)C1 585756325 346762217 /nfs/dbraw/zinc/76/22/17/346762217.db2.gz UQTZWYRAUGFHKT-LLVKDONJSA-N 1 1 194.278 1.403 10 30 ADEEMO N#CCC[N@@H+]1CCCCC[C@H]1CCO 585754249 346762317 /nfs/dbraw/zinc/76/23/17/346762317.db2.gz BLMMITUCNFFOJK-NSHDSACASA-N 1 1 196.294 1.527 10 30 ADEEMO N#CCC[N@@H+]1CCCCC[C@@H]1CCO 585754248 346762365 /nfs/dbraw/zinc/76/23/65/346762365.db2.gz BLMMITUCNFFOJK-LLVKDONJSA-N 1 1 196.294 1.527 10 30 ADEEMO N#CCC[N@H+]1CC[C@@]2(CCCOC2)C1 585756326 346762385 /nfs/dbraw/zinc/76/23/85/346762385.db2.gz UQTZWYRAUGFHKT-NSHDSACASA-N 1 1 194.278 1.403 10 30 ADEEMO C=CC[N@@H+](C)[C@@H](CC(C)C)C(=O)OC 586770046 346763063 /nfs/dbraw/zinc/76/30/63/346763063.db2.gz XXDFIAQXYAVLAH-JTQLQIEISA-N 1 1 199.294 1.692 10 30 ADEEMO C=CC[N@H+](C)[C@@H](CC(C)C)C(=O)OC 586770046 346763066 /nfs/dbraw/zinc/76/30/66/346763066.db2.gz XXDFIAQXYAVLAH-JTQLQIEISA-N 1 1 199.294 1.692 10 30 ADEEMO CO[C@H]1C[C@@H]([N@@H+](C)CCCCC#N)C1 586775340 346763525 /nfs/dbraw/zinc/76/35/25/346763525.db2.gz PSJJPRCSWPHKDO-PHIMTYICSA-N 1 1 196.294 1.789 10 30 ADEEMO CO[C@H]1C[C@@H]([N@@H+](C)CC2(C#N)CC2)C1 586775560 346763562 /nfs/dbraw/zinc/76/35/62/346763562.db2.gz DZQUKMKPOOSOBA-AOOOYVTPSA-N 1 1 194.278 1.399 10 30 ADEEMO C=CC[N@@H+](C)[C@H](CC(C)C)C(=O)OC 586770047 346763776 /nfs/dbraw/zinc/76/37/76/346763776.db2.gz XXDFIAQXYAVLAH-SNVBAGLBSA-N 1 1 199.294 1.692 10 30 ADEEMO C=CC[N@H+](C)[C@H](CC(C)C)C(=O)OC 586770047 346763780 /nfs/dbraw/zinc/76/37/80/346763780.db2.gz XXDFIAQXYAVLAH-SNVBAGLBSA-N 1 1 199.294 1.692 10 30 ADEEMO C=CCCC(=O)N[C@H]1CCC[N@H+](C)C1 588215329 346765675 /nfs/dbraw/zinc/76/56/75/346765675.db2.gz MGBQGVSGCKRHLR-JTQLQIEISA-N 1 1 196.294 1.163 10 30 ADEEMO C=CCCC(=O)N[C@@H]1CCC[N@H+](C)C1 588215330 346766064 /nfs/dbraw/zinc/76/60/64/346766064.db2.gz MGBQGVSGCKRHLR-SNVBAGLBSA-N 1 1 196.294 1.163 10 30 ADEEMO CCOC1CC([N@@H+](C)CCCC#N)C1 588215023 346766097 /nfs/dbraw/zinc/76/60/97/346766097.db2.gz IBVCIVVTTJJUKF-UHFFFAOYSA-N 1 1 196.294 1.789 10 30 ADEEMO C=CCCC(=O)NC[C@@H]1CCC[N@@H+]1C 588216696 346766091 /nfs/dbraw/zinc/76/60/91/346766091.db2.gz SRZFHCWBMGVITP-JTQLQIEISA-N 1 1 196.294 1.163 10 30 ADEEMO C[C@@H](CO)[N@@H+](C)CC(C)(C)CCC#N 589197286 346769336 /nfs/dbraw/zinc/76/93/36/346769336.db2.gz LJHPABUZGSFVOD-JTQLQIEISA-N 1 1 198.310 1.629 10 30 ADEEMO C=C(C)C[N@H+](C)CC(=O)NC(C)(C)C 589257005 346769504 /nfs/dbraw/zinc/76/95/04/346769504.db2.gz OMYXAJRGZYGGNJ-UHFFFAOYSA-N 1 1 198.310 1.409 10 30 ADEEMO CC[N@@H+](CC1(C#N)CC1)[C@@H]1CCOC1 589747923 346772841 /nfs/dbraw/zinc/77/28/41/346772841.db2.gz RWOXYAGKHVKLAY-SNVBAGLBSA-N 1 1 194.278 1.401 10 30 ADEEMO CC(C)[N@@H+](CCCC#N)[C@H]1CCOC1 589744562 346772514 /nfs/dbraw/zinc/77/25/14/346772514.db2.gz NAWHGSUJEHORNJ-NSHDSACASA-N 1 1 196.294 1.789 10 30 ADEEMO CC[N@H+](CC1(C#N)CC1)[C@H]1CCOC1 589747922 346772526 /nfs/dbraw/zinc/77/25/26/346772526.db2.gz RWOXYAGKHVKLAY-JTQLQIEISA-N 1 1 194.278 1.401 10 30 ADEEMO CC[N@@H+](CC1(C#N)CC1)[C@H]1CCOC1 589747922 346772529 /nfs/dbraw/zinc/77/25/29/346772529.db2.gz RWOXYAGKHVKLAY-JTQLQIEISA-N 1 1 194.278 1.401 10 30 ADEEMO CC(C)[N@@H+](CCCC#N)[C@@H]1CCOC1 589744560 346772740 /nfs/dbraw/zinc/77/27/40/346772740.db2.gz NAWHGSUJEHORNJ-LLVKDONJSA-N 1 1 196.294 1.789 10 30 ADEEMO CC[N@H+](CC1(C#N)CC1)[C@@H]1CCOC1 589747923 346772838 /nfs/dbraw/zinc/77/28/38/346772838.db2.gz RWOXYAGKHVKLAY-SNVBAGLBSA-N 1 1 194.278 1.401 10 30 ADEEMO C=CC[N@@H+](CCC#N)CC1(C)COC1 590002648 346774679 /nfs/dbraw/zinc/77/46/79/346774679.db2.gz DOLJJKMBFOULNV-UHFFFAOYSA-N 1 1 194.278 1.425 10 30 ADEEMO C=CC[N@H+](CCC#N)CC1(C)COC1 590002648 346774682 /nfs/dbraw/zinc/77/46/82/346774682.db2.gz DOLJJKMBFOULNV-UHFFFAOYSA-N 1 1 194.278 1.425 10 30 ADEEMO CC[C@H]1CC[N@@H+]1C[C@@H](C#N)CCC#N 590026464 346775258 /nfs/dbraw/zinc/77/52/58/346775258.db2.gz YUCBTZFDXSYNAP-MNOVXSKESA-N 1 1 191.278 1.914 10 30 ADEEMO CC[C@H]1CC[N@H+]1C[C@@H](C#N)CCC#N 590026464 346775262 /nfs/dbraw/zinc/77/52/62/346775262.db2.gz YUCBTZFDXSYNAP-MNOVXSKESA-N 1 1 191.278 1.914 10 30 ADEEMO C=CC[N@@H+](CCC#N)CCCOCC 590002910 346775449 /nfs/dbraw/zinc/77/54/49/346775449.db2.gz DGRYRTSCCSCHLV-UHFFFAOYSA-N 1 1 196.294 1.815 10 30 ADEEMO C=CC[N@H+](CCC#N)CCCOCC 590002910 346775450 /nfs/dbraw/zinc/77/54/50/346775450.db2.gz DGRYRTSCCSCHLV-UHFFFAOYSA-N 1 1 196.294 1.815 10 30 ADEEMO CC[C@H]1CC[N@@H+]1C[C@H](C#N)CCC#N 590026466 346775491 /nfs/dbraw/zinc/77/54/91/346775491.db2.gz YUCBTZFDXSYNAP-QWRGUYRKSA-N 1 1 191.278 1.914 10 30 ADEEMO CC[C@H]1CC[N@H+]1C[C@H](C#N)CCC#N 590026466 346775494 /nfs/dbraw/zinc/77/54/94/346775494.db2.gz YUCBTZFDXSYNAP-QWRGUYRKSA-N 1 1 191.278 1.914 10 30 ADEEMO CC[C@@H]1CC[N@@H+]1C[C@H](C#N)CCC#N 590026468 346775527 /nfs/dbraw/zinc/77/55/27/346775527.db2.gz YUCBTZFDXSYNAP-WDEREUQCSA-N 1 1 191.278 1.914 10 30 ADEEMO CC[C@@H]1CC[N@H+]1C[C@H](C#N)CCC#N 590026468 346775529 /nfs/dbraw/zinc/77/55/29/346775529.db2.gz YUCBTZFDXSYNAP-WDEREUQCSA-N 1 1 191.278 1.914 10 30 ADEEMO C=CC[N@@H+](CCC#N)C[C@@](C)(O)CC 590002922 346775540 /nfs/dbraw/zinc/77/55/40/346775540.db2.gz IGSVUADIXCKOAH-NSHDSACASA-N 1 1 196.294 1.549 10 30 ADEEMO C=CC[N@H+](CCC#N)C[C@@](C)(O)CC 590002922 346775542 /nfs/dbraw/zinc/77/55/42/346775542.db2.gz IGSVUADIXCKOAH-NSHDSACASA-N 1 1 196.294 1.549 10 30 ADEEMO C=CC[N@@H+](CCC#N)C[C@](C)(O)CC 590002920 346775608 /nfs/dbraw/zinc/77/56/08/346775608.db2.gz IGSVUADIXCKOAH-LLVKDONJSA-N 1 1 196.294 1.549 10 30 ADEEMO C=CC[N@H+](CCC#N)C[C@](C)(O)CC 590002920 346775609 /nfs/dbraw/zinc/77/56/09/346775609.db2.gz IGSVUADIXCKOAH-LLVKDONJSA-N 1 1 196.294 1.549 10 30 ADEEMO C=CC[N@@H+](CCC#N)CC1(O)CCC1 590002914 346775627 /nfs/dbraw/zinc/77/56/27/346775627.db2.gz FNXAQIQGEJGBOZ-UHFFFAOYSA-N 1 1 194.278 1.303 10 30 ADEEMO C=CC[N@H+](CCC#N)CC1(O)CCC1 590002914 346775630 /nfs/dbraw/zinc/77/56/30/346775630.db2.gz FNXAQIQGEJGBOZ-UHFFFAOYSA-N 1 1 194.278 1.303 10 30 ADEEMO CC[C@@H]1CC[N@@H+]1C[C@@H](C#N)CCC#N 590026461 346775710 /nfs/dbraw/zinc/77/57/10/346775710.db2.gz YUCBTZFDXSYNAP-GHMZBOCLSA-N 1 1 191.278 1.914 10 30 ADEEMO CC[C@@H]1CC[N@H+]1C[C@@H](C#N)CCC#N 590026461 346775713 /nfs/dbraw/zinc/77/57/13/346775713.db2.gz YUCBTZFDXSYNAP-GHMZBOCLSA-N 1 1 191.278 1.914 10 30 ADEEMO C=CC[N@@H+](CCC#N)C[C@H](C)COC 590050745 346776037 /nfs/dbraw/zinc/77/60/37/346776037.db2.gz YVYXCHPHEWUWGA-NSHDSACASA-N 1 1 196.294 1.671 10 30 ADEEMO C=CC[N@H+](CCC#N)C[C@H](C)COC 590050745 346776040 /nfs/dbraw/zinc/77/60/40/346776040.db2.gz YVYXCHPHEWUWGA-NSHDSACASA-N 1 1 196.294 1.671 10 30 ADEEMO C=CC[N@@H+](CCC#N)C[C@@H](C)COC 590050744 346776506 /nfs/dbraw/zinc/77/65/06/346776506.db2.gz YVYXCHPHEWUWGA-LLVKDONJSA-N 1 1 196.294 1.671 10 30 ADEEMO C=CC[N@H+](CCC#N)C[C@@H](C)COC 590050744 346776511 /nfs/dbraw/zinc/77/65/11/346776511.db2.gz YVYXCHPHEWUWGA-LLVKDONJSA-N 1 1 196.294 1.671 10 30 ADEEMO CC[C@@](C)(O)C[N@@H+](C)CC(C)(C)C#N 590123488 346776911 /nfs/dbraw/zinc/77/69/11/346776911.db2.gz SZKLCOYESORUQJ-LLVKDONJSA-N 1 1 198.310 1.629 10 30 ADEEMO C=C(C)[C@H](CO)[N@H+](C)CC(C)(C)C#N 590123657 346776930 /nfs/dbraw/zinc/77/69/30/346776930.db2.gz CDGZPBFINGNEPY-JTQLQIEISA-N 1 1 196.294 1.405 10 30 ADEEMO C=C(C)[C@H](CO)[N@@H+](C)CC(C)(C)C#N 590123657 346776932 /nfs/dbraw/zinc/77/69/32/346776932.db2.gz CDGZPBFINGNEPY-JTQLQIEISA-N 1 1 196.294 1.405 10 30 ADEEMO C=C(C)[C@@H](CO)[N@H+](C)CC(C)(C)C#N 590123658 346776943 /nfs/dbraw/zinc/77/69/43/346776943.db2.gz CDGZPBFINGNEPY-SNVBAGLBSA-N 1 1 196.294 1.405 10 30 ADEEMO C=C(C)[C@@H](CO)[N@@H+](C)CC(C)(C)C#N 590123658 346776944 /nfs/dbraw/zinc/77/69/44/346776944.db2.gz CDGZPBFINGNEPY-SNVBAGLBSA-N 1 1 196.294 1.405 10 30 ADEEMO CC[C@](C)(O)C[N@@H+](C)CC(C)(C)C#N 590123490 346777014 /nfs/dbraw/zinc/77/70/14/346777014.db2.gz SZKLCOYESORUQJ-NSHDSACASA-N 1 1 198.310 1.629 10 30 ADEEMO CCOCC[N@@H+](C)[C@H]1CC[C@@H](C#N)C1 590170181 346777998 /nfs/dbraw/zinc/77/79/98/346777998.db2.gz DYPJIRKDDRAOBU-MNOVXSKESA-N 1 1 196.294 1.647 10 30 ADEEMO C=CCCC[N@H+](C)CCOCCC#N 590161800 346778039 /nfs/dbraw/zinc/77/80/39/346778039.db2.gz YTVQPHFDLNJNAZ-UHFFFAOYSA-N 1 1 196.294 1.815 10 30 ADEEMO C[N@@H+](CCCCO)[C@H]1CC[C@@H](C#N)C1 590176903 346778086 /nfs/dbraw/zinc/77/80/86/346778086.db2.gz FMHYORLWZNMCNH-MNOVXSKESA-N 1 1 196.294 1.383 10 30 ADEEMO CCOCC[N@@H+](C)[C@H]1CC[C@H](C#N)C1 590170183 346778110 /nfs/dbraw/zinc/77/81/10/346778110.db2.gz DYPJIRKDDRAOBU-QWRGUYRKSA-N 1 1 196.294 1.647 10 30 ADEEMO CCOCC[N@@H+](C)[C@@H]1CC[C@H](C#N)C1 590170184 346778403 /nfs/dbraw/zinc/77/84/03/346778403.db2.gz DYPJIRKDDRAOBU-WDEREUQCSA-N 1 1 196.294 1.647 10 30 ADEEMO C[N@@H+](CCCCO)[C@@H]1CC[C@@H](C#N)C1 590176902 346778421 /nfs/dbraw/zinc/77/84/21/346778421.db2.gz FMHYORLWZNMCNH-GHMZBOCLSA-N 1 1 196.294 1.383 10 30 ADEEMO C[N@@H+](CCCCO)[C@@H]1CC[C@H](C#N)C1 590176905 346778591 /nfs/dbraw/zinc/77/85/91/346778591.db2.gz FMHYORLWZNMCNH-WDEREUQCSA-N 1 1 196.294 1.383 10 30 ADEEMO C[N@@H+](CCCCO)[C@H]1CC[C@H](C#N)C1 590176904 346778647 /nfs/dbraw/zinc/77/86/47/346778647.db2.gz FMHYORLWZNMCNH-QWRGUYRKSA-N 1 1 196.294 1.383 10 30 ADEEMO C[C@H]1C[N@H+]([C@H]2CC[C@@H](C#N)C2)CCO1 590197499 346778863 /nfs/dbraw/zinc/77/88/63/346778863.db2.gz CKPYBILVIPJVAH-AXFHLTTASA-N 1 1 194.278 1.399 10 30 ADEEMO C[C@H]1[C@H](C)C[N@@H+]1C[C@H](C#N)CCC#N 590196117 346779037 /nfs/dbraw/zinc/77/90/37/346779037.db2.gz JUTGQMVXCXRGTM-VWYCJHECSA-N 1 1 191.278 1.770 10 30 ADEEMO C[C@H]1[C@H](C)C[N@H+]1C[C@H](C#N)CCC#N 590196117 346779041 /nfs/dbraw/zinc/77/90/41/346779041.db2.gz JUTGQMVXCXRGTM-VWYCJHECSA-N 1 1 191.278 1.770 10 30 ADEEMO C[C@@H]1C[N@H+](C[C@H](C#N)CCC#N)[C@@H]1C 590196115 346779124 /nfs/dbraw/zinc/77/91/24/346779124.db2.gz JUTGQMVXCXRGTM-MXWKQRLJSA-N 1 1 191.278 1.770 10 30 ADEEMO C[C@@H]1C[N@@H+](C[C@H](C#N)CCC#N)[C@@H]1C 590196115 346779127 /nfs/dbraw/zinc/77/91/27/346779127.db2.gz JUTGQMVXCXRGTM-MXWKQRLJSA-N 1 1 191.278 1.770 10 30 ADEEMO C[C@H]1C[N@H+]([C@H]2CC[C@H](C#N)C2)CCO1 590197501 346779281 /nfs/dbraw/zinc/77/92/81/346779281.db2.gz CKPYBILVIPJVAH-DCAQKATOSA-N 1 1 194.278 1.399 10 30 ADEEMO C[C@H]1[C@H](C)C[N@@H+]1C[C@@H](C#N)CCC#N 590196116 346779332 /nfs/dbraw/zinc/77/93/32/346779332.db2.gz JUTGQMVXCXRGTM-OUAUKWLOSA-N 1 1 191.278 1.770 10 30 ADEEMO C[C@H]1[C@H](C)C[N@H+]1C[C@@H](C#N)CCC#N 590196116 346779333 /nfs/dbraw/zinc/77/93/33/346779333.db2.gz JUTGQMVXCXRGTM-OUAUKWLOSA-N 1 1 191.278 1.770 10 30 ADEEMO C[C@H]1C[N@H+]([C@@H]2CC[C@@H](C#N)C2)CCO1 590197504 346779348 /nfs/dbraw/zinc/77/93/48/346779348.db2.gz CKPYBILVIPJVAH-HBNTYKKESA-N 1 1 194.278 1.399 10 30 ADEEMO C=CCOCC[N@@H+](C)CC(C)(C)C#N 590184501 346779402 /nfs/dbraw/zinc/77/94/02/346779402.db2.gz DANTUWXYVVFLEE-UHFFFAOYSA-N 1 1 196.294 1.671 10 30 ADEEMO C=CCOCC[N@H+](C)CC(C)(C)C#N 590184501 346779403 /nfs/dbraw/zinc/77/94/03/346779403.db2.gz DANTUWXYVVFLEE-UHFFFAOYSA-N 1 1 196.294 1.671 10 30 ADEEMO C[C@@H]1C[N@H+](C[C@@H](C#N)CCC#N)[C@@H]1C 590196114 346779445 /nfs/dbraw/zinc/77/94/45/346779445.db2.gz JUTGQMVXCXRGTM-GMTAPVOTSA-N 1 1 191.278 1.770 10 30 ADEEMO C[C@@H]1C[N@@H+](C[C@@H](C#N)CCC#N)[C@@H]1C 590196114 346779447 /nfs/dbraw/zinc/77/94/47/346779447.db2.gz JUTGQMVXCXRGTM-GMTAPVOTSA-N 1 1 191.278 1.770 10 30 ADEEMO C[C@H]1C[N@H+]([C@@H]2CC[C@H](C#N)C2)CCO1 590197503 346779456 /nfs/dbraw/zinc/77/94/56/346779456.db2.gz CKPYBILVIPJVAH-GARJFASQSA-N 1 1 194.278 1.399 10 30 ADEEMO CC[C@H]1C[N@@H+](C)CCN1CCCC#N 590599601 346783657 /nfs/dbraw/zinc/78/36/57/346783657.db2.gz CLLTXMBHYLXKBB-NSHDSACASA-N 1 1 195.310 1.316 10 30 ADEEMO CC[C@H]1CN(C)CC[N@@H+]1CCCC#N 590599601 346783661 /nfs/dbraw/zinc/78/36/61/346783661.db2.gz CLLTXMBHYLXKBB-NSHDSACASA-N 1 1 195.310 1.316 10 30 ADEEMO CC[C@H]1CN(C)CC[N@H+]1CCCC#N 590599601 346783664 /nfs/dbraw/zinc/78/36/64/346783664.db2.gz CLLTXMBHYLXKBB-NSHDSACASA-N 1 1 195.310 1.316 10 30 ADEEMO CC[C@@H]1C[N@@H+](C)CCN1CCCC#N 590599587 346783855 /nfs/dbraw/zinc/78/38/55/346783855.db2.gz CLLTXMBHYLXKBB-LLVKDONJSA-N 1 1 195.310 1.316 10 30 ADEEMO CC[C@@H]1CN(C)CC[N@@H+]1CCCC#N 590599587 346783858 /nfs/dbraw/zinc/78/38/58/346783858.db2.gz CLLTXMBHYLXKBB-LLVKDONJSA-N 1 1 195.310 1.316 10 30 ADEEMO CC[C@@H]1CN(C)CC[N@H+]1CCCC#N 590599587 346783861 /nfs/dbraw/zinc/78/38/61/346783861.db2.gz CLLTXMBHYLXKBB-LLVKDONJSA-N 1 1 195.310 1.316 10 30 ADEEMO CC#CCC[N@@H+]1CC[C@@H](SC)C1 590612547 346784424 /nfs/dbraw/zinc/78/44/24/346784424.db2.gz FSSYTTCNEJQNSQ-SNVBAGLBSA-N 1 1 183.320 1.837 10 30 ADEEMO COCC#CC[N@H+]1CC[C@@H](SC)C1 590612533 346784450 /nfs/dbraw/zinc/78/44/50/346784450.db2.gz BQZVDYZNEKNCKE-SNVBAGLBSA-N 1 1 199.319 1.074 10 30 ADEEMO CC#CCC[N@@H+]1CC[C@H](SC)C1 590612546 346784584 /nfs/dbraw/zinc/78/45/84/346784584.db2.gz FSSYTTCNEJQNSQ-JTQLQIEISA-N 1 1 183.320 1.837 10 30 ADEEMO COCC#CC[N@H+]1CC[C@H](SC)C1 590612532 346784725 /nfs/dbraw/zinc/78/47/25/346784725.db2.gz BQZVDYZNEKNCKE-JTQLQIEISA-N 1 1 199.319 1.074 10 30 ADEEMO C=CCNC(=O)C[N@@H+]1CCCC1(C)C 590605836 346784787 /nfs/dbraw/zinc/78/47/87/346784787.db2.gz GJIJEHXBWYZAEE-UHFFFAOYSA-N 1 1 196.294 1.163 10 30 ADEEMO C=C(C)[C@H](CO)[N@@H+](C)C[C@H](C)C#N 590690586 346787740 /nfs/dbraw/zinc/78/77/40/346787740.db2.gz GTTVNIGOSAREPC-ZJUUUORDSA-N 1 1 182.267 1.015 10 30 ADEEMO C=C(C)[C@H](CO)[N@H+](C)C[C@H](C)C#N 590690586 346787745 /nfs/dbraw/zinc/78/77/45/346787745.db2.gz GTTVNIGOSAREPC-ZJUUUORDSA-N 1 1 182.267 1.015 10 30 ADEEMO C=C(C)[C@@H](CO)[N@@H+](C)C[C@@H](C)C#N 590690585 346787913 /nfs/dbraw/zinc/78/79/13/346787913.db2.gz GTTVNIGOSAREPC-VHSXEESVSA-N 1 1 182.267 1.015 10 30 ADEEMO C=C(C)[C@@H](CO)[N@H+](C)C[C@@H](C)C#N 590690585 346787918 /nfs/dbraw/zinc/78/79/18/346787918.db2.gz GTTVNIGOSAREPC-VHSXEESVSA-N 1 1 182.267 1.015 10 30 ADEEMO C=C(C)[C@@H](CO)[N@@H+](C)C[C@H](C)C#N 590690583 346788050 /nfs/dbraw/zinc/78/80/50/346788050.db2.gz GTTVNIGOSAREPC-NXEZZACHSA-N 1 1 182.267 1.015 10 30 ADEEMO C=C(C)[C@@H](CO)[N@H+](C)C[C@H](C)C#N 590690583 346788052 /nfs/dbraw/zinc/78/80/52/346788052.db2.gz GTTVNIGOSAREPC-NXEZZACHSA-N 1 1 182.267 1.015 10 30 ADEEMO C=C(C)[C@H](CO)[N@@H+](C)C[C@@H](C)C#N 590690584 346788230 /nfs/dbraw/zinc/78/82/30/346788230.db2.gz GTTVNIGOSAREPC-UWVGGRQHSA-N 1 1 182.267 1.015 10 30 ADEEMO C=C(C)[C@H](CO)[N@H+](C)C[C@@H](C)C#N 590690584 346788232 /nfs/dbraw/zinc/78/82/32/346788232.db2.gz GTTVNIGOSAREPC-UWVGGRQHSA-N 1 1 182.267 1.015 10 30 ADEEMO C[C@H](O)CC[N@H+](C[C@@H](C)C#N)C1CC1 590709636 346788787 /nfs/dbraw/zinc/78/87/87/346788787.db2.gz QWRGEERDXKSPAS-UWVGGRQHSA-N 1 1 196.294 1.381 10 30 ADEEMO C[C@H](O)CC[N@@H+](C[C@@H](C)C#N)C1CC1 590709636 346788790 /nfs/dbraw/zinc/78/87/90/346788790.db2.gz QWRGEERDXKSPAS-UWVGGRQHSA-N 1 1 196.294 1.381 10 30 ADEEMO C[C@@H](O)CC[N@H+](C[C@@H](C)C#N)C1CC1 590709637 346788865 /nfs/dbraw/zinc/78/88/65/346788865.db2.gz QWRGEERDXKSPAS-VHSXEESVSA-N 1 1 196.294 1.381 10 30 ADEEMO C[C@@H](O)CC[N@@H+](C[C@@H](C)C#N)C1CC1 590709637 346788866 /nfs/dbraw/zinc/78/88/66/346788866.db2.gz QWRGEERDXKSPAS-VHSXEESVSA-N 1 1 196.294 1.381 10 30 ADEEMO C=CC[N@H+](C)CC1(C(=O)OC)CC1 590719138 346788899 /nfs/dbraw/zinc/78/88/99/346788899.db2.gz CKUCHDCTRCKUTG-UHFFFAOYSA-N 1 1 183.251 1.057 10 30 ADEEMO C[C@H](O)CC[N@H+](C[C@H](C)C#N)C1CC1 590709638 346788907 /nfs/dbraw/zinc/78/89/07/346788907.db2.gz QWRGEERDXKSPAS-ZJUUUORDSA-N 1 1 196.294 1.381 10 30 ADEEMO C[C@H](O)CC[N@@H+](C[C@H](C)C#N)C1CC1 590709638 346788910 /nfs/dbraw/zinc/78/89/10/346788910.db2.gz QWRGEERDXKSPAS-ZJUUUORDSA-N 1 1 196.294 1.381 10 30 ADEEMO C[C@H](C#N)C[N@@H+](CC[C@@H](C)O)C1CC1 590709635 346789025 /nfs/dbraw/zinc/78/90/25/346789025.db2.gz QWRGEERDXKSPAS-NXEZZACHSA-N 1 1 196.294 1.381 10 30 ADEEMO C[C@H](C#N)C[N@H+](CC[C@@H](C)O)C1CC1 590709635 346789028 /nfs/dbraw/zinc/78/90/28/346789028.db2.gz QWRGEERDXKSPAS-NXEZZACHSA-N 1 1 196.294 1.381 10 30 ADEEMO C=CCC[N@H+](C)CC1(C(=O)OC)CC1 590724036 346789688 /nfs/dbraw/zinc/78/96/88/346789688.db2.gz SBWGYBBQUYGIFD-UHFFFAOYSA-N 1 1 197.278 1.448 10 30 ADEEMO C=CCCCC[N@H+](C)[C@@H](C)C(=O)OC 590734821 346791055 /nfs/dbraw/zinc/79/10/55/346791055.db2.gz BDZBRAMOEDWIOI-JTQLQIEISA-N 1 1 199.294 1.836 10 30 ADEEMO C=CCCCC[N@H+](C)[C@H](C)C(=O)OC 590734823 346791070 /nfs/dbraw/zinc/79/10/70/346791070.db2.gz BDZBRAMOEDWIOI-SNVBAGLBSA-N 1 1 199.294 1.836 10 30 ADEEMO N#CCCCC[N@@H+]1CC[C@@H](F)C1 590755666 346792763 /nfs/dbraw/zinc/79/27/63/346792763.db2.gz GYKVGRSTDGVPCF-SECBINFHSA-N 1 1 170.231 1.724 10 30 ADEEMO C=CCC[N@@H+]1CC[C@@H](SC)C1 590749940 346792976 /nfs/dbraw/zinc/79/29/76/346792976.db2.gz IASBNVQYGPJUGE-SECBINFHSA-N 1 1 171.309 2.000 10 30 ADEEMO N#CCCCC[N@@H+]1CC[C@H](F)C1 590755498 346793220 /nfs/dbraw/zinc/79/32/20/346793220.db2.gz GYKVGRSTDGVPCF-VIFPVBQESA-N 1 1 170.231 1.724 10 30 ADEEMO C=CCC[N@@H+]1CC[C@H](SC)C1 590749942 346793345 /nfs/dbraw/zinc/79/33/45/346793345.db2.gz IASBNVQYGPJUGE-VIFPVBQESA-N 1 1 171.309 2.000 10 30 ADEEMO COC[C@@H]1CCC[N@@H+](CCC#N)CC1 590765466 346793863 /nfs/dbraw/zinc/79/38/63/346793863.db2.gz REOSPVRTBWVSHU-LLVKDONJSA-N 1 1 196.294 1.649 10 30 ADEEMO COC[C@H]1CCC[N@@H+](CCC#N)CC1 590765467 346793981 /nfs/dbraw/zinc/79/39/81/346793981.db2.gz REOSPVRTBWVSHU-NSHDSACASA-N 1 1 196.294 1.649 10 30 ADEEMO C[C@@H]1[C@@H](O)CC[N@H+]1CCC(C)(C)C#N 590759193 346794040 /nfs/dbraw/zinc/79/40/40/346794040.db2.gz USMKRRUXFFIGJX-ZJUUUORDSA-N 1 1 196.294 1.381 10 30 ADEEMO C=C(C)C[N@H+]1CCCC[C@@H]1CC(N)=O 590840256 346795843 /nfs/dbraw/zinc/79/58/43/346795843.db2.gz VSUSAGWLEUYODL-SNVBAGLBSA-N 1 1 196.294 1.292 10 30 ADEEMO C=C(C)C[N@H+]1CCCC[C@H]1CC(N)=O 590840255 346795850 /nfs/dbraw/zinc/79/58/50/346795850.db2.gz VSUSAGWLEUYODL-JTQLQIEISA-N 1 1 196.294 1.292 10 30 ADEEMO N#CCCCC[N@H+]1C[C@@H]2C[C@H]1CS2 590972703 346798710 /nfs/dbraw/zinc/79/87/10/346798710.db2.gz IFDXKVDKYMZLRW-UWVGGRQHSA-N 1 1 196.319 1.870 10 30 ADEEMO C[C@@H](CCC#N)[N@H+]1C[C@@H]2CC[C@H](C1)O2 591015604 346800446 /nfs/dbraw/zinc/80/04/46/346800446.db2.gz KXWLPVGQNARSMY-GARJFASQSA-N 1 1 194.278 1.542 10 30 ADEEMO C[C@H](CCC#N)[N@H+]1C[C@@H]2CC[C@H](C1)O2 591015605 346800791 /nfs/dbraw/zinc/80/07/91/346800791.db2.gz KXWLPVGQNARSMY-MXWKQRLJSA-N 1 1 194.278 1.542 10 30 ADEEMO C[C@@H](CCC#N)[N@@H+](C)C[C@@H]1CCCO1 591028782 346801234 /nfs/dbraw/zinc/80/12/34/346801234.db2.gz GFUPKJFKOIEFTN-QWRGUYRKSA-N 1 1 196.294 1.789 10 30 ADEEMO C[C@@H](CCC#N)[N@@H+](C)C[C@H]1CCCO1 591028145 346801314 /nfs/dbraw/zinc/80/13/14/346801314.db2.gz GFUPKJFKOIEFTN-WDEREUQCSA-N 1 1 196.294 1.789 10 30 ADEEMO C=CC[N@H+](C)[C@@H](C)CCC#N 591030148 346801339 /nfs/dbraw/zinc/80/13/39/346801339.db2.gz CXLSWSWGFAIYRZ-VIFPVBQESA-N 1 1 152.241 1.796 10 30 ADEEMO CCOCC[N@@H+](C)[C@H](C)CCC#N 591022842 346801414 /nfs/dbraw/zinc/80/14/14/346801414.db2.gz HRHGJJKTOOBHDZ-SNVBAGLBSA-N 1 1 184.283 1.647 10 30 ADEEMO C=CC[N@H+](C)[C@H](C)CCC#N 591030147 346801462 /nfs/dbraw/zinc/80/14/62/346801462.db2.gz CXLSWSWGFAIYRZ-SECBINFHSA-N 1 1 152.241 1.796 10 30 ADEEMO C[C@@H](CCC#N)[N@@H+]1CC=CCC1 591025443 346801489 /nfs/dbraw/zinc/80/14/89/346801489.db2.gz GSFUOZQAHVPDQV-JTQLQIEISA-N 1 1 164.252 1.941 10 30 ADEEMO C[C@@H](CCC#N)[N@@H+](C)CC1(CO)CC1 591031353 346801501 /nfs/dbraw/zinc/80/15/01/346801501.db2.gz YKIBOAIUEDUOCM-JTQLQIEISA-N 1 1 196.294 1.383 10 30 ADEEMO C[C@H](CCC#N)[N@@H+](C)C[C@H]1CCCO1 591028144 346801511 /nfs/dbraw/zinc/80/15/11/346801511.db2.gz GFUPKJFKOIEFTN-GHMZBOCLSA-N 1 1 196.294 1.789 10 30 ADEEMO CC(C)C[C@H](CO)[N@H+](C)CCC#N 591029286 346801563 /nfs/dbraw/zinc/80/15/63/346801563.db2.gz XUAXGAYRYVDMEC-SNVBAGLBSA-N 1 1 184.283 1.239 10 30 ADEEMO CC(C)C[C@H](CO)[N@@H+](C)CCC#N 591029286 346801565 /nfs/dbraw/zinc/80/15/65/346801565.db2.gz XUAXGAYRYVDMEC-SNVBAGLBSA-N 1 1 184.283 1.239 10 30 ADEEMO C[C@H](CCC#N)[N@@H+](C)C[C@@H]1CCCO1 591028781 346801583 /nfs/dbraw/zinc/80/15/83/346801583.db2.gz GFUPKJFKOIEFTN-MNOVXSKESA-N 1 1 196.294 1.789 10 30 ADEEMO C[C@H](CCC#N)[N@@H+](C)CC1(CO)CC1 591031354 346801590 /nfs/dbraw/zinc/80/15/90/346801590.db2.gz YKIBOAIUEDUOCM-SNVBAGLBSA-N 1 1 196.294 1.383 10 30 ADEEMO C[C@H](CCC#N)[N@@H+]1CC=CCC1 591025445 346801638 /nfs/dbraw/zinc/80/16/38/346801638.db2.gz GSFUOZQAHVPDQV-SNVBAGLBSA-N 1 1 164.252 1.941 10 30 ADEEMO CC(C)C[C@@H](CO)[N@H+](C)CCC#N 591029285 346801653 /nfs/dbraw/zinc/80/16/53/346801653.db2.gz XUAXGAYRYVDMEC-JTQLQIEISA-N 1 1 184.283 1.239 10 30 ADEEMO CC(C)C[C@@H](CO)[N@@H+](C)CCC#N 591029285 346801656 /nfs/dbraw/zinc/80/16/56/346801656.db2.gz XUAXGAYRYVDMEC-JTQLQIEISA-N 1 1 184.283 1.239 10 30 ADEEMO CCOCC[N@@H+](C)[C@@H](C)CCC#N 591022841 346801684 /nfs/dbraw/zinc/80/16/84/346801684.db2.gz HRHGJJKTOOBHDZ-JTQLQIEISA-N 1 1 184.283 1.647 10 30 ADEEMO C[C@@H](CCC#N)[N@@H+](CCO)CC1CC1 591037415 346802007 /nfs/dbraw/zinc/80/20/07/346802007.db2.gz MIXARFGZYVNMHG-JTQLQIEISA-N 1 1 196.294 1.383 10 30 ADEEMO C[C@H](CCC#N)[N@@H+](CCO)CC1CC1 591037416 346802354 /nfs/dbraw/zinc/80/23/54/346802354.db2.gz MIXARFGZYVNMHG-SNVBAGLBSA-N 1 1 196.294 1.383 10 30 ADEEMO N#CC1(C[NH2+]C2CSC2)CCC1 591357611 346811604 /nfs/dbraw/zinc/81/16/04/346811604.db2.gz CVWIXFNYZVPUQA-UHFFFAOYSA-N 1 1 182.292 1.385 10 30 ADEEMO N#CC1(C[NH2+]CC2(F)CC2)CCC1 591357643 346811818 /nfs/dbraw/zinc/81/18/18/346811818.db2.gz UJZKNCAQIDIRGO-UHFFFAOYSA-N 1 1 182.242 1.772 10 30 ADEEMO N#C[C@H]1CC[C@@H](N[C@@H]2CCC[C@@H]2[NH3+])C1 591687906 346818715 /nfs/dbraw/zinc/81/87/15/346818715.db2.gz BSNWJRYGHWFIKY-ZRUFSTJUSA-N 1 1 193.294 1.148 10 30 ADEEMO N#C[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@@H]2N)C1 591687906 346818719 /nfs/dbraw/zinc/81/87/19/346818719.db2.gz BSNWJRYGHWFIKY-ZRUFSTJUSA-N 1 1 193.294 1.148 10 30 ADEEMO N#C[C@H]1CC[C@@H](N[C@H]2CCC[C@H]2[NH3+])C1 591687905 346818782 /nfs/dbraw/zinc/81/87/82/346818782.db2.gz BSNWJRYGHWFIKY-ZDCRXTMVSA-N 1 1 193.294 1.148 10 30 ADEEMO N#C[C@H]1CC[C@@H]([NH2+][C@H]2CCC[C@H]2N)C1 591687905 346818786 /nfs/dbraw/zinc/81/87/86/346818786.db2.gz BSNWJRYGHWFIKY-ZDCRXTMVSA-N 1 1 193.294 1.148 10 30 ADEEMO N#C[C@H]1CC[C@@H](N[C@H]2CCC[C@@H]2[NH3+])C1 591687904 346818938 /nfs/dbraw/zinc/81/89/38/346818938.db2.gz BSNWJRYGHWFIKY-VLEAKVRGSA-N 1 1 193.294 1.148 10 30 ADEEMO N#C[C@H]1CC[C@@H]([NH2+][C@H]2CCC[C@@H]2N)C1 591687904 346818943 /nfs/dbraw/zinc/81/89/43/346818943.db2.gz BSNWJRYGHWFIKY-VLEAKVRGSA-N 1 1 193.294 1.148 10 30 ADEEMO N#C[C@H]1CC[C@@H](N[C@@H]2CCC[C@H]2[NH3+])C1 591687903 346819148 /nfs/dbraw/zinc/81/91/48/346819148.db2.gz BSNWJRYGHWFIKY-LNFKQOIKSA-N 1 1 193.294 1.148 10 30 ADEEMO N#C[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@H]2N)C1 591687903 346819149 /nfs/dbraw/zinc/81/91/49/346819149.db2.gz BSNWJRYGHWFIKY-LNFKQOIKSA-N 1 1 193.294 1.148 10 30 ADEEMO N#CCC[NH2+]CC1(C(F)(F)F)CC1 591766536 346820964 /nfs/dbraw/zinc/82/09/64/346820964.db2.gz DJUOMKBKRZWEOA-UHFFFAOYSA-N 1 1 192.184 1.832 10 30 ADEEMO CC#CCSC[C@H]1C[N@@H+](C)CCO1 592359004 346829915 /nfs/dbraw/zinc/82/99/15/346829915.db2.gz JATBCOCFYQQXNQ-SNVBAGLBSA-N 1 1 199.319 1.074 10 30 ADEEMO C=CCSC[C@H]1C[N@H+](C)CCO1 592360018 346829628 /nfs/dbraw/zinc/82/96/28/346829628.db2.gz HDYJXDDTRUWWQU-SECBINFHSA-N 1 1 187.308 1.236 10 30 ADEEMO C=CCSC[C@H]1C[N@@H+](C)CCO1 592360018 346829630 /nfs/dbraw/zinc/82/96/30/346829630.db2.gz HDYJXDDTRUWWQU-SECBINFHSA-N 1 1 187.308 1.236 10 30 ADEEMO CC#CCSC[C@@H]1C[N@H+](C)CCO1 592359003 346829735 /nfs/dbraw/zinc/82/97/35/346829735.db2.gz JATBCOCFYQQXNQ-JTQLQIEISA-N 1 1 199.319 1.074 10 30 ADEEMO CC#CCSC[C@@H]1C[N@@H+](C)CCO1 592359003 346829738 /nfs/dbraw/zinc/82/97/38/346829738.db2.gz JATBCOCFYQQXNQ-JTQLQIEISA-N 1 1 199.319 1.074 10 30 ADEEMO C=CCSC[C@@H]1C[N@H+](C)CCO1 592360019 346829882 /nfs/dbraw/zinc/82/98/82/346829882.db2.gz HDYJXDDTRUWWQU-VIFPVBQESA-N 1 1 187.308 1.236 10 30 ADEEMO C=CCSC[C@@H]1C[N@@H+](C)CCO1 592360019 346829885 /nfs/dbraw/zinc/82/98/85/346829885.db2.gz HDYJXDDTRUWWQU-VIFPVBQESA-N 1 1 187.308 1.236 10 30 ADEEMO CC#CCSC[C@H]1C[N@H+](C)CCO1 592359004 346829913 /nfs/dbraw/zinc/82/99/13/346829913.db2.gz JATBCOCFYQQXNQ-SNVBAGLBSA-N 1 1 199.319 1.074 10 30 ADEEMO C[C@@H](CCC#N)[N@H+]1CC[C@@H](CCO)C1 593014743 346834776 /nfs/dbraw/zinc/83/47/76/346834776.db2.gz PYKYUNWZORDBFB-QWRGUYRKSA-N 1 1 196.294 1.383 10 30 ADEEMO C[C@H](CCC#N)[N@H+]1CC[C@H](CCO)C1 593014741 346834800 /nfs/dbraw/zinc/83/48/00/346834800.db2.gz PYKYUNWZORDBFB-GHMZBOCLSA-N 1 1 196.294 1.383 10 30 ADEEMO C[N@H+]1CCC[C@H]1CN(CC#N)C1CC1 593011164 346835152 /nfs/dbraw/zinc/83/51/52/346835152.db2.gz XTARBIKECFHNDU-NSHDSACASA-N 1 1 193.294 1.069 10 30 ADEEMO N#CCC[N@H+]1CCC12CCCC2 593000771 346835185 /nfs/dbraw/zinc/83/51/85/346835185.db2.gz UELSRBWWZCEPTE-UHFFFAOYSA-N 1 1 164.252 1.919 10 30 ADEEMO C[C@H](CCC#N)[N@H+]1CC[C@@H](CCO)C1 593014742 346835217 /nfs/dbraw/zinc/83/52/17/346835217.db2.gz PYKYUNWZORDBFB-MNOVXSKESA-N 1 1 196.294 1.383 10 30 ADEEMO C[C@@H](CCC#N)[N@H+]1CC[C@H](CCO)C1 593014744 346835266 /nfs/dbraw/zinc/83/52/66/346835266.db2.gz PYKYUNWZORDBFB-WDEREUQCSA-N 1 1 196.294 1.383 10 30 ADEEMO N#CCC[NH+]1CCC(C2(O)CC2)CC1 593052438 346835791 /nfs/dbraw/zinc/83/57/91/346835791.db2.gz SNCWOWVHPQABSD-UHFFFAOYSA-N 1 1 194.278 1.137 10 30 ADEEMO C[C@@H](CCC#N)[N@@H+](C)CCCCO 593025373 346836248 /nfs/dbraw/zinc/83/62/48/346836248.db2.gz REQIAUPNZQVKND-JTQLQIEISA-N 1 1 184.283 1.383 10 30 ADEEMO C[C@H](CCC#N)[N@@H+](C)CCCCO 593025374 346836320 /nfs/dbraw/zinc/83/63/20/346836320.db2.gz REQIAUPNZQVKND-SNVBAGLBSA-N 1 1 184.283 1.383 10 30 ADEEMO C=CCCC[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O 593097692 346836823 /nfs/dbraw/zinc/83/68/23/346836823.db2.gz PIQALBNREGDFFP-OUJBWJOFSA-N 1 1 199.319 1.158 10 30 ADEEMO C=CCCC[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O 593097693 346836844 /nfs/dbraw/zinc/83/68/44/346836844.db2.gz PIQALBNREGDFFP-KWBADKCTSA-N 1 1 199.319 1.158 10 30 ADEEMO C=C(CC)C[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O 593100025 346836944 /nfs/dbraw/zinc/83/69/44/346836944.db2.gz MBDKEJMHQPPRDE-KWBADKCTSA-N 1 1 199.319 1.158 10 30 ADEEMO C=C(CC)C[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O 593100023 346837006 /nfs/dbraw/zinc/83/70/06/346837006.db2.gz MBDKEJMHQPPRDE-OUJBWJOFSA-N 1 1 199.319 1.158 10 30 ADEEMO C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O 593102470 346837286 /nfs/dbraw/zinc/83/72/86/346837286.db2.gz XERBAPXFMYXFLT-KWBADKCTSA-N 1 1 199.319 1.158 10 30 ADEEMO C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O 593102468 346837557 /nfs/dbraw/zinc/83/75/57/346837557.db2.gz XERBAPXFMYXFLT-OUJBWJOFSA-N 1 1 199.319 1.158 10 30 ADEEMO N#CCC[N@H+]1CC[C@]2(C1)CC2(F)F 593116603 346837956 /nfs/dbraw/zinc/83/79/56/346837956.db2.gz MWUJEJNDFWBRFW-MRVPVSSYSA-N 1 1 186.205 1.631 10 30 ADEEMO N#CCC[N@@H+]1CC[C@]2(C1)CC2(F)F 593116603 346837960 /nfs/dbraw/zinc/83/79/60/346837960.db2.gz MWUJEJNDFWBRFW-MRVPVSSYSA-N 1 1 186.205 1.631 10 30 ADEEMO N#CCC[N@H+]1CC[C@@]2(C1)CC2(F)F 593116606 346838165 /nfs/dbraw/zinc/83/81/65/346838165.db2.gz MWUJEJNDFWBRFW-QMMMGPOBSA-N 1 1 186.205 1.631 10 30 ADEEMO N#CCC[N@@H+]1CC[C@@]2(C1)CC2(F)F 593116606 346838168 /nfs/dbraw/zinc/83/81/68/346838168.db2.gz MWUJEJNDFWBRFW-QMMMGPOBSA-N 1 1 186.205 1.631 10 30 ADEEMO N#Cc1ccc(C[N@H+]2CC=CCC2)nc1 593971779 346843329 /nfs/dbraw/zinc/84/33/29/346843329.db2.gz GPARGXVUIJOHBB-UHFFFAOYSA-N 1 1 199.257 1.715 10 30 ADEEMO N#Cc1ccc(C[N@@H+]2CC=CCC2)nc1 593971779 346843331 /nfs/dbraw/zinc/84/33/31/346843331.db2.gz GPARGXVUIJOHBB-UHFFFAOYSA-N 1 1 199.257 1.715 10 30 ADEEMO C=C(C)[C@H](CO)[NH2+][C@H](CC)CC#N 594010827 346845076 /nfs/dbraw/zinc/84/50/76/346845076.db2.gz OXCCFKUOLAMDFG-ZJUUUORDSA-N 1 1 182.267 1.205 10 30 ADEEMO C=C(C)[C@@H](CO)[NH2+][C@@H](CC)CC#N 594010826 346845111 /nfs/dbraw/zinc/84/51/11/346845111.db2.gz OXCCFKUOLAMDFG-VHSXEESVSA-N 1 1 182.267 1.205 10 30 ADEEMO C=C(C)[C@@H](CO)[NH2+][C@H](CC)CC#N 594010824 346845183 /nfs/dbraw/zinc/84/51/83/346845183.db2.gz OXCCFKUOLAMDFG-NXEZZACHSA-N 1 1 182.267 1.205 10 30 ADEEMO C=C(C)[C@H](CO)[NH2+][C@@H](CC)CC#N 594010825 346845214 /nfs/dbraw/zinc/84/52/14/346845214.db2.gz OXCCFKUOLAMDFG-UWVGGRQHSA-N 1 1 182.267 1.205 10 30 ADEEMO CC(C)(C)[N@H+]1CC[C@@H]1CNCCC#N 594718488 346851279 /nfs/dbraw/zinc/85/12/79/346851279.db2.gz QRHNBNBEBMZLST-SNVBAGLBSA-N 1 1 195.310 1.362 10 30 ADEEMO CC(C)(C)[N@H+]1CC[C@H]1CNCCC#N 594718487 346851556 /nfs/dbraw/zinc/85/15/56/346851556.db2.gz QRHNBNBEBMZLST-JTQLQIEISA-N 1 1 195.310 1.362 10 30 ADEEMO CCC[N@H+]1CC[C@@](C)(C#N)C1 595842098 346868306 /nfs/dbraw/zinc/86/83/06/346868306.db2.gz YDNKOIFDMVEACE-VIFPVBQESA-N 1 1 152.241 1.632 10 30 ADEEMO CO[C@@H](C[N@H+](C)CCC#N)C1CCC1 595344114 346858801 /nfs/dbraw/zinc/85/88/01/346858801.db2.gz LTGMIUFERVLZSS-NSHDSACASA-N 1 1 196.294 1.647 10 30 ADEEMO CO[C@@H](C[N@@H+](C)CCC#N)C1CCC1 595344114 346858803 /nfs/dbraw/zinc/85/88/03/346858803.db2.gz LTGMIUFERVLZSS-NSHDSACASA-N 1 1 196.294 1.647 10 30 ADEEMO C[N@@H+](CCC#N)C[C@H]1C[C@@H]2C[C@@H]2C1 595348062 346858851 /nfs/dbraw/zinc/85/88/51/346858851.db2.gz YDKIOIYWAZVMKE-JGPRNRPPSA-N 1 1 178.279 1.878 10 30 ADEEMO CO[C@H](C[N@H+](C)CCC#N)C1CCC1 595344113 346859239 /nfs/dbraw/zinc/85/92/39/346859239.db2.gz LTGMIUFERVLZSS-LLVKDONJSA-N 1 1 196.294 1.647 10 30 ADEEMO CO[C@H](C[N@@H+](C)CCC#N)C1CCC1 595344113 346859245 /nfs/dbraw/zinc/85/92/45/346859245.db2.gz LTGMIUFERVLZSS-LLVKDONJSA-N 1 1 196.294 1.647 10 30 ADEEMO C[N@@H+](CC(C)(C)C#N)[C@@H]1CCC[C@H]1O 595499601 346859630 /nfs/dbraw/zinc/85/96/30/346859630.db2.gz FSNKSALLPKYEBO-NXEZZACHSA-N 1 1 196.294 1.381 10 30 ADEEMO C=CC[N@H+](CCCC#N)[C@@H](C)COC 595638018 346860977 /nfs/dbraw/zinc/86/09/77/346860977.db2.gz AATKTYSMCTUIIP-NSHDSACASA-N 1 1 196.294 1.813 10 30 ADEEMO C=CC[N@H+](CCCC#N)[C@H](C)COC 595638017 346861514 /nfs/dbraw/zinc/86/15/14/346861514.db2.gz AATKTYSMCTUIIP-LLVKDONJSA-N 1 1 196.294 1.813 10 30 ADEEMO C=C(C)C[N@H+]1CC2CC1(C(=O)OC)C2 595676420 346862039 /nfs/dbraw/zinc/86/20/39/346862039.db2.gz TWPKUKCAVYXLOB-UHFFFAOYSA-N 1 1 195.262 1.200 10 30 ADEEMO C=C(C)C[N@@H+]1CC2CC1(C(=O)OC)C2 595676420 346862041 /nfs/dbraw/zinc/86/20/41/346862041.db2.gz TWPKUKCAVYXLOB-UHFFFAOYSA-N 1 1 195.262 1.200 10 30 ADEEMO C[C@]12COC[C@@]1(C)C[N@H+](CCC#N)C2 595689307 346862161 /nfs/dbraw/zinc/86/21/61/346862161.db2.gz PGPRMUMIKCXYDD-PHIMTYICSA-N 1 1 194.278 1.258 10 30 ADEEMO C[C@]12COC[C@@]1(C)C[N@@H+](CCC#N)C2 595689307 346862163 /nfs/dbraw/zinc/86/21/63/346862163.db2.gz PGPRMUMIKCXYDD-PHIMTYICSA-N 1 1 194.278 1.258 10 30 ADEEMO C=CCC[N@@H+]1CC2CC1(C(=O)OC)C2 595675761 346862386 /nfs/dbraw/zinc/86/23/86/346862386.db2.gz VVYQKDQKXPVNTC-UHFFFAOYSA-N 1 1 195.262 1.200 10 30 ADEEMO C[C@@]12COC[C@H]1C[N@@H+](CCCC#N)C2 595761629 346863317 /nfs/dbraw/zinc/86/33/17/346863317.db2.gz YSAQHYWXKPWWMQ-GHMZBOCLSA-N 1 1 194.278 1.258 10 30 ADEEMO C[C@]12COC[C@H]1C[N@@H+](CCCC#N)C2 595761630 346863374 /nfs/dbraw/zinc/86/33/74/346863374.db2.gz YSAQHYWXKPWWMQ-MNOVXSKESA-N 1 1 194.278 1.258 10 30 ADEEMO C[C@@]12COC[C@@H]1C[N@@H+](CCCC#N)C2 595761632 346863492 /nfs/dbraw/zinc/86/34/92/346863492.db2.gz YSAQHYWXKPWWMQ-WDEREUQCSA-N 1 1 194.278 1.258 10 30 ADEEMO C[C@H](CCC#N)[N@H+]1CC[C@@]2(O)C[C@H]2C1 595759596 346863721 /nfs/dbraw/zinc/86/37/21/346863721.db2.gz XOJBPBUFFNHFMC-OUAUKWLOSA-N 1 1 194.278 1.135 10 30 ADEEMO N#CCCCC[N@H+]1CC[C@@]2(O)C[C@H]2C1 595767899 346863783 /nfs/dbraw/zinc/86/37/83/346863783.db2.gz QMLAXDZUFJEWKU-WDEREUQCSA-N 1 1 194.278 1.137 10 30 ADEEMO C[C@@H](CCC#N)[N@H+]1CC[C@@]2(O)C[C@H]2C1 595759595 346863802 /nfs/dbraw/zinc/86/38/02/346863802.db2.gz XOJBPBUFFNHFMC-GARJFASQSA-N 1 1 194.278 1.135 10 30 ADEEMO C[C@]12COC[C@@H]1C[N@@H+](CCCC#N)C2 595761631 346863843 /nfs/dbraw/zinc/86/38/43/346863843.db2.gz YSAQHYWXKPWWMQ-QWRGUYRKSA-N 1 1 194.278 1.258 10 30 ADEEMO C[C@H]1C[N@@H+](CCC#N)CC[C@@H](C)O1 595781411 346863851 /nfs/dbraw/zinc/86/38/51/346863851.db2.gz SDJIBONCOXPERK-ZJUUUORDSA-N 1 1 182.267 1.399 10 30 ADEEMO C[C@H]1C[N@H+](CCC#N)CC[C@@H](C)O1 595781411 346863854 /nfs/dbraw/zinc/86/38/54/346863854.db2.gz SDJIBONCOXPERK-ZJUUUORDSA-N 1 1 182.267 1.399 10 30 ADEEMO C[C@H]1C[N@H+](CCCC#N)CC[C@@H](C)O1 595780510 346863932 /nfs/dbraw/zinc/86/39/32/346863932.db2.gz UBZRQPNXRNIINE-MNOVXSKESA-N 1 1 196.294 1.789 10 30 ADEEMO CCN(C[C@H]1CCC[N@H+]1C)[C@H](C)C#N 595816025 346865391 /nfs/dbraw/zinc/86/53/91/346865391.db2.gz DFEVIYHMVQYELA-GHMZBOCLSA-N 1 1 195.310 1.315 10 30 ADEEMO CCN(C[C@H]1CCC[N@H+]1C)[C@@H](C)C#N 595816043 346865559 /nfs/dbraw/zinc/86/55/59/346865559.db2.gz DFEVIYHMVQYELA-WDEREUQCSA-N 1 1 195.310 1.315 10 30 ADEEMO N#CCCC[N@H+]1CC[C@H]2COC[C@H]2C1 595826744 346866073 /nfs/dbraw/zinc/86/60/73/346866073.db2.gz HIXMQSLUFDTUCU-WDEREUQCSA-N 1 1 194.278 1.258 10 30 ADEEMO N#CCCC[N@H+]1CC[C@@H]2COC[C@H]2C1 595826740 346866098 /nfs/dbraw/zinc/86/60/98/346866098.db2.gz HIXMQSLUFDTUCU-GHMZBOCLSA-N 1 1 194.278 1.258 10 30 ADEEMO N#CCCC[N@H+]1CC[C@@H]2COC[C@@H]2C1 595826741 346866246 /nfs/dbraw/zinc/86/62/46/346866246.db2.gz HIXMQSLUFDTUCU-MNOVXSKESA-N 1 1 194.278 1.258 10 30 ADEEMO N#CCCC[N@H+]1CC[C@H]2COC[C@@H]2C1 595826743 346866398 /nfs/dbraw/zinc/86/63/98/346866398.db2.gz HIXMQSLUFDTUCU-QWRGUYRKSA-N 1 1 194.278 1.258 10 30 ADEEMO C=CC[N@@H+]1CC[C@@H](C(=O)OC)[C@@H](C)C1 595823121 346866405 /nfs/dbraw/zinc/86/64/05/346866405.db2.gz IFGSCZFSVZECFI-VHSXEESVSA-N 1 1 197.278 1.303 10 30 ADEEMO C[C@]1(C#N)CC[N@H+](C[C@@H]2CCCO2)C1 595832697 346866826 /nfs/dbraw/zinc/86/68/26/346866826.db2.gz CUFHKXQDRMQJCN-WDEREUQCSA-N 1 1 194.278 1.401 10 30 ADEEMO C[C@]1(C#N)CC[N@@H+](C[C@@H]2CCCO2)C1 595832697 346866828 /nfs/dbraw/zinc/86/68/28/346866828.db2.gz CUFHKXQDRMQJCN-WDEREUQCSA-N 1 1 194.278 1.401 10 30 ADEEMO CC(C)OCC[N@@H+]1CC[C@@](C)(C#N)C1 595834730 346866832 /nfs/dbraw/zinc/86/68/32/346866832.db2.gz LKOAKNVZBZKLMH-NSHDSACASA-N 1 1 196.294 1.647 10 30 ADEEMO CC(C)OCC[N@H+]1CC[C@@](C)(C#N)C1 595834730 346866834 /nfs/dbraw/zinc/86/68/34/346866834.db2.gz LKOAKNVZBZKLMH-NSHDSACASA-N 1 1 196.294 1.647 10 30 ADEEMO COCC[C@H](C)[N@H+]1CC[C@@](C)(C#N)C1 595837352 346867032 /nfs/dbraw/zinc/86/70/32/346867032.db2.gz GJMYSMPMTXDWIF-QWRGUYRKSA-N 1 1 196.294 1.647 10 30 ADEEMO COC[C@H](C)[N@H+]1CC[C@@](C)(C#N)C1 595836902 346866841 /nfs/dbraw/zinc/86/68/41/346866841.db2.gz AWOJHOBGPTYEOB-UWVGGRQHSA-N 1 1 182.267 1.257 10 30 ADEEMO C=CC[N@H+]1CC[C@@](C)(C#N)C1 595834867 346866844 /nfs/dbraw/zinc/86/68/44/346866844.db2.gz MLRXQOZEHDGNEA-VIFPVBQESA-N 1 1 150.225 1.408 10 30 ADEEMO C=CC[N@@H+]1CC[C@@](C)(C#N)C1 595834867 346866845 /nfs/dbraw/zinc/86/68/45/346866845.db2.gz MLRXQOZEHDGNEA-VIFPVBQESA-N 1 1 150.225 1.408 10 30 ADEEMO N#CCCC[N@H+]1CCC2(COC2)C1 595834884 346866856 /nfs/dbraw/zinc/86/68/56/346866856.db2.gz PZDZEUVTCLWJDN-UHFFFAOYSA-N 1 1 180.251 1.012 10 30 ADEEMO C[C@@]1(C#N)CC[N@@H+](CCCF)C1 595837288 346866863 /nfs/dbraw/zinc/86/68/63/346866863.db2.gz FVCRRMASUQDVRC-VIFPVBQESA-N 1 1 170.231 1.582 10 30 ADEEMO COC[C@@H](C)[N@H+]1CC[C@@](C)(C#N)C1 595836904 346866874 /nfs/dbraw/zinc/86/68/74/346866874.db2.gz AWOJHOBGPTYEOB-ZJUUUORDSA-N 1 1 182.267 1.257 10 30 ADEEMO C[C@]1(C#N)CC[N@H+](C[C@H]2CCCO2)C1 595832693 346866880 /nfs/dbraw/zinc/86/68/80/346866880.db2.gz CUFHKXQDRMQJCN-GHMZBOCLSA-N 1 1 194.278 1.401 10 30 ADEEMO C[C@]1(C#N)CC[N@@H+](C[C@H]2CCCO2)C1 595832693 346866883 /nfs/dbraw/zinc/86/68/83/346866883.db2.gz CUFHKXQDRMQJCN-GHMZBOCLSA-N 1 1 194.278 1.401 10 30 ADEEMO C[C@]1(C#N)CC[N@@H+](CC2(O)CCC2)C1 595836942 346866897 /nfs/dbraw/zinc/86/68/97/346866897.db2.gz BSBYGQYJNGVDCK-SNVBAGLBSA-N 1 1 194.278 1.137 10 30 ADEEMO C[C@H](CCC#N)[N@H+]1CCC2(COC2)C1 595832039 346866905 /nfs/dbraw/zinc/86/69/05/346866905.db2.gz AZUNEYOGTXQRIX-SNVBAGLBSA-N 1 1 194.278 1.401 10 30 ADEEMO COC[C@@H](C)[N@H+]1CC[C@](C)(C#N)C1 595836901 346866938 /nfs/dbraw/zinc/86/69/38/346866938.db2.gz AWOJHOBGPTYEOB-NXEZZACHSA-N 1 1 182.267 1.257 10 30 ADEEMO C[C@]1(C#N)CC[N@@H+](CCCF)C1 595837287 346866954 /nfs/dbraw/zinc/86/69/54/346866954.db2.gz FVCRRMASUQDVRC-SECBINFHSA-N 1 1 170.231 1.582 10 30 ADEEMO COCC[C@H](C)[N@H+]1CC[C@](C)(C#N)C1 595837353 346866978 /nfs/dbraw/zinc/86/69/78/346866978.db2.gz GJMYSMPMTXDWIF-WDEREUQCSA-N 1 1 196.294 1.647 10 30 ADEEMO CCOCC[N@@H+]1CC[C@](C)(C#N)C1 595832379 346866987 /nfs/dbraw/zinc/86/69/87/346866987.db2.gz BPAUMENBGBASLC-SNVBAGLBSA-N 1 1 182.267 1.258 10 30 ADEEMO CCOCC[N@H+]1CC[C@](C)(C#N)C1 595832379 346866988 /nfs/dbraw/zinc/86/69/88/346866988.db2.gz BPAUMENBGBASLC-SNVBAGLBSA-N 1 1 182.267 1.258 10 30 ADEEMO COCC[C@@H](C)[N@H+]1CC[C@@](C)(C#N)C1 595837351 346867027 /nfs/dbraw/zinc/86/70/27/346867027.db2.gz GJMYSMPMTXDWIF-MNOVXSKESA-N 1 1 196.294 1.647 10 30 ADEEMO CC(C)C[N@H+]1CC[C@](C)(C#N)C1 595835341 346867041 /nfs/dbraw/zinc/86/70/41/346867041.db2.gz QSBXUERXQLRXRK-SNVBAGLBSA-N 1 1 166.268 1.878 10 30 ADEEMO C=CCC[N@@H+]1CC[C@@](C)(C#N)C1 595837132 346867049 /nfs/dbraw/zinc/86/70/49/346867049.db2.gz DNGBZXNDZPODPS-JTQLQIEISA-N 1 1 164.252 1.798 10 30 ADEEMO CC(C)OCC[N@@H+]1CC[C@](C)(C#N)C1 595834729 346867062 /nfs/dbraw/zinc/86/70/62/346867062.db2.gz LKOAKNVZBZKLMH-LLVKDONJSA-N 1 1 196.294 1.647 10 30 ADEEMO CC(C)OCC[N@H+]1CC[C@](C)(C#N)C1 595834729 346867066 /nfs/dbraw/zinc/86/70/66/346867066.db2.gz LKOAKNVZBZKLMH-LLVKDONJSA-N 1 1 196.294 1.647 10 30 ADEEMO C[C@@H](CCC#N)[N@H+]1CCC2(COC2)C1 595832036 346867078 /nfs/dbraw/zinc/86/70/78/346867078.db2.gz AZUNEYOGTXQRIX-JTQLQIEISA-N 1 1 194.278 1.401 10 30 ADEEMO N#CCCCC[N@H+]1CCC2(COC2)C1 595834628 346867092 /nfs/dbraw/zinc/86/70/92/346867092.db2.gz KLQKGJQGANLLQE-UHFFFAOYSA-N 1 1 194.278 1.403 10 30 ADEEMO CSCC[N@H+]1CC[C@](C)(C#N)C1 595836121 346867105 /nfs/dbraw/zinc/86/71/05/346867105.db2.gz VVJTZPUXKARINH-SECBINFHSA-N 1 1 184.308 1.585 10 30 ADEEMO N#CC1(C[N@H+]2CCC3(COC3)C2)CC1 595834460 346867129 /nfs/dbraw/zinc/86/71/29/346867129.db2.gz PCHLPDMDTJCQNI-UHFFFAOYSA-N 1 1 192.262 1.012 10 30 ADEEMO C=CCC[N@@H+]1CC[C@](C)(C#N)C1 595837133 346867194 /nfs/dbraw/zinc/86/71/94/346867194.db2.gz DNGBZXNDZPODPS-SNVBAGLBSA-N 1 1 164.252 1.798 10 30 ADEEMO CC(C)C[N@H+]1CC[C@@](C)(C#N)C1 595835340 346867220 /nfs/dbraw/zinc/86/72/20/346867220.db2.gz QSBXUERXQLRXRK-JTQLQIEISA-N 1 1 166.268 1.878 10 30 ADEEMO COC[C@H](C)[N@H+]1CC[C@](C)(C#N)C1 595836903 346867263 /nfs/dbraw/zinc/86/72/63/346867263.db2.gz AWOJHOBGPTYEOB-VHSXEESVSA-N 1 1 182.267 1.257 10 30 ADEEMO C[C@@]1(C#N)CC[N@H+](CCCC#N)C1 595834099 346867307 /nfs/dbraw/zinc/86/73/07/346867307.db2.gz JPBLJDGGZGQSGD-JTQLQIEISA-N 1 1 177.251 1.526 10 30 ADEEMO C[C@@]1(C#N)CC[N@@H+](CCCC#N)C1 595834099 346867310 /nfs/dbraw/zinc/86/73/10/346867310.db2.gz JPBLJDGGZGQSGD-JTQLQIEISA-N 1 1 177.251 1.526 10 30 ADEEMO C[C@@]1(C#N)CC[N@@H+](CC2(O)CCC2)C1 595836941 346867345 /nfs/dbraw/zinc/86/73/45/346867345.db2.gz BSBYGQYJNGVDCK-JTQLQIEISA-N 1 1 194.278 1.137 10 30 ADEEMO C=CC[N@H+]1CC[C@](C)(C#N)C1 595834866 346867358 /nfs/dbraw/zinc/86/73/58/346867358.db2.gz MLRXQOZEHDGNEA-SECBINFHSA-N 1 1 150.225 1.408 10 30 ADEEMO C=CC[N@@H+]1CC[C@](C)(C#N)C1 595834866 346867361 /nfs/dbraw/zinc/86/73/61/346867361.db2.gz MLRXQOZEHDGNEA-SECBINFHSA-N 1 1 150.225 1.408 10 30 ADEEMO COCC[C@@H](C)[N@H+]1CC[C@](C)(C#N)C1 595837350 346867371 /nfs/dbraw/zinc/86/73/71/346867371.db2.gz GJMYSMPMTXDWIF-GHMZBOCLSA-N 1 1 196.294 1.647 10 30 ADEEMO C=C(C)C[N@H+]1CC[C@@](C)(C#N)C1 595835062 346867388 /nfs/dbraw/zinc/86/73/88/346867388.db2.gz NEKRMBUOBNYGAN-JTQLQIEISA-N 1 1 164.252 1.798 10 30 ADEEMO CSCC[N@H+]1CC[C@@](C)(C#N)C1 595836122 346867410 /nfs/dbraw/zinc/86/74/10/346867410.db2.gz VVJTZPUXKARINH-VIFPVBQESA-N 1 1 184.308 1.585 10 30 ADEEMO CCOCC[N@@H+]1CC[C@@](C)(C#N)C1 595832378 346867465 /nfs/dbraw/zinc/86/74/65/346867465.db2.gz BPAUMENBGBASLC-JTQLQIEISA-N 1 1 182.267 1.258 10 30 ADEEMO CCOCC[N@H+]1CC[C@@](C)(C#N)C1 595832378 346867467 /nfs/dbraw/zinc/86/74/67/346867467.db2.gz BPAUMENBGBASLC-JTQLQIEISA-N 1 1 182.267 1.258 10 30 ADEEMO C[C@@]1(C#N)CC[N@H+](C[C@@H]2CCCO2)C1 595832696 346867489 /nfs/dbraw/zinc/86/74/89/346867489.db2.gz CUFHKXQDRMQJCN-QWRGUYRKSA-N 1 1 194.278 1.401 10 30 ADEEMO C[C@@]1(C#N)CC[N@@H+](C[C@@H]2CCCO2)C1 595832696 346867492 /nfs/dbraw/zinc/86/74/92/346867492.db2.gz CUFHKXQDRMQJCN-QWRGUYRKSA-N 1 1 194.278 1.401 10 30 ADEEMO C[C@]1(C#N)CC[N@H+](CCCC#N)C1 595834101 346867498 /nfs/dbraw/zinc/86/74/98/346867498.db2.gz JPBLJDGGZGQSGD-SNVBAGLBSA-N 1 1 177.251 1.526 10 30 ADEEMO C[C@]1(C#N)CC[N@@H+](CCCC#N)C1 595834101 346867500 /nfs/dbraw/zinc/86/75/00/346867500.db2.gz JPBLJDGGZGQSGD-SNVBAGLBSA-N 1 1 177.251 1.526 10 30 ADEEMO C[C@@]1(C#N)CC[N@H+](C[C@H]2CCCO2)C1 595832694 346867570 /nfs/dbraw/zinc/86/75/70/346867570.db2.gz CUFHKXQDRMQJCN-MNOVXSKESA-N 1 1 194.278 1.401 10 30 ADEEMO C[C@@]1(C#N)CC[N@@H+](C[C@H]2CCCO2)C1 595832694 346867573 /nfs/dbraw/zinc/86/75/73/346867573.db2.gz CUFHKXQDRMQJCN-MNOVXSKESA-N 1 1 194.278 1.401 10 30 ADEEMO C=C(C)C[N@H+]1CC[C@](C)(C#N)C1 595835064 346867590 /nfs/dbraw/zinc/86/75/90/346867590.db2.gz NEKRMBUOBNYGAN-SNVBAGLBSA-N 1 1 164.252 1.798 10 30 ADEEMO CCSCC[N@H+]1CC[C@](C)(C#N)C1 595838797 346867989 /nfs/dbraw/zinc/86/79/89/346867989.db2.gz XWGUWTLSPHDZPM-SNVBAGLBSA-N 1 1 198.335 1.975 10 30 ADEEMO C[C@@]1(C#N)CC[N@@H+](CCCCCO)C1 595839625 346867789 /nfs/dbraw/zinc/86/77/89/346867789.db2.gz KMHJMIFOERVJDW-NSHDSACASA-N 1 1 196.294 1.385 10 30 ADEEMO CC(C)(O)CC[N@H+]1CC[C@](C)(C#N)C1 595838274 346867807 /nfs/dbraw/zinc/86/78/07/346867807.db2.gz STMJQXCRLCQOIY-LLVKDONJSA-N 1 1 196.294 1.383 10 30 ADEEMO COCCC[N@H+]1CC[C@@](C)(C#N)C1 595838712 346867817 /nfs/dbraw/zinc/86/78/17/346867817.db2.gz DNBSUFLIFCJNCW-JTQLQIEISA-N 1 1 182.267 1.258 10 30 ADEEMO C[C@]1(C#N)CC[N@@H+](C[C@H]2CCOC2)C1 595841422 346867854 /nfs/dbraw/zinc/86/78/54/346867854.db2.gz VWNGOSHIZYLKSB-GHMZBOCLSA-N 1 1 194.278 1.258 10 30 ADEEMO CCC[C@H](O)C[N@H+]1CC[C@@](C)(C#N)C1 595841640 346867930 /nfs/dbraw/zinc/86/79/30/346867930.db2.gz NCBOEQQEKJXCCR-QWRGUYRKSA-N 1 1 196.294 1.383 10 30 ADEEMO C[C@@]1(C#N)CC[N@H+]([C@@H]2CCC[C@H]2O)C1 595841953 346867957 /nfs/dbraw/zinc/86/79/57/346867957.db2.gz PNVVDUMWQPQSNW-MXWKQRLJSA-N 1 1 194.278 1.135 10 30 ADEEMO COCCCC[N@H+]1CC[C@](C)(C#N)C1 595842093 346867999 /nfs/dbraw/zinc/86/79/99/346867999.db2.gz YBLCLPWZACZTLC-LLVKDONJSA-N 1 1 196.294 1.649 10 30 ADEEMO C[C@H](CCC#N)[N@@H+]1CC[C@](C)(C#N)C1 595842195 346868020 /nfs/dbraw/zinc/86/80/20/346868020.db2.gz CITOCAPYMSLESH-GHMZBOCLSA-N 1 1 191.278 1.914 10 30 ADEEMO C[C@H](CCC#N)[N@H+]1CC[C@](C)(C#N)C1 595842195 346868023 /nfs/dbraw/zinc/86/80/23/346868023.db2.gz CITOCAPYMSLESH-GHMZBOCLSA-N 1 1 191.278 1.914 10 30 ADEEMO CCSCC[N@H+]1CC[C@@](C)(C#N)C1 595838792 346868029 /nfs/dbraw/zinc/86/80/29/346868029.db2.gz XWGUWTLSPHDZPM-JTQLQIEISA-N 1 1 198.335 1.975 10 30 ADEEMO C[C@]1(C#N)CC[N@H+]([C@@H]2CCC[C@H]2O)C1 595841951 346868050 /nfs/dbraw/zinc/86/80/50/346868050.db2.gz PNVVDUMWQPQSNW-GMTAPVOTSA-N 1 1 194.278 1.135 10 30 ADEEMO C=CCOCC[N@H+]1CC[C@](C)(C#N)C1 595841755 346868084 /nfs/dbraw/zinc/86/80/84/346868084.db2.gz NZAIMXIGDMNKQA-LLVKDONJSA-N 1 1 194.278 1.425 10 30 ADEEMO C=CCOCC[N@@H+]1CC[C@](C)(C#N)C1 595841755 346868085 /nfs/dbraw/zinc/86/80/85/346868085.db2.gz NZAIMXIGDMNKQA-LLVKDONJSA-N 1 1 194.278 1.425 10 30 ADEEMO CCC[C@@H](O)C[N@H+]1CC[C@@](C)(C#N)C1 595841639 346868099 /nfs/dbraw/zinc/86/80/99/346868099.db2.gz NCBOEQQEKJXCCR-MNOVXSKESA-N 1 1 196.294 1.383 10 30 ADEEMO C[C@]1(C#N)CC[N@@H+](CCCCCO)C1 595839624 346868107 /nfs/dbraw/zinc/86/81/07/346868107.db2.gz KMHJMIFOERVJDW-LLVKDONJSA-N 1 1 196.294 1.385 10 30 ADEEMO CSCCC[N@H+]1CC[C@](C)(C#N)C1 595839126 346868116 /nfs/dbraw/zinc/86/81/16/346868116.db2.gz ZJZWCNLFNZBVCP-SNVBAGLBSA-N 1 1 198.335 1.975 10 30 ADEEMO CC(C)(O)CC[N@H+]1CC[C@@](C)(C#N)C1 595838275 346868151 /nfs/dbraw/zinc/86/81/51/346868151.db2.gz STMJQXCRLCQOIY-NSHDSACASA-N 1 1 196.294 1.383 10 30 ADEEMO C=CCOCC[N@H+]1CC[C@@](C)(C#N)C1 595841758 346868195 /nfs/dbraw/zinc/86/81/95/346868195.db2.gz NZAIMXIGDMNKQA-NSHDSACASA-N 1 1 194.278 1.425 10 30 ADEEMO C=CCOCC[N@@H+]1CC[C@@](C)(C#N)C1 595841758 346868198 /nfs/dbraw/zinc/86/81/98/346868198.db2.gz NZAIMXIGDMNKQA-NSHDSACASA-N 1 1 194.278 1.425 10 30 ADEEMO C[C@@]1(C#N)CC[N@@H+](C[C@@H]2CCOC2)C1 595841424 346868236 /nfs/dbraw/zinc/86/82/36/346868236.db2.gz VWNGOSHIZYLKSB-QWRGUYRKSA-N 1 1 194.278 1.258 10 30 ADEEMO CCC[N@H+]1CC[C@](C)(C#N)C1 595842097 346868244 /nfs/dbraw/zinc/86/82/44/346868244.db2.gz YDNKOIFDMVEACE-SECBINFHSA-N 1 1 152.241 1.632 10 30 ADEEMO C[C@]1(C#N)CC[N@@H+](C[C@@H]2CCOC2)C1 595841425 346868262 /nfs/dbraw/zinc/86/82/62/346868262.db2.gz VWNGOSHIZYLKSB-WDEREUQCSA-N 1 1 194.278 1.258 10 30 ADEEMO CCC[C@H](O)C[N@H+]1CC[C@](C)(C#N)C1 595841641 346868328 /nfs/dbraw/zinc/86/83/28/346868328.db2.gz NCBOEQQEKJXCCR-WDEREUQCSA-N 1 1 196.294 1.383 10 30 ADEEMO CCC[C@@H](O)C[N@H+]1CC[C@](C)(C#N)C1 595841638 346868344 /nfs/dbraw/zinc/86/83/44/346868344.db2.gz NCBOEQQEKJXCCR-GHMZBOCLSA-N 1 1 196.294 1.383 10 30 ADEEMO C[C@@]1(C#N)CC[N@@H+](CCCCF)C1 595841133 346868353 /nfs/dbraw/zinc/86/83/53/346868353.db2.gz IGSCIOWLEPPMSN-JTQLQIEISA-N 1 1 184.258 1.972 10 30 ADEEMO C[C@]1(C#N)CC[N@@H+](CC2CC2)C1 595838834 346868436 /nfs/dbraw/zinc/86/84/36/346868436.db2.gz XXQXELGJPDUHNF-SNVBAGLBSA-N 1 1 164.252 1.632 10 30 ADEEMO C[C@@]1(C#N)CC[N@@H+](C[C@H]2CCOC2)C1 595841423 346868457 /nfs/dbraw/zinc/86/84/57/346868457.db2.gz VWNGOSHIZYLKSB-MNOVXSKESA-N 1 1 194.278 1.258 10 30 ADEEMO CSCCC[N@H+]1CC[C@@](C)(C#N)C1 595839125 346868477 /nfs/dbraw/zinc/86/84/77/346868477.db2.gz ZJZWCNLFNZBVCP-JTQLQIEISA-N 1 1 198.335 1.975 10 30 ADEEMO COCCCC[N@H+]1CC[C@@](C)(C#N)C1 595842094 346868503 /nfs/dbraw/zinc/86/85/03/346868503.db2.gz YBLCLPWZACZTLC-NSHDSACASA-N 1 1 196.294 1.649 10 30 ADEEMO CCOCCC[N@H+]1CC[C@@](C)(C#N)C1 595841420 346868517 /nfs/dbraw/zinc/86/85/17/346868517.db2.gz VVIZOMUKCZPYSW-NSHDSACASA-N 1 1 196.294 1.649 10 30 ADEEMO C[C@]1(C#N)CC[N@@H+](CCCCC#N)C1 595839257 346868567 /nfs/dbraw/zinc/86/85/67/346868567.db2.gz HIFHUMXIPWGWQX-LLVKDONJSA-N 1 1 191.278 1.916 10 30 ADEEMO COCCC[N@H+]1CC[C@](C)(C#N)C1 595838713 346868611 /nfs/dbraw/zinc/86/86/11/346868611.db2.gz DNBSUFLIFCJNCW-SNVBAGLBSA-N 1 1 182.267 1.258 10 30 ADEEMO C[C@]1(C#N)CC[N@@H+](CCCCF)C1 595841134 346868651 /nfs/dbraw/zinc/86/86/51/346868651.db2.gz IGSCIOWLEPPMSN-SNVBAGLBSA-N 1 1 184.258 1.972 10 30 ADEEMO CCOCCC[N@H+]1CC[C@](C)(C#N)C1 595841418 346868697 /nfs/dbraw/zinc/86/86/97/346868697.db2.gz VVIZOMUKCZPYSW-LLVKDONJSA-N 1 1 196.294 1.649 10 30 ADEEMO CC(C)[C@@H](O)C[N@H+]1CC[C@](C)(C#N)C1 595843147 346869023 /nfs/dbraw/zinc/86/90/23/346869023.db2.gz ZYJDGFXDHYQZJA-WDEREUQCSA-N 1 1 196.294 1.239 10 30 ADEEMO C[C@]1(C#N)CC[N@@H+]([C@H]2CCOC2)C1 595842243 346869028 /nfs/dbraw/zinc/86/90/28/346869028.db2.gz CTQIZMRTUKLQMY-VHSXEESVSA-N 1 1 180.251 1.011 10 30 ADEEMO C[C@]1(C#N)CC[N@H+]([C@H]2CCOC2)C1 595842243 346869029 /nfs/dbraw/zinc/86/90/29/346869029.db2.gz CTQIZMRTUKLQMY-VHSXEESVSA-N 1 1 180.251 1.011 10 30 ADEEMO CC[C@H](C[N@H+]1CC[C@](C)(C#N)C1)OC 595842255 346869038 /nfs/dbraw/zinc/86/90/38/346869038.db2.gz QMLYMVGXRXIOSH-GHMZBOCLSA-N 1 1 196.294 1.647 10 30 ADEEMO C[C@@]1(C#N)CC[N@@H+]([C@H]2CCOC2)C1 595842241 346869074 /nfs/dbraw/zinc/86/90/74/346869074.db2.gz CTQIZMRTUKLQMY-UWVGGRQHSA-N 1 1 180.251 1.011 10 30 ADEEMO C[C@@]1(C#N)CC[N@H+]([C@H]2CCOC2)C1 595842241 346869075 /nfs/dbraw/zinc/86/90/75/346869075.db2.gz CTQIZMRTUKLQMY-UWVGGRQHSA-N 1 1 180.251 1.011 10 30 ADEEMO CC[C@H](C[N@H+]1CC[C@@](C)(C#N)C1)OC 595842256 346869134 /nfs/dbraw/zinc/86/91/34/346869134.db2.gz QMLYMVGXRXIOSH-MNOVXSKESA-N 1 1 196.294 1.647 10 30 ADEEMO C[C@]1(C#N)CC[N@@H+]([C@@H]2CCOC2)C1 595842240 346869157 /nfs/dbraw/zinc/86/91/57/346869157.db2.gz CTQIZMRTUKLQMY-NXEZZACHSA-N 1 1 180.251 1.011 10 30 ADEEMO C[C@]1(C#N)CC[N@H+]([C@@H]2CCOC2)C1 595842240 346869160 /nfs/dbraw/zinc/86/91/60/346869160.db2.gz CTQIZMRTUKLQMY-NXEZZACHSA-N 1 1 180.251 1.011 10 30 ADEEMO C[C@@H](CCC#N)[N@@H+]1CC[C@@](C)(C#N)C1 595842199 346869194 /nfs/dbraw/zinc/86/91/94/346869194.db2.gz CITOCAPYMSLESH-QWRGUYRKSA-N 1 1 191.278 1.914 10 30 ADEEMO C[C@@H](CCC#N)[N@H+]1CC[C@@](C)(C#N)C1 595842199 346869200 /nfs/dbraw/zinc/86/92/00/346869200.db2.gz CITOCAPYMSLESH-QWRGUYRKSA-N 1 1 191.278 1.914 10 30 ADEEMO C=C1C[C@@H]2CC[C@H](C1)[N@H+]2CC(=O)OC 595842578 346869210 /nfs/dbraw/zinc/86/92/10/346869210.db2.gz SWINRZNNHXAYSG-AOOOYVTPSA-N 1 1 195.262 1.342 10 30 ADEEMO CC(C)[C@@H](O)C[N@H+]1CC[C@@](C)(C#N)C1 595843146 346869383 /nfs/dbraw/zinc/86/93/83/346869383.db2.gz ZYJDGFXDHYQZJA-QWRGUYRKSA-N 1 1 196.294 1.239 10 30 ADEEMO CC(C)[C@H](O)C[N@H+]1CC[C@](C)(C#N)C1 595843144 346869320 /nfs/dbraw/zinc/86/93/20/346869320.db2.gz ZYJDGFXDHYQZJA-GHMZBOCLSA-N 1 1 196.294 1.239 10 30 ADEEMO CC[C@@H](C[N@H+]1CC[C@](C)(C#N)C1)OC 595842259 346869332 /nfs/dbraw/zinc/86/93/32/346869332.db2.gz QMLYMVGXRXIOSH-WDEREUQCSA-N 1 1 196.294 1.647 10 30 ADEEMO C[C@H](CCC#N)[N@@H+]1CC[C@@](C)(C#N)C1 595842198 346869358 /nfs/dbraw/zinc/86/93/58/346869358.db2.gz CITOCAPYMSLESH-MNOVXSKESA-N 1 1 191.278 1.914 10 30 ADEEMO C[C@H](CCC#N)[N@H+]1CC[C@@](C)(C#N)C1 595842198 346869362 /nfs/dbraw/zinc/86/93/62/346869362.db2.gz CITOCAPYMSLESH-MNOVXSKESA-N 1 1 191.278 1.914 10 30 ADEEMO C[C@@H](CCC#N)[N@@H+]1CC[C@](C)(C#N)C1 595842200 346869372 /nfs/dbraw/zinc/86/93/72/346869372.db2.gz CITOCAPYMSLESH-WDEREUQCSA-N 1 1 191.278 1.914 10 30 ADEEMO C[C@@H](CCC#N)[N@H+]1CC[C@](C)(C#N)C1 595842200 346869373 /nfs/dbraw/zinc/86/93/73/346869373.db2.gz CITOCAPYMSLESH-WDEREUQCSA-N 1 1 191.278 1.914 10 30 ADEEMO C[C@@]1(C#N)CC[N@@H+]([C@@H]2CCOC2)C1 595842245 346869409 /nfs/dbraw/zinc/86/94/09/346869409.db2.gz CTQIZMRTUKLQMY-ZJUUUORDSA-N 1 1 180.251 1.011 10 30 ADEEMO C[C@@]1(C#N)CC[N@H+]([C@@H]2CCOC2)C1 595842245 346869410 /nfs/dbraw/zinc/86/94/10/346869410.db2.gz CTQIZMRTUKLQMY-ZJUUUORDSA-N 1 1 180.251 1.011 10 30 ADEEMO CC(C)[C@H](O)C[N@H+]1CC[C@@](C)(C#N)C1 595843145 346869427 /nfs/dbraw/zinc/86/94/27/346869427.db2.gz ZYJDGFXDHYQZJA-MNOVXSKESA-N 1 1 196.294 1.239 10 30 ADEEMO C=CCC[N@H+](C)[C@H]1C[C@@H](C(=O)OC)C1 595850311 346869809 /nfs/dbraw/zinc/86/98/09/346869809.db2.gz XKDNIRGLGZBASQ-AOOOYVTPSA-N 1 1 197.278 1.446 10 30 ADEEMO C=C(C)C[N@H+](C)[C@H]1C[C@@H](C(=O)OC)C1 595850489 346869824 /nfs/dbraw/zinc/86/98/24/346869824.db2.gz FHEFSYHPEVHKAN-AOOOYVTPSA-N 1 1 197.278 1.446 10 30 ADEEMO CCC[N@@H+](C)CC(C)(C)NCCC#N 595872190 346869971 /nfs/dbraw/zinc/86/99/71/346869971.db2.gz DHZFVIQIKHDXBE-UHFFFAOYSA-N 1 1 197.326 1.610 10 30 ADEEMO CCC[N@@H+](C)CC(C)(C)NCC#N 595874098 346870242 /nfs/dbraw/zinc/87/02/42/346870242.db2.gz SSEWYVUQMWOAKZ-UHFFFAOYSA-N 1 1 183.299 1.220 10 30 ADEEMO CC12CC(C[N@H+]1CCC#N)C2 595917105 346870857 /nfs/dbraw/zinc/87/08/57/346870857.db2.gz XKTXOOLOJCEZKJ-UHFFFAOYSA-N 1 1 150.225 1.384 10 30 ADEEMO CC12CC(C[N@H+]1CCCC#N)C2 595917129 346870885 /nfs/dbraw/zinc/87/08/85/346870885.db2.gz XQLSIMQHEDDOED-UHFFFAOYSA-N 1 1 164.252 1.774 10 30 ADEEMO CC12CC(C[N@H+]1CC1(C#N)CC1)C2 595919058 346870936 /nfs/dbraw/zinc/87/09/36/346870936.db2.gz FVNHQPANNFRCDR-UHFFFAOYSA-N 1 1 176.263 1.774 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@@H+]1CC2CC1(C)C2 595920267 346871020 /nfs/dbraw/zinc/87/10/20/346871020.db2.gz PPRZOOHVJZGSDF-INWMGODYSA-N 1 1 195.262 1.198 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@H+]1CC2CC1(C)C2 595920267 346871023 /nfs/dbraw/zinc/87/10/23/346871023.db2.gz PPRZOOHVJZGSDF-INWMGODYSA-N 1 1 195.262 1.198 10 30 ADEEMO C=C[C@@H](C(=O)OC)[N@@H+]1CC2CC1(C)C2 595920268 346871138 /nfs/dbraw/zinc/87/11/38/346871138.db2.gz PPRZOOHVJZGSDF-YUCVTWSNSA-N 1 1 195.262 1.198 10 30 ADEEMO C=C[C@@H](C(=O)OC)[N@H+]1CC2CC1(C)C2 595920268 346871140 /nfs/dbraw/zinc/87/11/40/346871140.db2.gz PPRZOOHVJZGSDF-YUCVTWSNSA-N 1 1 195.262 1.198 10 30 ADEEMO CCN(CC#N)Cc1c[nH+]c(C)n1C 596990625 346882116 /nfs/dbraw/zinc/88/21/16/346882116.db2.gz ANTDBGIBYBQZFE-UHFFFAOYSA-N 1 1 192.266 1.074 10 30 ADEEMO N#CC1(C[NH2+]Cc2cn[nH]c2)CCC1 597156371 346884027 /nfs/dbraw/zinc/88/40/27/346884027.db2.gz ZHNFAEHPXDRWSN-UHFFFAOYSA-N 1 1 190.250 1.193 10 30 ADEEMO N#CCC1C[NH+](Cc2ccncc2)C1 597194645 346884765 /nfs/dbraw/zinc/88/47/65/346884765.db2.gz VCOJEOSHLWGGSR-UHFFFAOYSA-N 1 1 187.246 1.427 10 30 ADEEMO Cc1ccc(C[NH+]2CC(CC#N)C2)o1 597194327 346884808 /nfs/dbraw/zinc/88/48/08/346884808.db2.gz RRVVSOVLLZFRHN-UHFFFAOYSA-N 1 1 190.246 1.934 10 30 ADEEMO Cn1ccc(C[NH+]2CC(CC#N)C2)c1 597194711 346884843 /nfs/dbraw/zinc/88/48/43/346884843.db2.gz YGGIIPYBSOYYKM-UHFFFAOYSA-N 1 1 189.262 1.371 10 30 ADEEMO Cn1cccc1C[NH+]1CC(CC#N)C1 597194069 346884903 /nfs/dbraw/zinc/88/49/03/346884903.db2.gz MWUHNULJTNZZIH-UHFFFAOYSA-N 1 1 189.262 1.371 10 30 ADEEMO Cc1ccoc1C[NH+]1CC(CC#N)C1 597193984 346884917 /nfs/dbraw/zinc/88/49/17/346884917.db2.gz LVAVNNGUOBYMNT-UHFFFAOYSA-N 1 1 190.246 1.934 10 30 ADEEMO COC[C@@H](C)C[N@H+]1CC[C@@](C)(C#N)C1 597231427 346885346 /nfs/dbraw/zinc/88/53/46/346885346.db2.gz NQZWMELNGCCNPL-QWRGUYRKSA-N 1 1 196.294 1.504 10 30 ADEEMO Cc1occc1C[NH+]1CC(CC#N)C1 597204507 346885396 /nfs/dbraw/zinc/88/53/96/346885396.db2.gz YKWFQZNPNMYFMV-UHFFFAOYSA-N 1 1 190.246 1.934 10 30 ADEEMO C[C@@H]1C[C@H]1C[N@H+]1CC[C@@](C)(C#N)C1 597231357 346885401 /nfs/dbraw/zinc/88/54/01/346885401.db2.gz LSVMOEYVUBKZAO-VWYCJHECSA-N 1 1 178.279 1.878 10 30 ADEEMO C[C@@H]1C[C@@H]1C[N@H+]1CC[C@](C)(C#N)C1 597231354 346885490 /nfs/dbraw/zinc/88/54/90/346885490.db2.gz LSVMOEYVUBKZAO-GMTAPVOTSA-N 1 1 178.279 1.878 10 30 ADEEMO C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@](C)(C#N)C1 597231355 346885620 /nfs/dbraw/zinc/88/56/20/346885620.db2.gz LSVMOEYVUBKZAO-MXWKQRLJSA-N 1 1 178.279 1.878 10 30 ADEEMO COC(=O)CCCC[N@@H+](C)CCC#N 599306402 346902603 /nfs/dbraw/zinc/90/26/03/346902603.db2.gz HLIOALNCJIHXOW-UHFFFAOYSA-N 1 1 198.266 1.175 10 30 ADEEMO CCC[N@@H+](C)C[C@@H](O)CC1(C#N)CC1 599275138 346902629 /nfs/dbraw/zinc/90/26/29/346902629.db2.gz LXIQDLWBXOVXPO-JTQLQIEISA-N 1 1 196.294 1.383 10 30 ADEEMO CCC[N@@H+](C)C[C@H](O)CC1(C#N)CC1 599275139 346902775 /nfs/dbraw/zinc/90/27/75/346902775.db2.gz LXIQDLWBXOVXPO-SNVBAGLBSA-N 1 1 196.294 1.383 10 30 ADEEMO CC#CC[N@H+](C)CCCCC(=O)OC 599430919 346903519 /nfs/dbraw/zinc/90/35/19/346903519.db2.gz FYHPRLSUTAXKIQ-UHFFFAOYSA-N 1 1 197.278 1.285 10 30 ADEEMO C=CC[N@H+](C)C[C@H](O)CC1(C#N)CC1 599381755 346903746 /nfs/dbraw/zinc/90/37/46/346903746.db2.gz OZJMCDFEWOLEST-SNVBAGLBSA-N 1 1 194.278 1.159 10 30 ADEEMO C=CC[C@H]1CC[N@@H+](CCC#N)C1 599526739 346903772 /nfs/dbraw/zinc/90/37/72/346903772.db2.gz QYMAXLDHUVMKMJ-JTQLQIEISA-N 1 1 164.252 1.798 10 30 ADEEMO C=CC[C@@H]1CC[N@H+](CCC(=O)OC)C1 599526245 346903902 /nfs/dbraw/zinc/90/39/02/346903902.db2.gz IOAMOZYKOOGWAY-SNVBAGLBSA-N 1 1 197.278 1.448 10 30 ADEEMO CCO[C@@H](C[N@H+](C)CCC#N)C1CC1 599307347 346904069 /nfs/dbraw/zinc/90/40/69/346904069.db2.gz SRZNJBPKZVUONF-NSHDSACASA-N 1 1 196.294 1.647 10 30 ADEEMO CCO[C@@H](C[N@@H+](C)CCC#N)C1CC1 599307347 346904070 /nfs/dbraw/zinc/90/40/70/346904070.db2.gz SRZNJBPKZVUONF-NSHDSACASA-N 1 1 196.294 1.647 10 30 ADEEMO C=CC[C@@H]1CC[N@H+](CC(=O)OC)C1 599526657 346904083 /nfs/dbraw/zinc/90/40/83/346904083.db2.gz OSKDRVKFNCZRQO-SECBINFHSA-N 1 1 183.251 1.057 10 30 ADEEMO C=CC[C@H]1CC[N@H+](CC(=O)OC)C1 599526660 346904097 /nfs/dbraw/zinc/90/40/97/346904097.db2.gz OSKDRVKFNCZRQO-VIFPVBQESA-N 1 1 183.251 1.057 10 30 ADEEMO CCO[C@H](C[N@H+](C)CCC#N)C1CC1 599307346 346904128 /nfs/dbraw/zinc/90/41/28/346904128.db2.gz SRZNJBPKZVUONF-LLVKDONJSA-N 1 1 196.294 1.647 10 30 ADEEMO CCO[C@H](C[N@@H+](C)CCC#N)C1CC1 599307346 346904130 /nfs/dbraw/zinc/90/41/30/346904130.db2.gz SRZNJBPKZVUONF-LLVKDONJSA-N 1 1 196.294 1.647 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+](CCC#N)C1 599526740 346904654 /nfs/dbraw/zinc/90/46/54/346904654.db2.gz QYMAXLDHUVMKMJ-SNVBAGLBSA-N 1 1 164.252 1.798 10 30 ADEEMO C=CC[C@H]1CC[N@H+](CC(=O)OCC)C1 599526971 346904701 /nfs/dbraw/zinc/90/47/01/346904701.db2.gz ZBHSUKDBWVONRA-JTQLQIEISA-N 1 1 197.278 1.448 10 30 ADEEMO C=CC[C@@H]1CC[N@H+](CC(=O)OCC)C1 599526972 346904732 /nfs/dbraw/zinc/90/47/32/346904732.db2.gz ZBHSUKDBWVONRA-SNVBAGLBSA-N 1 1 197.278 1.448 10 30 ADEEMO C[N@@H+](CCCCC#N)CC1(C)COC1 599571338 346904740 /nfs/dbraw/zinc/90/47/40/346904740.db2.gz CKYLDLYXXLLAQY-UHFFFAOYSA-N 1 1 196.294 1.649 10 30 ADEEMO N#CCCC[N@@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 599682263 346905939 /nfs/dbraw/zinc/90/59/39/346905939.db2.gz XXCYZVXFOLMBKT-HBNTYKKESA-N 1 1 194.278 1.135 10 30 ADEEMO N#Cc1ccc(C[N@@H+]2C[C@H]3C[C@H]3C2)o1 600193147 346907106 /nfs/dbraw/zinc/90/71/06/346907106.db2.gz WEIONRMURDFUOD-DTORHVGOSA-N 1 1 188.230 1.603 10 30 ADEEMO C=C(C)C[N@@H+](C)CCn1cccn1 600702507 346915677 /nfs/dbraw/zinc/91/56/77/346915677.db2.gz AJEGHZMAHYPXEZ-UHFFFAOYSA-N 1 1 179.267 1.391 10 30 ADEEMO C=C(C)C[N@H+](C)[C@@H]1CCN(C2CC2)C1 600727062 346916490 /nfs/dbraw/zinc/91/64/90/346916490.db2.gz HZMKWHPZQBOEFM-GFCCVEGCSA-N 1 1 194.322 1.731 10 30 ADEEMO C=C(C)CN(C)[C@@H]1CC[N@@H+](C2CC2)C1 600727062 346916492 /nfs/dbraw/zinc/91/64/92/346916492.db2.gz HZMKWHPZQBOEFM-GFCCVEGCSA-N 1 1 194.322 1.731 10 30 ADEEMO C=C(C)CN(C)[C@@H]1CC[N@H+](C2CC2)C1 600727062 346916494 /nfs/dbraw/zinc/91/64/94/346916494.db2.gz HZMKWHPZQBOEFM-GFCCVEGCSA-N 1 1 194.322 1.731 10 30 ADEEMO C=C(C)CN(C)[C@H]1CC[N@H+](C2CC2)C1 600727073 346916731 /nfs/dbraw/zinc/91/67/31/346916731.db2.gz HZMKWHPZQBOEFM-LBPRGKRZSA-N 1 1 194.322 1.731 10 30 ADEEMO C=C(C)C[N@H+](C)[C@H]1CCN(C2CC2)C1 600727073 346916728 /nfs/dbraw/zinc/91/67/28/346916728.db2.gz HZMKWHPZQBOEFM-LBPRGKRZSA-N 1 1 194.322 1.731 10 30 ADEEMO C=C(C)CN(C)[C@H]1CC[N@@H+](C2CC2)C1 600727073 346916730 /nfs/dbraw/zinc/91/67/30/346916730.db2.gz HZMKWHPZQBOEFM-LBPRGKRZSA-N 1 1 194.322 1.731 10 30 ADEEMO CC(C)(F)C[NH2+]C[C@@H](C#N)CCC#N 601938772 346926987 /nfs/dbraw/zinc/92/69/87/346926987.db2.gz ZWPFMZFEFKTBMQ-SECBINFHSA-N 1 1 197.257 1.768 10 30 ADEEMO CC(C)(F)C[NH2+]C[C@H](C#N)CCC#N 601938792 346927550 /nfs/dbraw/zinc/92/75/50/346927550.db2.gz ZWPFMZFEFKTBMQ-VIFPVBQESA-N 1 1 197.257 1.768 10 30 ADEEMO CC(C)(F)C[NH2+]CCC#N 601969064 346928060 /nfs/dbraw/zinc/92/80/60/346928060.db2.gz SHIAIRXWJNNONL-UHFFFAOYSA-N 1 1 144.193 1.238 10 30 ADEEMO COCC[N@@H+](C)C[C@@H](C)CCC#N 602436887 346931769 /nfs/dbraw/zinc/93/17/69/346931769.db2.gz ABOKRSYIFAWPHP-JTQLQIEISA-N 1 1 184.283 1.504 10 30 ADEEMO COCC[N@@H+](C)C[C@H](C)CCC#N 602436888 346931904 /nfs/dbraw/zinc/93/19/04/346931904.db2.gz ABOKRSYIFAWPHP-SNVBAGLBSA-N 1 1 184.283 1.504 10 30 ADEEMO CCC[C@@H](C[N@H+](C)C[C@@H](C)C#N)OC 602446566 346931976 /nfs/dbraw/zinc/93/19/76/346931976.db2.gz GYCXRBTWPRYDLP-QWRGUYRKSA-N 1 1 198.310 1.893 10 30 ADEEMO CCC[C@@H](C[N@@H+](C)C[C@@H](C)C#N)OC 602446566 346931977 /nfs/dbraw/zinc/93/19/77/346931977.db2.gz GYCXRBTWPRYDLP-QWRGUYRKSA-N 1 1 198.310 1.893 10 30 ADEEMO CC[N@@H+](CCOC)C[C@@H](C)CCC#N 602438799 346932068 /nfs/dbraw/zinc/93/20/68/346932068.db2.gz BQIZAAMUVGVBCO-NSHDSACASA-N 1 1 198.310 1.895 10 30 ADEEMO CCC[C@@H](C[N@H+](C)C[C@H](C)C#N)OC 602446565 346932103 /nfs/dbraw/zinc/93/21/03/346932103.db2.gz GYCXRBTWPRYDLP-MNOVXSKESA-N 1 1 198.310 1.893 10 30 ADEEMO CCC[C@@H](C[N@@H+](C)C[C@H](C)C#N)OC 602446565 346932105 /nfs/dbraw/zinc/93/21/05/346932105.db2.gz GYCXRBTWPRYDLP-MNOVXSKESA-N 1 1 198.310 1.893 10 30 ADEEMO CC[N@@H+](CCOC)C[C@H](C)CCC#N 602438797 346932206 /nfs/dbraw/zinc/93/22/06/346932206.db2.gz BQIZAAMUVGVBCO-LLVKDONJSA-N 1 1 198.310 1.895 10 30 ADEEMO CCC[C@H](C[N@H+](C)C[C@H](C)C#N)OC 602446564 346932263 /nfs/dbraw/zinc/93/22/63/346932263.db2.gz GYCXRBTWPRYDLP-GHMZBOCLSA-N 1 1 198.310 1.893 10 30 ADEEMO CCC[C@H](C[N@@H+](C)C[C@H](C)C#N)OC 602446564 346932264 /nfs/dbraw/zinc/93/22/64/346932264.db2.gz GYCXRBTWPRYDLP-GHMZBOCLSA-N 1 1 198.310 1.893 10 30 ADEEMO CCC[C@H](C[N@H+](C)C[C@@H](C)C#N)OC 602446567 346932336 /nfs/dbraw/zinc/93/23/36/346932336.db2.gz GYCXRBTWPRYDLP-WDEREUQCSA-N 1 1 198.310 1.893 10 30 ADEEMO CCC[C@H](C[N@@H+](C)C[C@@H](C)C#N)OC 602446567 346932338 /nfs/dbraw/zinc/93/23/38/346932338.db2.gz GYCXRBTWPRYDLP-WDEREUQCSA-N 1 1 198.310 1.893 10 30 ADEEMO C[C@@H](CCC#N)C[N@H+]1CCCOCC1 602451373 346932637 /nfs/dbraw/zinc/93/26/37/346932637.db2.gz GJWMKQOIDZSGJM-NSHDSACASA-N 1 1 196.294 1.649 10 30 ADEEMO CO[C@H]1CC[N@@H+](C[C@H](C)CCC#N)C1 602472407 346932843 /nfs/dbraw/zinc/93/28/43/346932843.db2.gz GBULNHRPDVJEBQ-MNOVXSKESA-N 1 1 196.294 1.647 10 30 ADEEMO CO[C@H]1CC[N@@H+](C[C@@H](C)CCC#N)C1 602472408 346933115 /nfs/dbraw/zinc/93/31/15/346933115.db2.gz GBULNHRPDVJEBQ-QWRGUYRKSA-N 1 1 196.294 1.647 10 30 ADEEMO C[C@H](CCC#N)C[N@H+]1CCCOCC1 602451371 346933170 /nfs/dbraw/zinc/93/31/70/346933170.db2.gz GJWMKQOIDZSGJM-LLVKDONJSA-N 1 1 196.294 1.649 10 30 ADEEMO C=CC[N@@H+](C)Cc1cccc(C#N)n1 602620794 346938336 /nfs/dbraw/zinc/93/83/36/346938336.db2.gz GMRRNBHUVVJOAW-UHFFFAOYSA-N 1 1 187.246 1.571 10 30 ADEEMO C=CC[N@H+](C)Cc1cccc(C#N)n1 602620794 346938339 /nfs/dbraw/zinc/93/83/39/346938339.db2.gz GMRRNBHUVVJOAW-UHFFFAOYSA-N 1 1 187.246 1.571 10 30 ADEEMO CO[C@@H](C)C[N@@H+](C)C[C@H](C)CCC#N 602652688 346938735 /nfs/dbraw/zinc/93/87/35/346938735.db2.gz DWOAZFWIBHQBAV-MNOVXSKESA-N 1 1 198.310 1.893 10 30 ADEEMO CO[C@@H](C)C[N@@H+](C)C[C@@H](C)CCC#N 602652689 346938793 /nfs/dbraw/zinc/93/87/93/346938793.db2.gz DWOAZFWIBHQBAV-QWRGUYRKSA-N 1 1 198.310 1.893 10 30 ADEEMO CO[C@H](C)C[N@@H+](C)C[C@@H](C)CCC#N 602652691 346938905 /nfs/dbraw/zinc/93/89/05/346938905.db2.gz DWOAZFWIBHQBAV-WDEREUQCSA-N 1 1 198.310 1.893 10 30 ADEEMO CO[C@H](C)C[N@@H+](C)C[C@H](C)CCC#N 602652686 346938964 /nfs/dbraw/zinc/93/89/64/346938964.db2.gz DWOAZFWIBHQBAV-GHMZBOCLSA-N 1 1 198.310 1.893 10 30 ADEEMO C[C@@H](CCC#N)C[N@@H+]1C[C@H]2C[C@H]2C1 602720433 346941431 /nfs/dbraw/zinc/94/14/31/346941431.db2.gz GPTGKUUIDKCMKL-GARJFASQSA-N 1 1 178.279 1.878 10 30 ADEEMO N#Cc1cccc(C[N@@H+]2C[C@H]3C[C@H]3C2)n1 602720194 346941464 /nfs/dbraw/zinc/94/14/64/346941464.db2.gz DKAOPLYSFWVRDT-AOOOYVTPSA-N 1 1 199.257 1.405 10 30 ADEEMO C[C@H](CCC#N)C[N@@H+]1C[C@H]2C[C@H]2C1 602720435 346941649 /nfs/dbraw/zinc/94/16/49/346941649.db2.gz GPTGKUUIDKCMKL-MXWKQRLJSA-N 1 1 178.279 1.878 10 30 ADEEMO C=C(C)C[C@H]([NH2+]C(C)C)C(=O)OC 602735137 346942103 /nfs/dbraw/zinc/94/21/03/346942103.db2.gz SSUQILJHTVCGTA-VIFPVBQESA-N 1 1 185.267 1.492 10 30 ADEEMO C=C(C)C[C@@H]([NH2+]CC(C)C)C(=O)OC 602732356 346942236 /nfs/dbraw/zinc/94/22/36/346942236.db2.gz AYLIPKWDFYICMH-SNVBAGLBSA-N 1 1 199.294 1.740 10 30 ADEEMO C=C(C)C[N@H+](CC)CCN(C#N)CC 602758964 346942394 /nfs/dbraw/zinc/94/23/94/346942394.db2.gz IMGYGEFMDWVCII-UHFFFAOYSA-N 1 1 195.310 1.687 10 30 ADEEMO C=C(C)C[C@@H]([NH2+]C(C)C)C(=O)OC 602735127 346942646 /nfs/dbraw/zinc/94/26/46/346942646.db2.gz SSUQILJHTVCGTA-SECBINFHSA-N 1 1 185.267 1.492 10 30 ADEEMO C=C(C)C[C@H]([NH2+]CC(C)C)C(=O)OC 602732355 346942833 /nfs/dbraw/zinc/94/28/33/346942833.db2.gz AYLIPKWDFYICMH-JTQLQIEISA-N 1 1 199.294 1.740 10 30 ADEEMO C=CC[NH+](CC=C)CCN(C#N)CC 602764772 346942954 /nfs/dbraw/zinc/94/29/54/346942954.db2.gz WVSFYJOCQBIGST-UHFFFAOYSA-N 1 1 193.294 1.463 10 30 ADEEMO C=C1CC[NH+](CCN(C#N)CC)CC1 602775643 346943553 /nfs/dbraw/zinc/94/35/53/346943553.db2.gz LILGJCQADIIVJV-UHFFFAOYSA-N 1 1 193.294 1.441 10 30 ADEEMO C=CCCC[N@H+](C)CCN(C#N)CC 602779528 346943868 /nfs/dbraw/zinc/94/38/68/346943868.db2.gz NLUXWSAOCFKXQW-UHFFFAOYSA-N 1 1 195.310 1.687 10 30 ADEEMO C=CC[N@H+](CCN(C#N)CC)C1CC1 602798970 346944370 /nfs/dbraw/zinc/94/43/70/346944370.db2.gz PAXVQDUXWNOLQU-UHFFFAOYSA-N 1 1 193.294 1.440 10 30 ADEEMO C=C(C)C[N@H+](C)CCN(C#N)CC 602799725 346944502 /nfs/dbraw/zinc/94/45/02/346944502.db2.gz FEXNADMYXNHCCH-UHFFFAOYSA-N 1 1 181.283 1.297 10 30 ADEEMO C=CCC[N@H+](C)CCN(C#N)CC 602814724 346945541 /nfs/dbraw/zinc/94/55/41/346945541.db2.gz GSATXEJKSNHHOU-UHFFFAOYSA-N 1 1 181.283 1.297 10 30 ADEEMO C[C@H](CCC#N)[N@@H+]1CC[C@@H](N(C)C)C1 602890088 346947715 /nfs/dbraw/zinc/94/77/15/346947715.db2.gz LTYBOJYWOWXDJB-GHMZBOCLSA-N 1 1 195.310 1.315 10 30 ADEEMO C[C@@H](CCC#N)[N@@H+]1CC[C@@H](N(C)C)C1 602890091 346947693 /nfs/dbraw/zinc/94/76/93/346947693.db2.gz LTYBOJYWOWXDJB-WDEREUQCSA-N 1 1 195.310 1.315 10 30 ADEEMO C[C@@H](CCC#N)[N@H+]1CC[C@@H](N(C)C)C1 602890091 346947695 /nfs/dbraw/zinc/94/76/95/346947695.db2.gz LTYBOJYWOWXDJB-WDEREUQCSA-N 1 1 195.310 1.315 10 30 ADEEMO C[C@H](CCC#N)[N@@H+]1CC[C@H](N(C)C)C1 602890089 346947702 /nfs/dbraw/zinc/94/77/02/346947702.db2.gz LTYBOJYWOWXDJB-MNOVXSKESA-N 1 1 195.310 1.315 10 30 ADEEMO C[C@H](CCC#N)[N@H+]1CC[C@H](N(C)C)C1 602890089 346947705 /nfs/dbraw/zinc/94/77/05/346947705.db2.gz LTYBOJYWOWXDJB-MNOVXSKESA-N 1 1 195.310 1.315 10 30 ADEEMO C[C@H](CCC#N)[N@H+]1CC[C@@H](N(C)C)C1 602890088 346947717 /nfs/dbraw/zinc/94/77/17/346947717.db2.gz LTYBOJYWOWXDJB-GHMZBOCLSA-N 1 1 195.310 1.315 10 30 ADEEMO C[C@@H](CCC#N)[N@@H+]1CC[C@H](N(C)C)C1 602890090 346947793 /nfs/dbraw/zinc/94/77/93/346947793.db2.gz LTYBOJYWOWXDJB-QWRGUYRKSA-N 1 1 195.310 1.315 10 30 ADEEMO C[C@@H](CCC#N)[N@H+]1CC[C@H](N(C)C)C1 602890090 346947795 /nfs/dbraw/zinc/94/77/95/346947795.db2.gz LTYBOJYWOWXDJB-QWRGUYRKSA-N 1 1 195.310 1.315 10 30 ADEEMO C=CC[N@@H+](C)[C@@H]1CCC[C@H]1C#N 602975076 346948214 /nfs/dbraw/zinc/94/82/14/346948214.db2.gz YGJDWAVGIZBKPT-VHSXEESVSA-N 1 1 164.252 1.796 10 30 ADEEMO C=CC[N@H+](C)[C@@H]1CCC[C@H]1C#N 602975076 346948217 /nfs/dbraw/zinc/94/82/17/346948217.db2.gz YGJDWAVGIZBKPT-VHSXEESVSA-N 1 1 164.252 1.796 10 30 ADEEMO C[C@@H]1C[C@H](O)CC[N@H+]1CC1(C#N)CC1 602930231 346948282 /nfs/dbraw/zinc/94/82/82/346948282.db2.gz KSUSJSXWZNJMES-NXEZZACHSA-N 1 1 194.278 1.135 10 30 ADEEMO C=CC[N@@H+](C)[C@H]1CCC[C@H]1C#N 602975075 346948316 /nfs/dbraw/zinc/94/83/16/346948316.db2.gz YGJDWAVGIZBKPT-UWVGGRQHSA-N 1 1 164.252 1.796 10 30 ADEEMO C=CC[N@H+](C)[C@H]1CCC[C@H]1C#N 602975075 346948318 /nfs/dbraw/zinc/94/83/18/346948318.db2.gz YGJDWAVGIZBKPT-UWVGGRQHSA-N 1 1 164.252 1.796 10 30 ADEEMO C[C@@H]1C[C@H](O)CC[N@H+]1CCCCC#N 602930463 346948718 /nfs/dbraw/zinc/94/87/18/346948718.db2.gz LTXQTIGXUSZXPZ-GHMZBOCLSA-N 1 1 196.294 1.525 10 30 ADEEMO C=CC[N@@H+](C)[C@@H]1CCC[C@@H]1C#N 602975074 346948785 /nfs/dbraw/zinc/94/87/85/346948785.db2.gz YGJDWAVGIZBKPT-NXEZZACHSA-N 1 1 164.252 1.796 10 30 ADEEMO C=CC[N@H+](C)[C@@H]1CCC[C@@H]1C#N 602975074 346948789 /nfs/dbraw/zinc/94/87/89/346948789.db2.gz YGJDWAVGIZBKPT-NXEZZACHSA-N 1 1 164.252 1.796 10 30 ADEEMO C[N@@H+](CCCF)[C@H]1CCC[C@H]1C#N 602978058 346949163 /nfs/dbraw/zinc/94/91/63/346949163.db2.gz KZMTZAPFZNCKGZ-UWVGGRQHSA-N 1 1 184.258 1.970 10 30 ADEEMO C[N@@H+](CCCF)[C@H]1CCC[C@@H]1C#N 602978060 346949213 /nfs/dbraw/zinc/94/92/13/346949213.db2.gz KZMTZAPFZNCKGZ-ZJUUUORDSA-N 1 1 184.258 1.970 10 30 ADEEMO CC[N@@H+](CCCC#N)C[C@H]1CCOC1 603854334 346958960 /nfs/dbraw/zinc/95/89/60/346958960.db2.gz GFDUSQTWEWVJHZ-LLVKDONJSA-N 1 1 196.294 1.649 10 30 ADEEMO CC[N@@H+](CCCC#N)C[C@@H]1CCOC1 603854336 346959576 /nfs/dbraw/zinc/95/95/76/346959576.db2.gz GFDUSQTWEWVJHZ-NSHDSACASA-N 1 1 196.294 1.649 10 30 ADEEMO C=CCCC[N@H+](C)[C@@H](C)COC 605149918 346968230 /nfs/dbraw/zinc/96/82/30/346968230.db2.gz QBKHWKUDJBGODI-JTQLQIEISA-N 1 1 171.284 1.919 10 30 ADEEMO C=CCCC[N@H+](C)[C@H](C)COC 605149919 346968520 /nfs/dbraw/zinc/96/85/20/346968520.db2.gz QBKHWKUDJBGODI-SNVBAGLBSA-N 1 1 171.284 1.919 10 30 ADEEMO C=CCCC[N@H+](C)[C@H]1CCOC1 605150772 346969178 /nfs/dbraw/zinc/96/91/78/346969178.db2.gz AJOONOAHKHMHII-JTQLQIEISA-N 1 1 169.268 1.673 10 30 ADEEMO C=CCCC[N@H+](C)[C@@H]1CCOC1 605150773 346969223 /nfs/dbraw/zinc/96/92/23/346969223.db2.gz AJOONOAHKHMHII-SNVBAGLBSA-N 1 1 169.268 1.673 10 30 ADEEMO C=CCCC[N@@H+]1CCC[C@@H](N(C)C)C1 605150785 346969241 /nfs/dbraw/zinc/96/92/41/346969241.db2.gz CTLJAGVCGGCZGA-GFCCVEGCSA-N 1 1 196.338 1.979 10 30 ADEEMO C=CCCCN1CCC[C@@H]([NH+](C)C)C1 605150785 346969244 /nfs/dbraw/zinc/96/92/44/346969244.db2.gz CTLJAGVCGGCZGA-GFCCVEGCSA-N 1 1 196.338 1.979 10 30 ADEEMO C=CCCC[N@H+]1CC[C@H](CN(C)C)C1 605150914 346969280 /nfs/dbraw/zinc/96/92/80/346969280.db2.gz BWEZVDUGWVGDCS-GFCCVEGCSA-N 1 1 196.338 1.836 10 30 ADEEMO C=CCCC[N@@H+]1CC[C@H](CN(C)C)C1 605150914 346969281 /nfs/dbraw/zinc/96/92/81/346969281.db2.gz BWEZVDUGWVGDCS-GFCCVEGCSA-N 1 1 196.338 1.836 10 30 ADEEMO C=CCCCN1CCC([NH+](C)C)CC1 605186720 346969784 /nfs/dbraw/zinc/96/97/84/346969784.db2.gz JOUXNPKDIAMGLD-UHFFFAOYSA-N 1 1 196.338 1.979 10 30 ADEEMO C=CCCC[NH+]1CCC(N(C)C)CC1 605186720 346969788 /nfs/dbraw/zinc/96/97/88/346969788.db2.gz JOUXNPKDIAMGLD-UHFFFAOYSA-N 1 1 196.338 1.979 10 30 ADEEMO C=CCCC[N@H+](C)[C@@H]1CCN(C)C1=O 605740664 346972482 /nfs/dbraw/zinc/97/24/82/346972482.db2.gz CUHZJRCNJJLKGF-SNVBAGLBSA-N 1 1 196.294 1.115 10 30 ADEEMO C=CCCC[N@H+](C)CCn1cncn1 605737699 346972625 /nfs/dbraw/zinc/97/26/25/346972625.db2.gz PLTPXRAISQMSSE-UHFFFAOYSA-N 1 1 194.282 1.176 10 30 ADEEMO C=CCCC[N@H+](C)[C@H]1CCN(C)C1=O 605740663 346972682 /nfs/dbraw/zinc/97/26/82/346972682.db2.gz CUHZJRCNJJLKGF-JTQLQIEISA-N 1 1 196.294 1.115 10 30 ADEEMO C=CCCC[N@H+](C)CCC(=O)NCC 605738775 346972727 /nfs/dbraw/zinc/97/27/27/346972727.db2.gz SRNNORVEVNKJDI-UHFFFAOYSA-N 1 1 198.310 1.411 10 30 ADEEMO C=CCCC[N@H+](C)CC(=O)NCC=C 605740683 346972819 /nfs/dbraw/zinc/97/28/19/346972819.db2.gz LSQZTEQYCNSBFS-UHFFFAOYSA-N 1 1 196.294 1.187 10 30 ADEEMO C=CCCC[N@H+](C)CC(=O)N(C)CC 605737635 346972962 /nfs/dbraw/zinc/97/29/62/346972962.db2.gz MNASSLIRBRLSKY-UHFFFAOYSA-N 1 1 198.310 1.363 10 30 ADEEMO C=CCCC[N@H+](C)CC(=O)N1CCC1 605743134 346973318 /nfs/dbraw/zinc/97/33/18/346973318.db2.gz UZMMWGWRGBPNLV-UHFFFAOYSA-N 1 1 196.294 1.117 10 30 ADEEMO C=CCCC[N@H+](C)CCC(=O)N(C)C 605740748 346973584 /nfs/dbraw/zinc/97/35/84/346973584.db2.gz WVMPOWASEGRORN-UHFFFAOYSA-N 1 1 198.310 1.363 10 30 ADEEMO N#CCC[N@@H+]1CCC12CCOCC2 606255011 346975026 /nfs/dbraw/zinc/97/50/26/346975026.db2.gz XGBFXPODKFMXOS-UHFFFAOYSA-N 1 1 180.251 1.155 10 30 ADEEMO N#CCC[N@H+]1CCC12CCOCC2 606255011 346975030 /nfs/dbraw/zinc/97/50/30/346975030.db2.gz XGBFXPODKFMXOS-UHFFFAOYSA-N 1 1 180.251 1.155 10 30 ADEEMO C=CCC[NH+]1CCN(CC(C)C)CC1 606896258 346984690 /nfs/dbraw/zinc/98/46/90/346984690.db2.gz CVZPCCACBFQHLF-UHFFFAOYSA-N 1 1 196.338 1.836 10 30 ADEEMO C=CCC[N@H+](C)CC(=O)NC(C)(C)C 606896327 346984948 /nfs/dbraw/zinc/98/49/48/346984948.db2.gz HQLPVIIZIWXWCO-UHFFFAOYSA-N 1 1 198.310 1.409 10 30 ADEEMO C=CCC[N@H+](C)Cc1cnn(C)c1 606896293 346984957 /nfs/dbraw/zinc/98/49/57/346984957.db2.gz FKXIRDKXYMUTQP-UHFFFAOYSA-N 1 1 179.267 1.428 10 30 ADEEMO C=CCC[N@H+](CCC)CC(=O)N(C)C 606897009 346985296 /nfs/dbraw/zinc/98/52/96/346985296.db2.gz DXXCOQFYJMSBIT-UHFFFAOYSA-N 1 1 198.310 1.363 10 30 ADEEMO C=CCC[N@H+](C)[C@@H]1CCN(C2CC2)C1 606897439 346985355 /nfs/dbraw/zinc/98/53/55/346985355.db2.gz HUTAAAHXAJXAKA-GFCCVEGCSA-N 1 1 194.322 1.731 10 30 ADEEMO C=CCCN(C)[C@@H]1CC[N@@H+](C2CC2)C1 606897439 346985359 /nfs/dbraw/zinc/98/53/59/346985359.db2.gz HUTAAAHXAJXAKA-GFCCVEGCSA-N 1 1 194.322 1.731 10 30 ADEEMO C=CCCN(C)[C@@H]1CC[N@H+](C2CC2)C1 606897439 346985361 /nfs/dbraw/zinc/98/53/61/346985361.db2.gz HUTAAAHXAJXAKA-GFCCVEGCSA-N 1 1 194.322 1.731 10 30 ADEEMO C=CCC[N@@H+]1C[C@@H](C(N)=O)CC[C@H]1C 606897831 346985376 /nfs/dbraw/zinc/98/53/76/346985376.db2.gz FYPLTLNGNDHDJJ-ZJUUUORDSA-N 1 1 196.294 1.148 10 30 ADEEMO C=CCC[N@H+](C)[C@H]1CCOC1 606897397 346985388 /nfs/dbraw/zinc/98/53/88/346985388.db2.gz DNYYLHILXVNOAM-VIFPVBQESA-N 1 1 155.241 1.283 10 30 ADEEMO C=CCC[N@H+](C)[C@H]1CCN(C2CC2)C1 606897440 346985417 /nfs/dbraw/zinc/98/54/17/346985417.db2.gz HUTAAAHXAJXAKA-LBPRGKRZSA-N 1 1 194.322 1.731 10 30 ADEEMO C=CCCN(C)[C@H]1CC[N@@H+](C2CC2)C1 606897440 346985421 /nfs/dbraw/zinc/98/54/21/346985421.db2.gz HUTAAAHXAJXAKA-LBPRGKRZSA-N 1 1 194.322 1.731 10 30 ADEEMO C=CCCN(C)[C@H]1CC[N@H+](C2CC2)C1 606897440 346985423 /nfs/dbraw/zinc/98/54/23/346985423.db2.gz HUTAAAHXAJXAKA-LBPRGKRZSA-N 1 1 194.322 1.731 10 30 ADEEMO C=CCC[N@H+](C)[C@@H]1CCOC1 606897392 346985577 /nfs/dbraw/zinc/98/55/77/346985577.db2.gz DNYYLHILXVNOAM-SECBINFHSA-N 1 1 155.241 1.283 10 30 ADEEMO C=CCC[N@@H+]1CCCC[C@@H]1CC(N)=O 606897403 346985622 /nfs/dbraw/zinc/98/56/22/346985622.db2.gz ULHDJJPPGFHKSE-SNVBAGLBSA-N 1 1 196.294 1.292 10 30 ADEEMO C=CCC[N@@H+]1C[C@H](C(N)=O)CC[C@@H]1C 606897830 346985714 /nfs/dbraw/zinc/98/57/14/346985714.db2.gz FYPLTLNGNDHDJJ-VHSXEESVSA-N 1 1 196.294 1.148 10 30 ADEEMO C=CCC[N@H+](C)CCn1cccn1 606897358 346985724 /nfs/dbraw/zinc/98/57/24/346985724.db2.gz CCZTWKGTTJRWCE-UHFFFAOYSA-N 1 1 179.267 1.391 10 30 ADEEMO C=CCC[N@@H+]1C[C@H](C(N)=O)CC[C@H]1C 606897828 346985726 /nfs/dbraw/zinc/98/57/26/346985726.db2.gz FYPLTLNGNDHDJJ-NXEZZACHSA-N 1 1 196.294 1.148 10 30 ADEEMO C=CCC[N@@H+]1CCCC[C@H]1CC(N)=O 606897402 346985757 /nfs/dbraw/zinc/98/57/57/346985757.db2.gz ULHDJJPPGFHKSE-JTQLQIEISA-N 1 1 196.294 1.292 10 30 ADEEMO C=CCC[N@@H+](C)Cc1nnc(C)n1C 606935511 346987367 /nfs/dbraw/zinc/98/73/67/346987367.db2.gz QZPXCFDTRQGDEM-UHFFFAOYSA-N 1 1 194.282 1.131 10 30 ADEEMO C=CCC[N@H+](C)Cc1nnc(C)n1C 606935511 346987368 /nfs/dbraw/zinc/98/73/68/346987368.db2.gz QZPXCFDTRQGDEM-UHFFFAOYSA-N 1 1 194.282 1.131 10 30 ADEEMO CC#CC[N@@H+](C)[C@@H](C)C1CC1 607724241 346991824 /nfs/dbraw/zinc/99/18/24/346991824.db2.gz IENYCZZLAFNLGH-VIFPVBQESA-N 1 1 151.253 1.740 10 30 ADEEMO CC#CC[N@@H+](C)[C@H](C)C1CC1 607724240 346991532 /nfs/dbraw/zinc/99/15/32/346991532.db2.gz IENYCZZLAFNLGH-SECBINFHSA-N 1 1 151.253 1.740 10 30 ADEEMO CC#CC[N@H+]1CCCC[C@@H]1C 607723811 346991738 /nfs/dbraw/zinc/99/17/38/346991738.db2.gz CAXWWTSASOVMGC-JTQLQIEISA-N 1 1 151.253 1.884 10 30 ADEEMO CC#CC[N@H+]1CCCC[C@H]1C 607723812 346991909 /nfs/dbraw/zinc/99/19/09/346991909.db2.gz CAXWWTSASOVMGC-SNVBAGLBSA-N 1 1 151.253 1.884 10 30 ADEEMO CC#CC[N@@H+](C[C@@H]1CCOC1)C1CC1 607726609 346992574 /nfs/dbraw/zinc/99/25/74/346992574.db2.gz BUTNVMDVMIWBKL-NSHDSACASA-N 1 1 193.290 1.511 10 30 ADEEMO CC#CC[N@@H+](C[C@H]1CCOC1)C1CC1 607726608 346992830 /nfs/dbraw/zinc/99/28/30/346992830.db2.gz BUTNVMDVMIWBKL-LLVKDONJSA-N 1 1 193.290 1.511 10 30 ADEEMO CC#CC[N@H+](C)C[C@H](C)CC 607731559 346993749 /nfs/dbraw/zinc/99/37/49/346993749.db2.gz DNANFJVWHJOFCY-SNVBAGLBSA-N 1 1 153.269 1.988 10 30 ADEEMO CC#CC[N@H+](C)C[C@@H](C)CC 607731558 346993822 /nfs/dbraw/zinc/99/38/22/346993822.db2.gz DNANFJVWHJOFCY-JTQLQIEISA-N 1 1 153.269 1.988 10 30 ADEEMO C=CCCC[N@H+](C)CC#CC 607735113 346994243 /nfs/dbraw/zinc/99/42/43/346994243.db2.gz FMGQDYZVMRVORU-UHFFFAOYSA-N 1 1 151.253 1.908 10 30 ADEEMO CC#CC[N@@H+]1CCC[C@@H](COCC)C1 607732250 346994400 /nfs/dbraw/zinc/99/44/00/346994400.db2.gz DYSPRGFTIPCPMZ-GFCCVEGCSA-N 1 1 195.306 1.758 10 30 ADEEMO CC#CC[N@@H+](C)CC1CCC1 607731876 346994416 /nfs/dbraw/zinc/99/44/16/346994416.db2.gz CCGMJLIVBOPRRC-UHFFFAOYSA-N 1 1 151.253 1.742 10 30 ADEEMO CC#CC[N@H+](CC)C1CCC1 607735092 346994428 /nfs/dbraw/zinc/99/44/28/346994428.db2.gz BUIDJLXAVDNKDH-UHFFFAOYSA-N 1 1 151.253 1.884 10 30 ADEEMO CC#CC[N@@H+]1CCC[C@H](COCC)C1 607732251 346994499 /nfs/dbraw/zinc/99/44/99/346994499.db2.gz DYSPRGFTIPCPMZ-LBPRGKRZSA-N 1 1 195.306 1.758 10 30 ADEEMO CC#CC[N@H+](CC)C[C@H]1CCOC1 607732385 346994508 /nfs/dbraw/zinc/99/45/08/346994508.db2.gz BUEVRLQHWUBURE-LLVKDONJSA-N 1 1 181.279 1.368 10 30 ADEEMO CC#CC[N@@H+](C)Cc1cnn(CC)c1 607732248 346994621 /nfs/dbraw/zinc/99/46/21/346994621.db2.gz DPYFWPQRFAUMCN-UHFFFAOYSA-N 1 1 191.278 1.358 10 30 ADEEMO CC#CC[N@H+](C)Cc1cnn(CC)c1 607732248 346994622 /nfs/dbraw/zinc/99/46/22/346994622.db2.gz DPYFWPQRFAUMCN-UHFFFAOYSA-N 1 1 191.278 1.358 10 30 ADEEMO CC#CC[N@H+]1CC(C)(C)OCC1(C)C 607734504 346994653 /nfs/dbraw/zinc/99/46/53/346994653.db2.gz DXKROPYRXVOETC-UHFFFAOYSA-N 1 1 195.306 1.899 10 30 ADEEMO CC#CCN(C)[C@H]1CC[N@H+](C2CC2)C1 607731983 346994762 /nfs/dbraw/zinc/99/47/62/346994762.db2.gz YANHNQKMCVNDOP-LBPRGKRZSA-N 1 1 192.306 1.178 10 30 ADEEMO CC#CCN(C)[C@@H]1CC[N@H+](C2CC2)C1 607731982 346994818 /nfs/dbraw/zinc/99/48/18/346994818.db2.gz YANHNQKMCVNDOP-GFCCVEGCSA-N 1 1 192.306 1.178 10 30 ADEEMO C=CCC[N@H+](C)[C@H]1CCN(C)[C@@H](C)C1 607739249 346995260 /nfs/dbraw/zinc/99/52/60/346995260.db2.gz JTXYNCGJPOOAJX-RYUDHWBXSA-N 1 1 196.338 1.977 10 30 ADEEMO C=CCC[N@H+](C)[C@H]1CCN(C)[C@H](C)C1 607739247 346995447 /nfs/dbraw/zinc/99/54/47/346995447.db2.gz JTXYNCGJPOOAJX-NEPJUHHUSA-N 1 1 196.338 1.977 10 30 ADEEMO C=CCC[N@H+](C)[C@@H]1CCN(C)[C@H](C)C1 607739250 346995495 /nfs/dbraw/zinc/99/54/95/346995495.db2.gz JTXYNCGJPOOAJX-VXGBXAGGSA-N 1 1 196.338 1.977 10 30 ADEEMO CC#CC[N@H+](C[C@@H](C)OC)C(C)C 607735510 346995537 /nfs/dbraw/zinc/99/55/37/346995537.db2.gz FNPXZQUPCIJDFJ-LLVKDONJSA-N 1 1 183.295 1.755 10 30 ADEEMO CC#CC[N@@H+](C)CCCOC(C)C 607735514 346995570 /nfs/dbraw/zinc/99/55/70/346995570.db2.gz GBYNYPLQQKWUIC-UHFFFAOYSA-N 1 1 183.295 1.757 10 30 ADEEMO C=CCC[N@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 607739248 346995630 /nfs/dbraw/zinc/99/56/30/346995630.db2.gz JTXYNCGJPOOAJX-NWDGAFQWSA-N 1 1 196.338 1.977 10 30 ADEEMO CC#CC[N@@H+](C(C)C)C1CCOCC1 607735530 346995797 /nfs/dbraw/zinc/99/57/97/346995797.db2.gz IILXFHBHABVLOI-UHFFFAOYSA-N 1 1 195.306 1.899 10 30 ADEEMO CC#CC[N@H+](C[C@H](C)OC)C(C)C 607735511 346995819 /nfs/dbraw/zinc/99/58/19/346995819.db2.gz FNPXZQUPCIJDFJ-NSHDSACASA-N 1 1 183.295 1.755 10 30 ADEEMO C=CCC[N@H+](C)C[C@H](C)CO 608498234 347007046 /nfs/dbraw/zinc/00/70/46/347007046.db2.gz BFXSDPQWAPJEGB-VIFPVBQESA-N 1 1 157.257 1.123 10 30 ADEEMO C=C(C)C[N@H+](C)C[C@@H](C)CO 608498366 347007107 /nfs/dbraw/zinc/00/71/07/347007107.db2.gz JRBOEIGETWUZFG-SECBINFHSA-N 1 1 157.257 1.123 10 30 ADEEMO C=CCC[N@H+](C)C[C@@H](C)CO 608498233 347007144 /nfs/dbraw/zinc/00/71/44/347007144.db2.gz BFXSDPQWAPJEGB-SECBINFHSA-N 1 1 157.257 1.123 10 30 ADEEMO C=CCCC[N@H+](C)C[C@@H](C)CO 608498264 347007372 /nfs/dbraw/zinc/00/73/72/347007372.db2.gz DYODOCNPUVNTNO-SNVBAGLBSA-N 1 1 171.284 1.513 10 30 ADEEMO C=C(C)C[N@H+](C)C[C@H](C)CO 608498367 347007455 /nfs/dbraw/zinc/00/74/55/347007455.db2.gz JRBOEIGETWUZFG-VIFPVBQESA-N 1 1 157.257 1.123 10 30 ADEEMO C=CCCC[N@H+](C)C[C@H](C)CO 608498263 347007580 /nfs/dbraw/zinc/00/75/80/347007580.db2.gz DYODOCNPUVNTNO-JTQLQIEISA-N 1 1 171.284 1.513 10 30 ADEEMO CC#CC[N@H+]1C[C@H](C)S[C@H](C)C1 608502166 347009159 /nfs/dbraw/zinc/00/91/59/347009159.db2.gz FTUXOYNHMPBPOS-AOOOYVTPSA-N 1 1 183.320 1.836 10 30 ADEEMO C=CCC[N@H+]1CC[C@H](N(CC)CC)C1 608509946 347009682 /nfs/dbraw/zinc/00/96/82/347009682.db2.gz GRTVGUAWVZZBKR-LBPRGKRZSA-N 1 1 196.338 1.979 10 30 ADEEMO C=CCC[N@@H+]1CC[C@H](N(CC)CC)C1 608509946 347009684 /nfs/dbraw/zinc/00/96/84/347009684.db2.gz GRTVGUAWVZZBKR-LBPRGKRZSA-N 1 1 196.338 1.979 10 30 ADEEMO C=CCC[N@H+]1CC[C@@H](N(CC)CC)C1 608509945 347009851 /nfs/dbraw/zinc/00/98/51/347009851.db2.gz GRTVGUAWVZZBKR-GFCCVEGCSA-N 1 1 196.338 1.979 10 30 ADEEMO C=CCC[N@@H+]1CC[C@@H](N(CC)CC)C1 608509945 347009854 /nfs/dbraw/zinc/00/98/54/347009854.db2.gz GRTVGUAWVZZBKR-GFCCVEGCSA-N 1 1 196.338 1.979 10 30 ADEEMO C=CCCC[N@@H+](C)Cc1ncnn1C 608752480 347014108 /nfs/dbraw/zinc/01/41/08/347014108.db2.gz RBHLDWBUMNNNPH-UHFFFAOYSA-N 1 1 194.282 1.213 10 30 ADEEMO C=CCCC[N@H+](C)Cc1ncnn1C 608752480 347014110 /nfs/dbraw/zinc/01/41/10/347014110.db2.gz RBHLDWBUMNNNPH-UHFFFAOYSA-N 1 1 194.282 1.213 10 30 ADEEMO CC(C)[N@H+](CCCC#N)C[C@H](C)O 609324368 347017295 /nfs/dbraw/zinc/01/72/95/347017295.db2.gz YCQUSDRRCMREOB-JTQLQIEISA-N 1 1 184.283 1.381 10 30 ADEEMO C=C1CC[NH+]([C@@H](CC)C(=O)OC)CC1 609396756 347017302 /nfs/dbraw/zinc/01/73/02/347017302.db2.gz CWTBYMSQMBVHCC-JTQLQIEISA-N 1 1 197.278 1.590 10 30 ADEEMO C=C1CC[NH+]([C@H](CC)C(=O)OC)CC1 609396758 347017332 /nfs/dbraw/zinc/01/73/32/347017332.db2.gz CWTBYMSQMBVHCC-SNVBAGLBSA-N 1 1 197.278 1.590 10 30 ADEEMO CC(C)[N@H+](CCCCC#N)C[C@H](C)O 609324330 347017342 /nfs/dbraw/zinc/01/73/42/347017342.db2.gz HSQFZCXPKTXNKT-NSHDSACASA-N 1 1 198.310 1.771 10 30 ADEEMO CC(C)[N@H+](CCCCC#N)C[C@@H](C)O 609324329 347017591 /nfs/dbraw/zinc/01/75/91/347017591.db2.gz HSQFZCXPKTXNKT-LLVKDONJSA-N 1 1 198.310 1.771 10 30 ADEEMO CC(C)[N@H+](CCCC#N)C[C@@H](C)O 609324370 347017689 /nfs/dbraw/zinc/01/76/89/347017689.db2.gz YCQUSDRRCMREOB-SNVBAGLBSA-N 1 1 184.283 1.381 10 30 ADEEMO CC[C@H]1C[N@@H+](CCCC#N)C[C@@H](C)O1 609540865 347018830 /nfs/dbraw/zinc/01/88/30/347018830.db2.gz BAPWIKMKRUTAKZ-MNOVXSKESA-N 1 1 196.294 1.789 10 30 ADEEMO CC[C@@H]1C[N@@H+](CCCC#N)C[C@H](C)O1 609540867 347018842 /nfs/dbraw/zinc/01/88/42/347018842.db2.gz BAPWIKMKRUTAKZ-WDEREUQCSA-N 1 1 196.294 1.789 10 30 ADEEMO C[N@@H+](CCCCC#N)Cc1cc[nH]n1 609620443 347019260 /nfs/dbraw/zinc/01/92/60/347019260.db2.gz LEBDHTVCFVYGQF-UHFFFAOYSA-N 1 1 192.266 1.535 10 30 ADEEMO CC[C@H]1C[N@@H+](CCCC#N)C[C@H](C)O1 609540866 347019305 /nfs/dbraw/zinc/01/93/05/347019305.db2.gz BAPWIKMKRUTAKZ-QWRGUYRKSA-N 1 1 196.294 1.789 10 30 ADEEMO CC[C@@H]1C[N@@H+](CCCC#N)C[C@@H](C)O1 609540864 347019346 /nfs/dbraw/zinc/01/93/46/347019346.db2.gz BAPWIKMKRUTAKZ-GHMZBOCLSA-N 1 1 196.294 1.789 10 30 ADEEMO C=CC[N@H+]1CCC[C@H]1C(=O)OC(C)C 609895607 347020910 /nfs/dbraw/zinc/02/09/10/347020910.db2.gz QMOMLOVEWWDYSC-JTQLQIEISA-N 1 1 197.278 1.588 10 30 ADEEMO C=CC[N@@H+]1CCC[C@H]1C(=O)OC(C)C 609895607 347020913 /nfs/dbraw/zinc/02/09/13/347020913.db2.gz QMOMLOVEWWDYSC-JTQLQIEISA-N 1 1 197.278 1.588 10 30 ADEEMO C=CCC[N@H+](CCC(=O)OC)C(C)C 610078824 347021061 /nfs/dbraw/zinc/02/10/61/347021061.db2.gz GOFZPFWBPDTGFP-UHFFFAOYSA-N 1 1 199.294 1.836 10 30 ADEEMO C=CC[N@H+](CCC#N)C[C@H]1CCOC1 610079935 347021606 /nfs/dbraw/zinc/02/16/06/347021606.db2.gz FFWKUQVNCIXOQY-LLVKDONJSA-N 1 1 194.278 1.425 10 30 ADEEMO C=CC[N@@H+](CCC#N)C[C@H]1CCOC1 610079935 347021608 /nfs/dbraw/zinc/02/16/08/347021608.db2.gz FFWKUQVNCIXOQY-LLVKDONJSA-N 1 1 194.278 1.425 10 30 ADEEMO C[C@H]1COC[C@@H](C)[N@H+]1CCCCC#N 610133889 347021641 /nfs/dbraw/zinc/02/16/41/347021641.db2.gz HUSZGFHMONCVNT-PHIMTYICSA-N 1 1 196.294 1.789 10 30 ADEEMO C=CC[N@H+](CCC#N)C[C@@H]1CCOC1 610079936 347021828 /nfs/dbraw/zinc/02/18/28/347021828.db2.gz FFWKUQVNCIXOQY-NSHDSACASA-N 1 1 194.278 1.425 10 30 ADEEMO C=CC[N@@H+](CCC#N)C[C@@H]1CCOC1 610079936 347021830 /nfs/dbraw/zinc/02/18/30/347021830.db2.gz FFWKUQVNCIXOQY-NSHDSACASA-N 1 1 194.278 1.425 10 30 ADEEMO C=CCCC[N@H+](C)[C@@H](CC)C(=O)OC 610391618 347024644 /nfs/dbraw/zinc/02/46/44/347024644.db2.gz VYOCLXDOWFFBDT-JTQLQIEISA-N 1 1 199.294 1.836 10 30 ADEEMO C=CCCC[N@H+](C)[C@H](CC)C(=O)OC 610391619 347024654 /nfs/dbraw/zinc/02/46/54/347024654.db2.gz VYOCLXDOWFFBDT-SNVBAGLBSA-N 1 1 199.294 1.836 10 30 ADEEMO C[N@H+](CCCC#N)Cc1cnccn1 610432555 347025086 /nfs/dbraw/zinc/02/50/86/347025086.db2.gz CSJLVWBSFZRLJE-UHFFFAOYSA-N 1 1 190.250 1.212 10 30 ADEEMO C[N@@H+](CCCC#N)Cc1cnccn1 610432555 347025089 /nfs/dbraw/zinc/02/50/89/347025089.db2.gz CSJLVWBSFZRLJE-UHFFFAOYSA-N 1 1 190.250 1.212 10 30 ADEEMO CCOC[C@H]1CC[N@@H+](CCCC#N)C1 610485311 347025638 /nfs/dbraw/zinc/02/56/38/347025638.db2.gz CBDJVYLPBRWTQP-NSHDSACASA-N 1 1 196.294 1.649 10 30 ADEEMO CCOCC[N@H+](CCC#N)CC1CC1 610485261 347025760 /nfs/dbraw/zinc/02/57/60/347025760.db2.gz GCLKIPSGIPFNRW-UHFFFAOYSA-N 1 1 196.294 1.649 10 30 ADEEMO CCOCC[N@@H+](CCC#N)CC1CC1 610485261 347025763 /nfs/dbraw/zinc/02/57/63/347025763.db2.gz GCLKIPSGIPFNRW-UHFFFAOYSA-N 1 1 196.294 1.649 10 30 ADEEMO CCOC[C@@H]1CC[N@@H+](CCCC#N)C1 610485310 347026021 /nfs/dbraw/zinc/02/60/21/347026021.db2.gz CBDJVYLPBRWTQP-LLVKDONJSA-N 1 1 196.294 1.649 10 30 ADEEMO C=CCCC[N@@H+](CC(=O)OC)C1CC1 610605579 347027043 /nfs/dbraw/zinc/02/70/43/347027043.db2.gz FZGSLZNJUMLISN-UHFFFAOYSA-N 1 1 197.278 1.590 10 30 ADEEMO C=CCCC[N@H+](CC(=O)OC)C1CC1 610605579 347027044 /nfs/dbraw/zinc/02/70/44/347027044.db2.gz FZGSLZNJUMLISN-UHFFFAOYSA-N 1 1 197.278 1.590 10 30 ADEEMO COC[C@H]1CCC[N@H+]1CCCCC#N 610604893 347027117 /nfs/dbraw/zinc/02/71/17/347027117.db2.gz CNODQQXIQDRMFQ-LLVKDONJSA-N 1 1 196.294 1.791 10 30 ADEEMO COC[C@@H]1CCC[N@H+]1CCCCC#N 610604894 347027278 /nfs/dbraw/zinc/02/72/78/347027278.db2.gz CNODQQXIQDRMFQ-NSHDSACASA-N 1 1 196.294 1.791 10 30 ADEEMO C[N@H+](CCCC#N)Cc1cn[nH]c1 610662096 347028021 /nfs/dbraw/zinc/02/80/21/347028021.db2.gz FGMMHBPWJWNYGT-UHFFFAOYSA-N 1 1 178.239 1.145 10 30 ADEEMO C[N@@H+](CCCC#N)Cc1cn[nH]c1 610662096 347028022 /nfs/dbraw/zinc/02/80/22/347028022.db2.gz FGMMHBPWJWNYGT-UHFFFAOYSA-N 1 1 178.239 1.145 10 30 ADEEMO C=C(C)C[N@H+](C)CCSC 610677081 347028968 /nfs/dbraw/zinc/02/89/68/347028968.db2.gz APHABHNKDDYSNR-UHFFFAOYSA-N 1 1 159.298 1.857 10 30 ADEEMO CC[N@@H+](CCC#N)CC1(O)CCC1 610710260 347030152 /nfs/dbraw/zinc/03/01/52/347030152.db2.gz IMWIPADYCVTLCC-UHFFFAOYSA-N 1 1 182.267 1.137 10 30 ADEEMO C=CCC[N@@H+]1CC[C@@](C)(C(=O)OC)C1 610741583 347030855 /nfs/dbraw/zinc/03/08/55/347030855.db2.gz BPVGFKJTLDZRQM-LLVKDONJSA-N 1 1 197.278 1.448 10 30 ADEEMO C=C(C)C[N@@H+]1CC[C@](C)(C(=O)OC)C1 610738538 347030940 /nfs/dbraw/zinc/03/09/40/347030940.db2.gz CTNRFFSGMHPONB-NSHDSACASA-N 1 1 197.278 1.448 10 30 ADEEMO C=CCC[N@@H+]1CC[C@](C)(C(=O)OC)C1 610741584 347031034 /nfs/dbraw/zinc/03/10/34/347031034.db2.gz BPVGFKJTLDZRQM-NSHDSACASA-N 1 1 197.278 1.448 10 30 ADEEMO C=C(C)C[N@@H+]1CC[C@@](C)(C(=O)OC)C1 610738537 347031077 /nfs/dbraw/zinc/03/10/77/347031077.db2.gz CTNRFFSGMHPONB-LLVKDONJSA-N 1 1 197.278 1.448 10 30 ADEEMO C=CCC[N@H+](C)CCSC 610821281 347031721 /nfs/dbraw/zinc/03/17/21/347031721.db2.gz HOVLKOSUMMSLOY-UHFFFAOYSA-N 1 1 159.298 1.857 10 30 ADEEMO C=CC[N@@H+](C)C1(C(=O)OC)CCCC1 610901386 347032344 /nfs/dbraw/zinc/03/23/44/347032344.db2.gz HHCNLVVDMMKRKB-UHFFFAOYSA-N 1 1 197.278 1.590 10 30 ADEEMO C=CC[N@H+](C)C1(C(=O)OC)CCCC1 610901386 347032349 /nfs/dbraw/zinc/03/23/49/347032349.db2.gz HHCNLVVDMMKRKB-UHFFFAOYSA-N 1 1 197.278 1.590 10 30 ADEEMO Cc1[nH+]ccn1CCCN(C)CC#N 610998990 347033174 /nfs/dbraw/zinc/03/31/74/347033174.db2.gz GCPKTUAUIARFEZ-UHFFFAOYSA-N 1 1 192.266 1.037 10 30 ADEEMO C=C(C)C[N@@H+]1CCC[C@H]1CC(=O)OC 610990517 347033374 /nfs/dbraw/zinc/03/33/74/347033374.db2.gz GGVBVJGCEPZGNU-JTQLQIEISA-N 1 1 197.278 1.590 10 30 ADEEMO C=C(C)C[N@@H+]1CCC[C@@H]1CC(=O)OC 610990518 347033683 /nfs/dbraw/zinc/03/36/83/347033683.db2.gz GGVBVJGCEPZGNU-SNVBAGLBSA-N 1 1 197.278 1.590 10 30 ADEEMO CSCC[N@H+](C[C@H](C)C#N)C1CC1 611091646 347034877 /nfs/dbraw/zinc/03/48/77/347034877.db2.gz NAHREHPFKMSVBP-SECBINFHSA-N 1 1 198.335 1.973 10 30 ADEEMO CSCC[N@@H+](C[C@H](C)C#N)C1CC1 611091646 347034879 /nfs/dbraw/zinc/03/48/79/347034879.db2.gz NAHREHPFKMSVBP-SECBINFHSA-N 1 1 198.335 1.973 10 30 ADEEMO C[C@H](C#N)C[N@@H+](CCCCO)C1CC1 611091667 347034884 /nfs/dbraw/zinc/03/48/84/347034884.db2.gz RSYQRRVSELNDDM-SNVBAGLBSA-N 1 1 196.294 1.383 10 30 ADEEMO C[C@@H](C#N)C[N@@H+](CCCCO)C1CC1 611091666 347034891 /nfs/dbraw/zinc/03/48/91/347034891.db2.gz RSYQRRVSELNDDM-JTQLQIEISA-N 1 1 196.294 1.383 10 30 ADEEMO CSCC[N@H+](C[C@@H](C)C#N)C1CC1 611091647 347034899 /nfs/dbraw/zinc/03/48/99/347034899.db2.gz NAHREHPFKMSVBP-VIFPVBQESA-N 1 1 198.335 1.973 10 30 ADEEMO CSCC[N@@H+](C[C@@H](C)C#N)C1CC1 611091647 347034901 /nfs/dbraw/zinc/03/49/01/347034901.db2.gz NAHREHPFKMSVBP-VIFPVBQESA-N 1 1 198.335 1.973 10 30 ADEEMO N#CCCC[N@@H+]1CC[C@@H](C(F)F)C1 611179971 347035209 /nfs/dbraw/zinc/03/52/09/347035209.db2.gz OWNNZBOQXASEFD-MRVPVSSYSA-N 1 1 188.221 1.877 10 30 ADEEMO COCC1([N@@H+](C)CCCCC#N)CC1 611178614 347035241 /nfs/dbraw/zinc/03/52/41/347035241.db2.gz HTYHULDBHGUOPG-UHFFFAOYSA-N 1 1 196.294 1.791 10 30 ADEEMO N#CCCC[N@@H+]1CC[C@H](C(F)F)C1 611179972 347035552 /nfs/dbraw/zinc/03/55/52/347035552.db2.gz OWNNZBOQXASEFD-QMMMGPOBSA-N 1 1 188.221 1.877 10 30 ADEEMO COCC1([N@@H+](C)CCCC#N)CC1 611178590 347035603 /nfs/dbraw/zinc/03/56/03/347035603.db2.gz GWBFOEPMRGMUSF-UHFFFAOYSA-N 1 1 182.267 1.401 10 30 ADEEMO C=C(C)[C@H](CO)[N@@H+](CC)C[C@H](C)C#N 611220196 347036403 /nfs/dbraw/zinc/03/64/03/347036403.db2.gz FDUYQVKYDTYXSS-MNOVXSKESA-N 1 1 196.294 1.405 10 30 ADEEMO C=C(C)[C@@H](CO)[N@H+](CC)C[C@H](C)C#N 611220195 347036387 /nfs/dbraw/zinc/03/63/87/347036387.db2.gz FDUYQVKYDTYXSS-GHMZBOCLSA-N 1 1 196.294 1.405 10 30 ADEEMO C=C(C)[C@@H](CO)[N@@H+](CC)C[C@H](C)C#N 611220195 347036390 /nfs/dbraw/zinc/03/63/90/347036390.db2.gz FDUYQVKYDTYXSS-GHMZBOCLSA-N 1 1 196.294 1.405 10 30 ADEEMO C=C(C)[C@H](CO)[N@H+](CC)C[C@H](C)C#N 611220196 347036400 /nfs/dbraw/zinc/03/64/00/347036400.db2.gz FDUYQVKYDTYXSS-MNOVXSKESA-N 1 1 196.294 1.405 10 30 ADEEMO C=C(C)[C@@H](CO)[N@H+](CC)C[C@@H](C)C#N 611220198 347036411 /nfs/dbraw/zinc/03/64/11/347036411.db2.gz FDUYQVKYDTYXSS-WDEREUQCSA-N 1 1 196.294 1.405 10 30 ADEEMO C=C(C)[C@@H](CO)[N@@H+](CC)C[C@@H](C)C#N 611220198 347036415 /nfs/dbraw/zinc/03/64/15/347036415.db2.gz FDUYQVKYDTYXSS-WDEREUQCSA-N 1 1 196.294 1.405 10 30 ADEEMO C=C(C)[C@H](CO)[N@H+](CC)C[C@@H](C)C#N 611220197 347036423 /nfs/dbraw/zinc/03/64/23/347036423.db2.gz FDUYQVKYDTYXSS-QWRGUYRKSA-N 1 1 196.294 1.405 10 30 ADEEMO C=C(C)[C@H](CO)[N@@H+](CC)C[C@@H](C)C#N 611220197 347036426 /nfs/dbraw/zinc/03/64/26/347036426.db2.gz FDUYQVKYDTYXSS-QWRGUYRKSA-N 1 1 196.294 1.405 10 30 ADEEMO C[N@H+](Cc1ccc(C#N)o1)CC1CC1 611262331 347036818 /nfs/dbraw/zinc/03/68/18/347036818.db2.gz DFEXGAQGBZAVII-UHFFFAOYSA-N 1 1 190.246 1.993 10 30 ADEEMO C=CCCC[C@@H](C)[N@H+](C)CC(=O)OC 611371013 347037855 /nfs/dbraw/zinc/03/78/55/347037855.db2.gz FKRYCHMWOPIDRW-SNVBAGLBSA-N 1 1 199.294 1.836 10 30 ADEEMO C=CCCC[C@H](C)[N@H+](C)CC(=O)OC 611371012 347037923 /nfs/dbraw/zinc/03/79/23/347037923.db2.gz FKRYCHMWOPIDRW-JTQLQIEISA-N 1 1 199.294 1.836 10 30 ADEEMO C=C(C)C[N@H+](C)CCCC(=O)OCC 611501105 347038448 /nfs/dbraw/zinc/03/84/48/347038448.db2.gz BUSXEIXVZFAFJI-UHFFFAOYSA-N 1 1 199.294 1.838 10 30 ADEEMO C=C(C)C[N@H+](C)CCC(=O)OC(C)C 611501104 347038969 /nfs/dbraw/zinc/03/89/69/347038969.db2.gz AWMUSINXZOSBON-UHFFFAOYSA-N 1 1 199.294 1.836 10 30 ADEEMO C[C@@H]1C[C@H](C[N@@H+](C)CCC#N)CCO1 611517711 347039490 /nfs/dbraw/zinc/03/94/90/347039490.db2.gz LYTGABTYOIBECU-GHMZBOCLSA-N 1 1 196.294 1.647 10 30 ADEEMO C[C@H]1C[C@H](C[N@@H+](C)CCC#N)CCO1 611517714 347039558 /nfs/dbraw/zinc/03/95/58/347039558.db2.gz LYTGABTYOIBECU-WDEREUQCSA-N 1 1 196.294 1.647 10 30 ADEEMO N#CCCCC[N@@H+]1CC=CCC1 611517456 347039667 /nfs/dbraw/zinc/03/96/67/347039667.db2.gz DIRPPVOMLQOCJC-UHFFFAOYSA-N 1 1 164.252 1.942 10 30 ADEEMO N#Cc1cc(C[N@H+]2CC=CCC2)ccn1 611517273 347039766 /nfs/dbraw/zinc/03/97/66/347039766.db2.gz NBNQKINAFCWSMN-UHFFFAOYSA-N 1 1 199.257 1.715 10 30 ADEEMO N#Cc1cc(C[N@@H+]2CC=CCC2)ccn1 611517273 347039768 /nfs/dbraw/zinc/03/97/68/347039768.db2.gz NBNQKINAFCWSMN-UHFFFAOYSA-N 1 1 199.257 1.715 10 30 ADEEMO C[C@H]1C[C@@H](C[N@@H+](C)CCC#N)CCO1 611517713 347039775 /nfs/dbraw/zinc/03/97/75/347039775.db2.gz LYTGABTYOIBECU-QWRGUYRKSA-N 1 1 196.294 1.647 10 30 ADEEMO C[C@@H]1C[C@@H](C[N@@H+](C)CCC#N)CCO1 611517712 347039799 /nfs/dbraw/zinc/03/97/99/347039799.db2.gz LYTGABTYOIBECU-MNOVXSKESA-N 1 1 196.294 1.647 10 30 ADEEMO C=CC[N@H+]1CCCCC[C@H]1C(=O)OC 611574772 347040379 /nfs/dbraw/zinc/04/03/79/347040379.db2.gz FMVFLBWJKTZKRT-JTQLQIEISA-N 1 1 197.278 1.590 10 30 ADEEMO C=CC[N@@H+]1CCCCC[C@H]1C(=O)OC 611574772 347040382 /nfs/dbraw/zinc/04/03/82/347040382.db2.gz FMVFLBWJKTZKRT-JTQLQIEISA-N 1 1 197.278 1.590 10 30 ADEEMO C=CC[N@H+]1CCCCC[C@@H]1C(=O)OC 611574773 347040459 /nfs/dbraw/zinc/04/04/59/347040459.db2.gz FMVFLBWJKTZKRT-SNVBAGLBSA-N 1 1 197.278 1.590 10 30 ADEEMO C=CC[N@@H+]1CCCCC[C@@H]1C(=O)OC 611574773 347040462 /nfs/dbraw/zinc/04/04/62/347040462.db2.gz FMVFLBWJKTZKRT-SNVBAGLBSA-N 1 1 197.278 1.590 10 30 ADEEMO CO[C@H](C)C[N@H+](C[C@@H](C)C#N)C1CC1 611792851 347042454 /nfs/dbraw/zinc/04/24/54/347042454.db2.gz PZRWMJKDERRPLZ-VHSXEESVSA-N 1 1 196.294 1.645 10 30 ADEEMO CO[C@H](C)C[N@@H+](C[C@@H](C)C#N)C1CC1 611792851 347042457 /nfs/dbraw/zinc/04/24/57/347042457.db2.gz PZRWMJKDERRPLZ-VHSXEESVSA-N 1 1 196.294 1.645 10 30 ADEEMO CO[C@H](C)C[N@@H+](C[C@H](C)C#N)C1CC1 611792849 347042473 /nfs/dbraw/zinc/04/24/73/347042473.db2.gz PZRWMJKDERRPLZ-NXEZZACHSA-N 1 1 196.294 1.645 10 30 ADEEMO CO[C@@H](C)C[N@H+](C[C@H](C)C#N)C1CC1 611792852 347042572 /nfs/dbraw/zinc/04/25/72/347042572.db2.gz PZRWMJKDERRPLZ-ZJUUUORDSA-N 1 1 196.294 1.645 10 30 ADEEMO CO[C@@H](C)C[N@@H+](C[C@H](C)C#N)C1CC1 611792852 347042574 /nfs/dbraw/zinc/04/25/74/347042574.db2.gz PZRWMJKDERRPLZ-ZJUUUORDSA-N 1 1 196.294 1.645 10 30 ADEEMO CO[C@@H](C)C[N@H+](C[C@@H](C)C#N)C1CC1 611792850 347042633 /nfs/dbraw/zinc/04/26/33/347042633.db2.gz PZRWMJKDERRPLZ-UWVGGRQHSA-N 1 1 196.294 1.645 10 30 ADEEMO CO[C@@H](C)C[N@@H+](C[C@@H](C)C#N)C1CC1 611792850 347042636 /nfs/dbraw/zinc/04/26/36/347042636.db2.gz PZRWMJKDERRPLZ-UWVGGRQHSA-N 1 1 196.294 1.645 10 30 ADEEMO CO[C@H]1CCC[N@@H+](CCCC#N)CC1 611943362 347044287 /nfs/dbraw/zinc/04/42/87/347044287.db2.gz DWOIVCYECGEOQY-NSHDSACASA-N 1 1 196.294 1.791 10 30 ADEEMO C[C@H](CO)C[N@H+]1CCC[C@](C)(C#N)C1 612164924 347046206 /nfs/dbraw/zinc/04/62/06/347046206.db2.gz JBDZOXZBUFFQGH-WDEREUQCSA-N 1 1 196.294 1.240 10 30 ADEEMO C[C@H](CO)C[N@H+]1CCC[C@@](C)(C#N)C1 612164923 347046211 /nfs/dbraw/zinc/04/62/11/347046211.db2.gz JBDZOXZBUFFQGH-QWRGUYRKSA-N 1 1 196.294 1.240 10 30 ADEEMO C[C@@H](CO)C[N@H+]1CCC[C@](C)(C#N)C1 612164921 347046285 /nfs/dbraw/zinc/04/62/85/347046285.db2.gz JBDZOXZBUFFQGH-GHMZBOCLSA-N 1 1 196.294 1.240 10 30 ADEEMO C[N@H+](CCC#N)CC[C@@H]1CCCCO1 612446928 347049056 /nfs/dbraw/zinc/04/90/56/347049056.db2.gz IPHZVQHYOONDSY-NSHDSACASA-N 1 1 196.294 1.791 10 30 ADEEMO C[N@@H+](CCC#N)CC[C@@H]1CCCCO1 612446928 347049060 /nfs/dbraw/zinc/04/90/60/347049060.db2.gz IPHZVQHYOONDSY-NSHDSACASA-N 1 1 196.294 1.791 10 30 ADEEMO C[N@H+](CCC#N)CC[C@H]1CCCCO1 612446927 347049108 /nfs/dbraw/zinc/04/91/08/347049108.db2.gz IPHZVQHYOONDSY-LLVKDONJSA-N 1 1 196.294 1.791 10 30 ADEEMO C[N@@H+](CCC#N)CC[C@H]1CCCCO1 612446927 347049109 /nfs/dbraw/zinc/04/91/09/347049109.db2.gz IPHZVQHYOONDSY-LLVKDONJSA-N 1 1 196.294 1.791 10 30 ADEEMO C=CC[N@H+](CCOC)C(C)C 613496344 347060765 /nfs/dbraw/zinc/06/07/65/347060765.db2.gz BGWOWEAODNOYPR-UHFFFAOYSA-N 1 1 157.257 1.529 10 30 ADEEMO C=CC[N@@H+](C[C@H]1CCC(=O)N1)C(C)C 613864710 347065067 /nfs/dbraw/zinc/06/50/67/347065067.db2.gz DKIGINLENPMGCP-SNVBAGLBSA-N 1 1 196.294 1.161 10 30 ADEEMO CC(C)C[C@@H](CO)[N@@H+](C)CCCC#N 614212149 347068409 /nfs/dbraw/zinc/06/84/09/347068409.db2.gz CVEGXCPEVYULLI-NSHDSACASA-N 1 1 198.310 1.629 10 30 ADEEMO CC(C)C[C@H](CO)[N@@H+](C)CCCC#N 614212147 347068692 /nfs/dbraw/zinc/06/86/92/347068692.db2.gz CVEGXCPEVYULLI-LLVKDONJSA-N 1 1 198.310 1.629 10 30 ADEEMO N#CCCC[N@@H+]1CCO[C@@H](C2CC2)C1 614406703 347071321 /nfs/dbraw/zinc/07/13/21/347071321.db2.gz CJMZMFSREYGISO-LLVKDONJSA-N 1 1 194.278 1.401 10 30 ADEEMO N#CCCC[N@H+]1CCO[C@@H](C2CC2)C1 614406703 347071322 /nfs/dbraw/zinc/07/13/22/347071322.db2.gz CJMZMFSREYGISO-LLVKDONJSA-N 1 1 194.278 1.401 10 30 ADEEMO N#CCCC[N@@H+]1CCO[C@H](C2CC2)C1 614406706 347071450 /nfs/dbraw/zinc/07/14/50/347071450.db2.gz CJMZMFSREYGISO-NSHDSACASA-N 1 1 194.278 1.401 10 30 ADEEMO N#CCCC[N@H+]1CCO[C@H](C2CC2)C1 614406706 347071452 /nfs/dbraw/zinc/07/14/52/347071452.db2.gz CJMZMFSREYGISO-NSHDSACASA-N 1 1 194.278 1.401 10 30 ADEEMO C=CCC[N@@H+]1CCC[C@@]1(C)C(=O)OC 614591135 347072537 /nfs/dbraw/zinc/07/25/37/347072537.db2.gz HKCVTKDMKSQIAQ-NSHDSACASA-N 1 1 197.278 1.590 10 30 ADEEMO C=CC[N@H+](C)CCCSC 614578283 347072336 /nfs/dbraw/zinc/07/23/36/347072336.db2.gz BDGJPJWDHCUPLR-UHFFFAOYSA-N 1 1 159.298 1.857 10 30 ADEEMO C=CC[N@H+](C)Cc1ccnc(C#N)c1 614578703 347072720 /nfs/dbraw/zinc/07/27/20/347072720.db2.gz RSIWXQYZGCGGSY-UHFFFAOYSA-N 1 1 187.246 1.571 10 30 ADEEMO C[C@@H]1CC[C@@](CO)([N@@H+](C)CCC#N)C1 614605604 347073130 /nfs/dbraw/zinc/07/31/30/347073130.db2.gz SRXSYQZGIHUQGO-GHMZBOCLSA-N 1 1 196.294 1.383 10 30 ADEEMO C[C@@H]1CC[C@](CO)([N@@H+](C)CCC#N)C1 614605605 347073229 /nfs/dbraw/zinc/07/32/29/347073229.db2.gz SRXSYQZGIHUQGO-MNOVXSKESA-N 1 1 196.294 1.383 10 30 ADEEMO C[C@H]1CC[C@@](CO)([N@@H+](C)CCC#N)C1 614605607 347073395 /nfs/dbraw/zinc/07/33/95/347073395.db2.gz SRXSYQZGIHUQGO-WDEREUQCSA-N 1 1 196.294 1.383 10 30 ADEEMO C[C@H]1CC[C@](CO)([N@@H+](C)CCC#N)C1 614605606 347073439 /nfs/dbraw/zinc/07/34/39/347073439.db2.gz SRXSYQZGIHUQGO-QWRGUYRKSA-N 1 1 196.294 1.383 10 30 ADEEMO C[C@@H]1C[N@@H+](CCCC#N)[C@H](C)[C@@H](C)O1 615000358 347075999 /nfs/dbraw/zinc/07/59/99/347075999.db2.gz AFGGFDBZDPJBRE-GMTAPVOTSA-N 1 1 196.294 1.788 10 30 ADEEMO C=CC[N@H+](CCOC)[C@@H](C)COC 615098612 347076074 /nfs/dbraw/zinc/07/60/74/347076074.db2.gz HSPNVPHPNZBPON-JTQLQIEISA-N 1 1 187.283 1.156 10 30 ADEEMO C[N@@H+](CCCCC#N)CC1(CO)CC1 614997680 347076115 /nfs/dbraw/zinc/07/61/15/347076115.db2.gz IWJGYGJGQOYUMY-UHFFFAOYSA-N 1 1 196.294 1.385 10 30 ADEEMO C[C@@H]1O[C@H](C)C[N@@H+](CCCC#N)[C@@H]1C 615000359 347076124 /nfs/dbraw/zinc/07/61/24/347076124.db2.gz AFGGFDBZDPJBRE-MXWKQRLJSA-N 1 1 196.294 1.788 10 30 ADEEMO C[C@@H]1O[C@H](C)C[N@@H+](CCCC#N)[C@H]1C 615000361 347076242 /nfs/dbraw/zinc/07/62/42/347076242.db2.gz AFGGFDBZDPJBRE-VWYCJHECSA-N 1 1 196.294 1.788 10 30 ADEEMO C=CC[N@H+](CCOC)[C@H](C)COC 615098613 347076258 /nfs/dbraw/zinc/07/62/58/347076258.db2.gz HSPNVPHPNZBPON-SNVBAGLBSA-N 1 1 187.283 1.156 10 30 ADEEMO C[C@H]1[C@@H](C)O[C@H](C)C[N@H+]1CCCC#N 615000360 347076279 /nfs/dbraw/zinc/07/62/79/347076279.db2.gz AFGGFDBZDPJBRE-OUAUKWLOSA-N 1 1 196.294 1.788 10 30 ADEEMO COC[C@@H](C)C[N@@H+](CCC#N)C(C)C 615112878 347076689 /nfs/dbraw/zinc/07/66/89/347076689.db2.gz PABLISOHPQAYSH-NSHDSACASA-N 1 1 198.310 1.893 10 30 ADEEMO CC[N@H+](C[C@H](C)C#N)C[C@H](C)COC 615112858 347076706 /nfs/dbraw/zinc/07/67/06/347076706.db2.gz FUWBKLYDVOLWSE-MNOVXSKESA-N 1 1 198.310 1.750 10 30 ADEEMO COC[C@H](C)C[N@@H+](CCC#N)C(C)C 615112877 347076730 /nfs/dbraw/zinc/07/67/30/347076730.db2.gz PABLISOHPQAYSH-LLVKDONJSA-N 1 1 198.310 1.893 10 30 ADEEMO CC[N@@H+](C[C@H](C)COC)C[C@@H](C)C#N 615112859 347076814 /nfs/dbraw/zinc/07/68/14/347076814.db2.gz FUWBKLYDVOLWSE-QWRGUYRKSA-N 1 1 198.310 1.750 10 30 ADEEMO CC[N@H+](C[C@@H](C)C#N)C[C@@H](C)COC 615112860 347076847 /nfs/dbraw/zinc/07/68/47/347076847.db2.gz FUWBKLYDVOLWSE-WDEREUQCSA-N 1 1 198.310 1.750 10 30 ADEEMO CC[N@H+](C[C@H](C)C#N)C[C@@H](C)COC 615112857 347076872 /nfs/dbraw/zinc/07/68/72/347076872.db2.gz FUWBKLYDVOLWSE-GHMZBOCLSA-N 1 1 198.310 1.750 10 30 ADEEMO C[N@@H+](CCCC#N)[C@H]1CC[C@H](O)CC1 615240372 347077989 /nfs/dbraw/zinc/07/79/89/347077989.db2.gz KZBAUHWOFFTWRE-XYPYZODXSA-N 1 1 196.294 1.525 10 30 ADEEMO C=CCC[N@H+](C)CCCC(=O)OCC 615634809 347081914 /nfs/dbraw/zinc/08/19/14/347081914.db2.gz GSYMHSMDCGKZLL-UHFFFAOYSA-N 1 1 199.294 1.838 10 30 ADEEMO C=CCC[N@H+](C)CCC(=O)OC(C)C 615635753 347081962 /nfs/dbraw/zinc/08/19/62/347081962.db2.gz HMJIIMGRCIYKEP-UHFFFAOYSA-N 1 1 199.294 1.836 10 30 ADEEMO C=CC[N@@H+](CCOC)CCSC 616844301 347169795 /nfs/dbraw/zinc/16/97/95/347169795.db2.gz CHHLGVAPTXBUSD-UHFFFAOYSA-N 1 1 189.324 1.484 10 30 ADEEMO C=CCCNC(=O)C[NH+]1CC(C)(C)C1 617618397 347179672 /nfs/dbraw/zinc/17/96/72/347179672.db2.gz NPGCOSNGPCNYAY-UHFFFAOYSA-N 1 1 196.294 1.021 10 30 ADEEMO C=CCCNC(=O)C[N@@H+]1CC[C@H](C)C1 617618246 347179766 /nfs/dbraw/zinc/17/97/66/347179766.db2.gz INRLZSDTQPUWTQ-JTQLQIEISA-N 1 1 196.294 1.021 10 30 ADEEMO C=CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 617618247 347179790 /nfs/dbraw/zinc/17/97/90/347179790.db2.gz INRLZSDTQPUWTQ-SNVBAGLBSA-N 1 1 196.294 1.021 10 30 ADEEMO N#CCCC[N@H+]1CCC12CCOCC2 618318425 347188404 /nfs/dbraw/zinc/18/84/04/347188404.db2.gz ZIDAGJDAKJFRIJ-UHFFFAOYSA-N 1 1 194.278 1.545 10 30 ADEEMO C=C[C@H]1CCCC[N@@H+]1CCC(=O)OC 618767514 347192936 /nfs/dbraw/zinc/19/29/36/347192936.db2.gz DGRYUWZNCDYEHK-JTQLQIEISA-N 1 1 197.278 1.590 10 30 ADEEMO C=C[C@@H]1CCCC[N@@H+]1CCC(=O)OC 618767515 347193130 /nfs/dbraw/zinc/19/31/30/347193130.db2.gz DGRYUWZNCDYEHK-SNVBAGLBSA-N 1 1 197.278 1.590 10 30 ADEEMO CCOCC[N@@H+](C)C[C@H](C)CCC#N 618887499 347194576 /nfs/dbraw/zinc/19/45/76/347194576.db2.gz BFULLAFUBJOEJO-LLVKDONJSA-N 1 1 198.310 1.895 10 30 ADEEMO CCOCC[N@@H+](C)C[C@@H](C)CCC#N 618887500 347194656 /nfs/dbraw/zinc/19/46/56/347194656.db2.gz BFULLAFUBJOEJO-NSHDSACASA-N 1 1 198.310 1.895 10 30 ADEEMO C[C@@H]1C[C@@H](C)[NH+]1C[C@H](C#N)CCC#N 619285277 347197371 /nfs/dbraw/zinc/19/73/71/347197371.db2.gz TUPXVXUBKFCBDZ-MXWKQRLJSA-N 1 1 191.278 1.913 10 30 ADEEMO C[C@@H]1C[C@@H](C)[NH+]1C[C@@H](C#N)CCC#N 619285276 347197600 /nfs/dbraw/zinc/19/76/00/347197600.db2.gz TUPXVXUBKFCBDZ-GMTAPVOTSA-N 1 1 191.278 1.913 10 30 ADEEMO C[C@H]1C[C@@H](C)[N@@H+]1C[C@@H](C#N)CCC#N 619285279 347197651 /nfs/dbraw/zinc/19/76/51/347197651.db2.gz TUPXVXUBKFCBDZ-OUAUKWLOSA-N 1 1 191.278 1.913 10 30 ADEEMO C[C@H]1C[C@@H](C)[N@H+]1C[C@@H](C#N)CCC#N 619285279 347197655 /nfs/dbraw/zinc/19/76/55/347197655.db2.gz TUPXVXUBKFCBDZ-OUAUKWLOSA-N 1 1 191.278 1.913 10 30 ADEEMO C[C@H]1C[C@@H](C)[N@@H+]1C[C@H](C#N)CCC#N 619285275 347197724 /nfs/dbraw/zinc/19/77/24/347197724.db2.gz TUPXVXUBKFCBDZ-AXFHLTTASA-N 1 1 191.278 1.913 10 30 ADEEMO C[C@H]1C[C@@H](C)[N@H+]1C[C@H](C#N)CCC#N 619285275 347197726 /nfs/dbraw/zinc/19/77/26/347197726.db2.gz TUPXVXUBKFCBDZ-AXFHLTTASA-N 1 1 191.278 1.913 10 30 ADEEMO C=CC[N@H+](C)CCC(C)(C)C(=O)OC 619429404 347200466 /nfs/dbraw/zinc/20/04/66/347200466.db2.gz BRSFTFAKQHBSLD-UHFFFAOYSA-N 1 1 199.294 1.694 10 30 ADEEMO C[C@H](O)CC[N@@H+](CCC#N)CC1CC1 619569589 347202670 /nfs/dbraw/zinc/20/26/70/347202670.db2.gz UVCAZKXBOYELBA-JTQLQIEISA-N 1 1 196.294 1.383 10 30 ADEEMO COCCC[N@@H+](C)[C@H]1CC[C@H](C#N)C1 619569526 347202684 /nfs/dbraw/zinc/20/26/84/347202684.db2.gz FJYZOLKXSBAVHM-QWRGUYRKSA-N 1 1 196.294 1.647 10 30 ADEEMO C[C@@H](O)CC[N@@H+](CCC#N)CC1CC1 619569590 347202774 /nfs/dbraw/zinc/20/27/74/347202774.db2.gz UVCAZKXBOYELBA-SNVBAGLBSA-N 1 1 196.294 1.383 10 30 ADEEMO COCCC[N@@H+](C)[C@H]1CC[C@@H](C#N)C1 619569525 347202811 /nfs/dbraw/zinc/20/28/11/347202811.db2.gz FJYZOLKXSBAVHM-MNOVXSKESA-N 1 1 196.294 1.647 10 30 ADEEMO COCCC[N@@H+](C)[C@@H]1CC[C@H](C#N)C1 619569527 347202865 /nfs/dbraw/zinc/20/28/65/347202865.db2.gz FJYZOLKXSBAVHM-WDEREUQCSA-N 1 1 196.294 1.647 10 30 ADEEMO COCCC[N@@H+](C)[C@@H]1CC[C@@H](C#N)C1 619569524 347202911 /nfs/dbraw/zinc/20/29/11/347202911.db2.gz FJYZOLKXSBAVHM-GHMZBOCLSA-N 1 1 196.294 1.647 10 30 ADEEMO C[N@@H+](CCCO)CC(C)(C)CCC#N 619674882 347204383 /nfs/dbraw/zinc/20/43/83/347204383.db2.gz MTTPQGVRMHUMJZ-UHFFFAOYSA-N 1 1 198.310 1.631 10 30 ADEEMO C=CC[N@@H+](CC)CCOC 619730638 347205515 /nfs/dbraw/zinc/20/55/15/347205515.db2.gz ANRPPHNUIXFAMU-UHFFFAOYSA-N 1 1 143.230 1.141 10 30 ADEEMO C=C(C)C[N@H+](C)CCCOC 620618318 347217004 /nfs/dbraw/zinc/21/70/04/347217004.db2.gz BMDFUMPAEQHCRI-UHFFFAOYSA-N 1 1 157.257 1.531 10 30 ADEEMO C=C(C)C[N@H+](C)Cc1nccnc1C 621721266 347230494 /nfs/dbraw/zinc/23/04/94/347230494.db2.gz GWOONDDTQQUEJY-UHFFFAOYSA-N 1 1 191.278 1.793 10 30 ADEEMO C=CC[NH+](CC=C)CC(=O)N(C)CC 621729910 347230572 /nfs/dbraw/zinc/23/05/72/347230572.db2.gz FRGKJAIWOJWXJZ-UHFFFAOYSA-N 1 1 196.294 1.139 10 30 ADEEMO C=C(C)C[N@@H+](CC)CCn1cccn1 621729906 347230834 /nfs/dbraw/zinc/23/08/34/347230834.db2.gz DNVZETXSUIDKLF-UHFFFAOYSA-N 1 1 193.294 1.781 10 30 ADEEMO C=CC[N@H+](C)C[C@@H](OCC)C1CC1 625337694 347285190 /nfs/dbraw/zinc/28/51/90/347285190.db2.gz WRDPUGSSCQABSN-LLVKDONJSA-N 1 1 183.295 1.919 10 30 ADEEMO C=CC[N@@H+](C)CCOC1CCOCC1 625337656 347285335 /nfs/dbraw/zinc/28/53/35/347285335.db2.gz WEGGWKJFEYPJKS-UHFFFAOYSA-N 1 1 199.294 1.300 10 30 ADEEMO C=CC[N@@H+](C)Cc1cncc(OC)n1 625338160 347285605 /nfs/dbraw/zinc/28/56/05/347285605.db2.gz YVUISNOSYPARSI-UHFFFAOYSA-N 1 1 193.250 1.103 10 30 ADEEMO C=CC[N@H+](C)Cc1cncc(OC)n1 625338160 347285608 /nfs/dbraw/zinc/28/56/08/347285608.db2.gz YVUISNOSYPARSI-UHFFFAOYSA-N 1 1 193.250 1.103 10 30 ADEEMO C=CC[N@H+](C)C[C@H](OCC)C1CC1 625337695 347285690 /nfs/dbraw/zinc/28/56/90/347285690.db2.gz WRDPUGSSCQABSN-NSHDSACASA-N 1 1 183.295 1.919 10 30 ADEEMO C=C(C)CC[N@H+]1CCc2nc[nH]c2C1 625435453 347285968 /nfs/dbraw/zinc/28/59/68/347285968.db2.gz RBFHUNCNTWJEQE-UHFFFAOYSA-N 1 1 191.278 1.734 10 30 ADEEMO CC#CC[N@H+](C)C[C@@H](OCC)C1CC1 625449564 347286095 /nfs/dbraw/zinc/28/60/95/347286095.db2.gz IMXGMYHCQJGPEZ-GFCCVEGCSA-N 1 1 195.306 1.757 10 30 ADEEMO CC#CC[N@H+](C)C[C@H](OCC)C1CC1 625449565 347286312 /nfs/dbraw/zinc/28/63/12/347286312.db2.gz IMXGMYHCQJGPEZ-LBPRGKRZSA-N 1 1 195.306 1.757 10 30 ADEEMO C=CC[C@@H]1CC[N@H+](C[C@H](O)C(C)C)C1 625700594 347288990 /nfs/dbraw/zinc/28/89/90/347288990.db2.gz CQMFXWJDTPZAON-NEPJUHHUSA-N 1 1 197.322 1.901 10 30 ADEEMO C=CC[C@H]1CC[N@H+](CC(=O)NCC)C1 625699427 347289040 /nfs/dbraw/zinc/28/90/40/347289040.db2.gz FFEAZIZNZHLFAW-JTQLQIEISA-N 1 1 196.294 1.021 10 30 ADEEMO C=CC[C@@H]1CC[N@H+](CC[C@@H](C)O)C1 625700606 347289056 /nfs/dbraw/zinc/28/90/56/347289056.db2.gz CTZCFNRHNPHFEI-GHMZBOCLSA-N 1 1 183.295 1.655 10 30 ADEEMO C=CC[C@@H]1CC[N@H+](CC2(C)COC2)C1 625700536 347289093 /nfs/dbraw/zinc/28/90/93/347289093.db2.gz KANOZWUDFJAPBQ-LLVKDONJSA-N 1 1 195.306 1.921 10 30 ADEEMO C=CC[C@H]1CC[N@H+](CC[C@@H](C)O)C1 625700607 347289121 /nfs/dbraw/zinc/28/91/21/347289121.db2.gz CTZCFNRHNPHFEI-MNOVXSKESA-N 1 1 183.295 1.655 10 30 ADEEMO C=CC[C@@H]1CC[N@H+](CC[C@H](C)O)C1 625700609 347289141 /nfs/dbraw/zinc/28/91/41/347289141.db2.gz CTZCFNRHNPHFEI-WDEREUQCSA-N 1 1 183.295 1.655 10 30 ADEEMO C=CC[C@H]1CC[N@H+](CC2(C)COC2)C1 625700537 347289152 /nfs/dbraw/zinc/28/91/52/347289152.db2.gz KANOZWUDFJAPBQ-NSHDSACASA-N 1 1 195.306 1.921 10 30 ADEEMO C=CC[C@@H]1CC[N@H+](C[C@@H](O)C(C)C)C1 625700597 347289188 /nfs/dbraw/zinc/28/91/88/347289188.db2.gz CQMFXWJDTPZAON-VXGBXAGGSA-N 1 1 197.322 1.901 10 30 ADEEMO C=CC[C@H]1CC[N@H+](CC[C@H](C)O)C1 625700608 347289207 /nfs/dbraw/zinc/28/92/07/347289207.db2.gz CTZCFNRHNPHFEI-QWRGUYRKSA-N 1 1 183.295 1.655 10 30 ADEEMO C=CC[C@@H]1CC[N@H+](CCCO)C1 625705274 347291025 /nfs/dbraw/zinc/29/10/25/347291025.db2.gz ZNJCNGDTNPZASI-SNVBAGLBSA-N 1 1 169.268 1.267 10 30 ADEEMO C=CC[C@H]1CC[N@H+](C[C@H](O)C(C)C)C1 625700596 347289272 /nfs/dbraw/zinc/28/92/72/347289272.db2.gz CQMFXWJDTPZAON-RYUDHWBXSA-N 1 1 197.322 1.901 10 30 ADEEMO C=CC[C@@H]1CC[N@H+](CC(=O)NCC)C1 625699428 347289279 /nfs/dbraw/zinc/28/92/79/347289279.db2.gz FFEAZIZNZHLFAW-SNVBAGLBSA-N 1 1 196.294 1.021 10 30 ADEEMO C=CC[C@H]1CC[N@H+](CCCCO)C1 625700835 347289680 /nfs/dbraw/zinc/28/96/80/347289680.db2.gz MBVMRUFPOJCTMM-NSHDSACASA-N 1 1 183.295 1.657 10 30 ADEEMO C=CC[C@H]1CC[N@H+](C[C@@H](C)CO)C1 625703021 347289741 /nfs/dbraw/zinc/28/97/41/347289741.db2.gz PTLCKGKWYSZHJQ-MNOVXSKESA-N 1 1 183.295 1.513 10 30 ADEEMO C=CC[C@H]1CC[N@H+](C[C@@H](O)CC)C1 625701979 347289745 /nfs/dbraw/zinc/28/97/45/347289745.db2.gz VJJGPBBTBRZWOQ-QWRGUYRKSA-N 1 1 183.295 1.655 10 30 ADEEMO C=CC[C@@H]1CC[N@H+](C[C@@H](O)CC)C1 625701977 347289749 /nfs/dbraw/zinc/28/97/49/347289749.db2.gz VJJGPBBTBRZWOQ-MNOVXSKESA-N 1 1 183.295 1.655 10 30 ADEEMO C=CC[C@@H]1CC[N@H+](C[C@@H](C)OC)C1 625700941 347289754 /nfs/dbraw/zinc/28/97/54/347289754.db2.gz FVYJDODTIDEWSR-GHMZBOCLSA-N 1 1 183.295 1.919 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+](Cc2cnc[nH]2)C1 625701322 347289777 /nfs/dbraw/zinc/28/97/77/347289777.db2.gz ISBVBPSHTBUPJW-SNVBAGLBSA-N 1 1 191.278 1.808 10 30 ADEEMO C=CC[C@@H]1CC[N@H+](Cc2c[nH]cn2)C1 625701322 347289779 /nfs/dbraw/zinc/28/97/79/347289779.db2.gz ISBVBPSHTBUPJW-SNVBAGLBSA-N 1 1 191.278 1.808 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+](Cc2c[nH]cn2)C1 625701322 347289780 /nfs/dbraw/zinc/28/97/80/347289780.db2.gz ISBVBPSHTBUPJW-SNVBAGLBSA-N 1 1 191.278 1.808 10 30 ADEEMO C=CC[C@@H]1CC[N@H+](C[C@@H](C)O)C1 625701042 347289801 /nfs/dbraw/zinc/28/98/01/347289801.db2.gz HABZTWJRWVRWIF-NXEZZACHSA-N 1 1 169.268 1.265 10 30 ADEEMO C=CC[C@@H]1CC[N@H+](CC#CC)C1 625702392 347289822 /nfs/dbraw/zinc/28/98/22/347289822.db2.gz YAVBNTMKHVZCEV-LLVKDONJSA-N 1 1 163.264 1.908 10 30 ADEEMO C=CC[C@H]1CC[N@@H+](C[C@H]2CCOC2)C1 625702677 347289856 /nfs/dbraw/zinc/28/98/56/347289856.db2.gz IANLIUGQHQAPPS-NWDGAFQWSA-N 1 1 195.306 1.921 10 30 ADEEMO C=CC[C@@H]1CC[N@H+](CCC(=O)NC)C1 625702218 347289874 /nfs/dbraw/zinc/28/98/74/347289874.db2.gz FMHGAJHELOJIKL-SNVBAGLBSA-N 1 1 196.294 1.021 10 30 ADEEMO C=CC[C@H]1CC[N@H+](C[C@H](O)CC)C1 625701980 347289890 /nfs/dbraw/zinc/28/98/90/347289890.db2.gz VJJGPBBTBRZWOQ-WDEREUQCSA-N 1 1 183.295 1.655 10 30 ADEEMO C=CC[C@@H]1CC[N@H+](C[C@H](O)CC)C1 625701976 347289930 /nfs/dbraw/zinc/28/99/30/347289930.db2.gz VJJGPBBTBRZWOQ-GHMZBOCLSA-N 1 1 183.295 1.655 10 30 ADEEMO C=CC[C@@H]1CC[N@H+](C[C@H](C)OC)C1 625700945 347289954 /nfs/dbraw/zinc/28/99/54/347289954.db2.gz FVYJDODTIDEWSR-WDEREUQCSA-N 1 1 183.295 1.919 10 30 ADEEMO C=CC[C@@H]1CC[N@H+](CCOCC)C1 625702532 347289959 /nfs/dbraw/zinc/28/99/59/347289959.db2.gz GTZKJQVAROIZPX-LLVKDONJSA-N 1 1 183.295 1.921 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 625702674 347290006 /nfs/dbraw/zinc/29/00/06/347290006.db2.gz IANLIUGQHQAPPS-NEPJUHHUSA-N 1 1 195.306 1.921 10 30 ADEEMO C=CC[C@H]1CC[N@@H+](Cc2cnc[nH]2)C1 625701320 347290017 /nfs/dbraw/zinc/29/00/17/347290017.db2.gz ISBVBPSHTBUPJW-JTQLQIEISA-N 1 1 191.278 1.808 10 30 ADEEMO C=CC[C@H]1CC[N@H+](Cc2c[nH]cn2)C1 625701320 347290020 /nfs/dbraw/zinc/29/00/20/347290020.db2.gz ISBVBPSHTBUPJW-JTQLQIEISA-N 1 1 191.278 1.808 10 30 ADEEMO C=CC[C@H]1CC[N@@H+](Cc2c[nH]cn2)C1 625701320 347290024 /nfs/dbraw/zinc/29/00/24/347290024.db2.gz ISBVBPSHTBUPJW-JTQLQIEISA-N 1 1 191.278 1.808 10 30 ADEEMO C=CC[C@H]1CC[N@H+](CCOCC)C1 625702533 347290038 /nfs/dbraw/zinc/29/00/38/347290038.db2.gz GTZKJQVAROIZPX-NSHDSACASA-N 1 1 183.295 1.921 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+](Cc2cn[nH]c2)C1 625700680 347290045 /nfs/dbraw/zinc/29/00/45/347290045.db2.gz FBLIXENGGCSKPK-SNVBAGLBSA-N 1 1 191.278 1.808 10 30 ADEEMO C=CC[C@H]1CC[N@H+](C[C@@H](C)OC)C1 625700942 347290088 /nfs/dbraw/zinc/29/00/88/347290088.db2.gz FVYJDODTIDEWSR-MNOVXSKESA-N 1 1 183.295 1.919 10 30 ADEEMO C=CC[C@@H]1CC[N@H+](CCOC)C1 625703191 347291245 /nfs/dbraw/zinc/29/12/45/347291245.db2.gz MAWYOSCMNXCWPJ-SNVBAGLBSA-N 1 1 169.268 1.531 10 30 ADEEMO C=CC[C@@H]1CC[N@H+](CCCCO)C1 625700817 347290136 /nfs/dbraw/zinc/29/01/36/347290136.db2.gz MBVMRUFPOJCTMM-LLVKDONJSA-N 1 1 183.295 1.657 10 30 ADEEMO C=CC[C@@H]1CC[N@H+](C[C@@H](C)CO)C1 625703020 347290148 /nfs/dbraw/zinc/29/01/48/347290148.db2.gz PTLCKGKWYSZHJQ-GHMZBOCLSA-N 1 1 183.295 1.513 10 30 ADEEMO C=CC[C@H]1CC[N@H+](CCC(=O)NC)C1 625702217 347290172 /nfs/dbraw/zinc/29/01/72/347290172.db2.gz FMHGAJHELOJIKL-JTQLQIEISA-N 1 1 196.294 1.021 10 30 ADEEMO C=CC[C@H]1CC[N@H+](CC#CC)C1 625702395 347290182 /nfs/dbraw/zinc/29/01/82/347290182.db2.gz YAVBNTMKHVZCEV-NSHDSACASA-N 1 1 163.264 1.908 10 30 ADEEMO C=CC[C@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 625702679 347290189 /nfs/dbraw/zinc/29/01/89/347290189.db2.gz IANLIUGQHQAPPS-RYUDHWBXSA-N 1 1 195.306 1.921 10 30 ADEEMO C=CC[C@H]1CC[N@H+](C[C@H](C)O)C1 625701043 347290218 /nfs/dbraw/zinc/29/02/18/347290218.db2.gz HABZTWJRWVRWIF-UWVGGRQHSA-N 1 1 169.268 1.265 10 30 ADEEMO C=CC[C@H]1CC[N@H+](C[C@@H](C)O)C1 625701045 347290233 /nfs/dbraw/zinc/29/02/33/347290233.db2.gz HABZTWJRWVRWIF-ZJUUUORDSA-N 1 1 169.268 1.265 10 30 ADEEMO C=CC[C@H]1CC[N@H+](C[C@H](C)CO)C1 625703022 347290254 /nfs/dbraw/zinc/29/02/54/347290254.db2.gz PTLCKGKWYSZHJQ-QWRGUYRKSA-N 1 1 183.295 1.513 10 30 ADEEMO C=CC[C@H]1CC[N@@H+](Cc2cn[nH]c2)C1 625700679 347290269 /nfs/dbraw/zinc/29/02/69/347290269.db2.gz FBLIXENGGCSKPK-JTQLQIEISA-N 1 1 191.278 1.808 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+](C[C@H]2CCOC2)C1 625702682 347290282 /nfs/dbraw/zinc/29/02/82/347290282.db2.gz IANLIUGQHQAPPS-VXGBXAGGSA-N 1 1 195.306 1.921 10 30 ADEEMO C=CC[C@@H]1CC[N@H+](C[C@H](C)O)C1 625701044 347290333 /nfs/dbraw/zinc/29/03/33/347290333.db2.gz HABZTWJRWVRWIF-VHSXEESVSA-N 1 1 169.268 1.265 10 30 ADEEMO C=CC[C@@H]1CC[N@H+](C[C@H](C)CO)C1 625703023 347290339 /nfs/dbraw/zinc/29/03/39/347290339.db2.gz PTLCKGKWYSZHJQ-WDEREUQCSA-N 1 1 183.295 1.513 10 30 ADEEMO C=CC[C@H]1CC[N@H+](C[C@H](C)OC)C1 625700943 347290359 /nfs/dbraw/zinc/29/03/59/347290359.db2.gz FVYJDODTIDEWSR-QWRGUYRKSA-N 1 1 183.295 1.919 10 30 ADEEMO C=CC[C@H]1CC[N@H+](CCCOC)C1 625704038 347290765 /nfs/dbraw/zinc/29/07/65/347290765.db2.gz RISVCUJJLVREBG-NSHDSACASA-N 1 1 183.295 1.921 10 30 ADEEMO C=CC[C@H]1CC[N@H+](CC#CCOC)C1 625705634 347290807 /nfs/dbraw/zinc/29/08/07/347290807.db2.gz WOXSHKUZIIWAJO-LBPRGKRZSA-N 1 1 193.290 1.534 10 30 ADEEMO C=CC[C@@H]1CC[N@H+](CCCOC)C1 625704037 347290819 /nfs/dbraw/zinc/29/08/19/347290819.db2.gz RISVCUJJLVREBG-LLVKDONJSA-N 1 1 183.295 1.921 10 30 ADEEMO C=CC[C@H]1CC[N@@H+](Cc2cc[nH]n2)C1 625704607 347290953 /nfs/dbraw/zinc/29/09/53/347290953.db2.gz YVNITLWDACINIZ-JTQLQIEISA-N 1 1 191.278 1.808 10 30 ADEEMO C=CC[C@H]1CC[N@H+](CCCO)C1 625705273 347291002 /nfs/dbraw/zinc/29/10/02/347291002.db2.gz ZNJCNGDTNPZASI-JTQLQIEISA-N 1 1 169.268 1.267 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+](Cc2cc[nH]n2)C1 625704608 347291098 /nfs/dbraw/zinc/29/10/98/347291098.db2.gz YVNITLWDACINIZ-SNVBAGLBSA-N 1 1 191.278 1.808 10 30 ADEEMO C=CC[C@H]1CC[N@H+](CCOC)C1 625703190 347291106 /nfs/dbraw/zinc/29/11/06/347291106.db2.gz MAWYOSCMNXCWPJ-JTQLQIEISA-N 1 1 169.268 1.531 10 30 ADEEMO C=CC[C@@H]1CC[N@H+](CC#CCOC)C1 625705631 347291236 /nfs/dbraw/zinc/29/12/36/347291236.db2.gz WOXSHKUZIIWAJO-GFCCVEGCSA-N 1 1 193.290 1.534 10 30 ADEEMO CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)S2 625775155 347291706 /nfs/dbraw/zinc/29/17/06/347291706.db2.gz XVFYDCUTWKPCKE-MNOVXSKESA-N 1 1 195.331 1.980 10 30 ADEEMO C=C(CC)C[N@@H+](C)CC1(C)COC1 625790559 347292075 /nfs/dbraw/zinc/29/20/75/347292075.db2.gz DLMKGKXHPWQCMW-UHFFFAOYSA-N 1 1 183.295 1.921 10 30 ADEEMO C=CC[N@@H+]1CCO[C@H](CCF)C1 626000012 347294984 /nfs/dbraw/zinc/29/49/84/347294984.db2.gz HBPFSESDKHLDHU-SECBINFHSA-N 1 1 173.231 1.233 10 30 ADEEMO C=CC[N@H+]1CCO[C@H](CCF)C1 626000012 347294986 /nfs/dbraw/zinc/29/49/86/347294986.db2.gz HBPFSESDKHLDHU-SECBINFHSA-N 1 1 173.231 1.233 10 30 ADEEMO C=CC[N@@H+]1CCO[C@@H](CCF)C1 626000013 347295030 /nfs/dbraw/zinc/29/50/30/347295030.db2.gz HBPFSESDKHLDHU-VIFPVBQESA-N 1 1 173.231 1.233 10 30 ADEEMO C=CC[N@H+]1CCO[C@@H](CCF)C1 626000013 347295031 /nfs/dbraw/zinc/29/50/31/347295031.db2.gz HBPFSESDKHLDHU-VIFPVBQESA-N 1 1 173.231 1.233 10 30 ADEEMO C=C(C)C[N@@H+]1CCO[C@@H](CCF)C1 626000653 347295278 /nfs/dbraw/zinc/29/52/78/347295278.db2.gz VPDWPJIOSLWMFL-JTQLQIEISA-N 1 1 187.258 1.623 10 30 ADEEMO C=C(C)C[N@H+]1CCO[C@@H](CCF)C1 626000653 347295279 /nfs/dbraw/zinc/29/52/79/347295279.db2.gz VPDWPJIOSLWMFL-JTQLQIEISA-N 1 1 187.258 1.623 10 30 ADEEMO C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 626013464 347295285 /nfs/dbraw/zinc/29/52/85/347295285.db2.gz LJAKLQOZRYFEDZ-NWDGAFQWSA-N 1 1 195.306 1.657 10 30 ADEEMO CC#CCC[N@@H+]1CCO[C@H](CCF)C1 626004955 347295360 /nfs/dbraw/zinc/29/53/60/347295360.db2.gz ROCYWNGRNWCWLZ-LLVKDONJSA-N 1 1 199.269 1.460 10 30 ADEEMO CC#CCC[N@H+]1CCO[C@H](CCF)C1 626004955 347295362 /nfs/dbraw/zinc/29/53/62/347295362.db2.gz ROCYWNGRNWCWLZ-LLVKDONJSA-N 1 1 199.269 1.460 10 30 ADEEMO C=CCC[N@H+]1CCO[C@H](CCF)C1 626003046 347295399 /nfs/dbraw/zinc/29/53/99/347295399.db2.gz ZCWKYYSPFWNKNS-SNVBAGLBSA-N 1 1 187.258 1.623 10 30 ADEEMO CC#CC[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 626013358 347295449 /nfs/dbraw/zinc/29/54/49/347295449.db2.gz FKONEJVHWKYBPR-NWDGAFQWSA-N 1 1 193.290 1.104 10 30 ADEEMO C=C(C)CC[N@H+](C)[C@H]1C[C@@H](C(N)=O)C1 626039222 347295513 /nfs/dbraw/zinc/29/55/13/347295513.db2.gz VDOTYXOJOKVUPP-AOOOYVTPSA-N 1 1 196.294 1.148 10 30 ADEEMO C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 626011302 347295650 /nfs/dbraw/zinc/29/56/50/347295650.db2.gz FETXIQDBFMCDMS-NWDGAFQWSA-N 1 1 195.306 1.657 10 30 ADEEMO C=C(CC)C[N@@H+](C)[C@H]1C[C@@H](C(N)=O)C1 626038952 347295718 /nfs/dbraw/zinc/29/57/18/347295718.db2.gz JVFZRQUTHVBWRN-AOOOYVTPSA-N 1 1 196.294 1.148 10 30 ADEEMO CC#CCC[N@@H+]1CCO[C@@H](CCF)C1 626004956 347295979 /nfs/dbraw/zinc/29/59/79/347295979.db2.gz ROCYWNGRNWCWLZ-NSHDSACASA-N 1 1 199.269 1.460 10 30 ADEEMO CC#CCC[N@H+]1CCO[C@@H](CCF)C1 626004956 347295983 /nfs/dbraw/zinc/29/59/83/347295983.db2.gz ROCYWNGRNWCWLZ-NSHDSACASA-N 1 1 199.269 1.460 10 30 ADEEMO C=CCCC[N@H+](C)[C@H]1C[C@@H](C(N)=O)C1 626037868 347296063 /nfs/dbraw/zinc/29/60/63/347296063.db2.gz HMTBPZBBLNVGPK-AOOOYVTPSA-N 1 1 196.294 1.148 10 30 ADEEMO C=CC[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 626011301 347296068 /nfs/dbraw/zinc/29/60/68/347296068.db2.gz FCNOTBNUKLBBCA-WDEREUQCSA-N 1 1 181.279 1.267 10 30 ADEEMO C=C(C)C[N@@H+]1CCO[C@H](CCF)C1 626000654 347296093 /nfs/dbraw/zinc/29/60/93/347296093.db2.gz VPDWPJIOSLWMFL-SNVBAGLBSA-N 1 1 187.258 1.623 10 30 ADEEMO C=C(C)C[N@H+]1CCO[C@H](CCF)C1 626000654 347296095 /nfs/dbraw/zinc/29/60/95/347296095.db2.gz VPDWPJIOSLWMFL-SNVBAGLBSA-N 1 1 187.258 1.623 10 30 ADEEMO C=CC[N@@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 626137584 347298383 /nfs/dbraw/zinc/29/83/83/347298383.db2.gz MPCRPPNSRGGXFX-IVZWLZJFSA-N 1 1 167.252 1.018 10 30 ADEEMO C=CC[N@@H+]1CC[C@@H](CO)C[C@H]1C 626117713 347298429 /nfs/dbraw/zinc/29/84/29/347298429.db2.gz NCUCHCNFZFVVOP-NXEZZACHSA-N 1 1 169.268 1.265 10 30 ADEEMO C=CCC[N@@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 626138374 347298554 /nfs/dbraw/zinc/29/85/54/347298554.db2.gz SWSROWDGJJOFGT-HBNTYKKESA-N 1 1 181.279 1.408 10 30 ADEEMO C=CCC[N@@H+]1CC[C@@H](CO)C[C@H]1C 626118824 347298624 /nfs/dbraw/zinc/29/86/24/347298624.db2.gz PXTIZFTVNPFAJK-GHMZBOCLSA-N 1 1 183.295 1.655 10 30 ADEEMO CC#CCC[N@H+]1CC[C@@H](CO)C[C@H]1C 626120735 347298663 /nfs/dbraw/zinc/29/86/63/347298663.db2.gz MQUVURSIWMJRTP-VXGBXAGGSA-N 1 1 195.306 1.493 10 30 ADEEMO CC#CC[N@H+]1CC[C@@H](CO)C[C@H]1C 626118906 347298702 /nfs/dbraw/zinc/29/87/02/347298702.db2.gz XGFMIYUMGPEEBY-GHMZBOCLSA-N 1 1 181.279 1.103 10 30 ADEEMO C=C(C)C[N@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 626137110 347298755 /nfs/dbraw/zinc/29/87/55/347298755.db2.gz TZVXFEBQXSNJHT-HBNTYKKESA-N 1 1 181.279 1.408 10 30 ADEEMO C=C(C)C[N@@H+]1CC[C@@H](CO)C[C@H]1C 626118001 347298841 /nfs/dbraw/zinc/29/88/41/347298841.db2.gz WLGUAPDSDMYRIC-GHMZBOCLSA-N 1 1 183.295 1.655 10 30 ADEEMO C=CCCC[N@@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 626138143 347298998 /nfs/dbraw/zinc/29/89/98/347298998.db2.gz LKPSBOZYHQJNOK-QJPTWQEYSA-N 1 1 195.306 1.798 10 30 ADEEMO C=C(C)C[N@H+]1CCO[C@](C)(COC)C1 626171721 347299530 /nfs/dbraw/zinc/29/95/30/347299530.db2.gz IDDHJWOFGQLLTG-NSHDSACASA-N 1 1 199.294 1.300 10 30 ADEEMO C=C(C)C[N@H+]1CCO[C@@](C)(COC)C1 626171720 347299580 /nfs/dbraw/zinc/29/95/80/347299580.db2.gz IDDHJWOFGQLLTG-LLVKDONJSA-N 1 1 199.294 1.300 10 30 ADEEMO C=C(C)CC[N@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 626140109 347299667 /nfs/dbraw/zinc/29/96/67/347299667.db2.gz OFDUVBOQVPZTOX-QJPTWQEYSA-N 1 1 195.306 1.798 10 30 ADEEMO C=CCC[N@H+]1CCO[C@@](C)(COC)C1 626174047 347300004 /nfs/dbraw/zinc/30/00/04/347300004.db2.gz JEEIVNZTBZEHJG-LLVKDONJSA-N 1 1 199.294 1.300 10 30 ADEEMO CC#CCC[N@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 626140317 347300039 /nfs/dbraw/zinc/30/00/39/347300039.db2.gz WWQMQBJNJPPTQM-QJPTWQEYSA-N 1 1 193.290 1.245 10 30 ADEEMO C=CCC[N@H+]1CCO[C@](C)(COC)C1 626174048 347300434 /nfs/dbraw/zinc/30/04/34/347300434.db2.gz JEEIVNZTBZEHJG-NSHDSACASA-N 1 1 199.294 1.300 10 30 ADEEMO C=C(C)C[N@@H+](C)Cc1cnc(C)o1 628234568 347312966 /nfs/dbraw/zinc/31/29/66/347312966.db2.gz FJLIUPWBWWRDMU-UHFFFAOYSA-N 1 1 180.251 1.991 10 30 ADEEMO C=C(C)C[N@H+](C)Cc1cnc(C)o1 628234568 347312967 /nfs/dbraw/zinc/31/29/67/347312967.db2.gz FJLIUPWBWWRDMU-UHFFFAOYSA-N 1 1 180.251 1.991 10 30 ADEEMO C=CC[N@@H+](C)Cc1cnc(C)o1 628241513 347312998 /nfs/dbraw/zinc/31/29/98/347312998.db2.gz ZBFVZIQSCMEQFM-UHFFFAOYSA-N 1 1 166.224 1.601 10 30 ADEEMO C=CC[N@H+](C)Cc1cnc(C)o1 628241513 347312999 /nfs/dbraw/zinc/31/29/99/347312999.db2.gz ZBFVZIQSCMEQFM-UHFFFAOYSA-N 1 1 166.224 1.601 10 30 ADEEMO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1cnn[nH]1 628362718 347315287 /nfs/dbraw/zinc/31/52/87/347315287.db2.gz DPEKPAIQEVHYOM-RKDXNWHRSA-N 1 1 194.282 1.495 10 30 ADEEMO C=CCC[C@H](CC)[NH2+]Cc1cnn[nH]1 628363404 347315306 /nfs/dbraw/zinc/31/53/06/347315306.db2.gz IQUHKOBHJOQCLR-VIFPVBQESA-N 1 1 194.282 1.639 10 30 ADEEMO C=CC[C@H](C)[C@H](C)[NH2+]Cc1cnn[nH]1 628362717 347315693 /nfs/dbraw/zinc/31/56/93/347315693.db2.gz DPEKPAIQEVHYOM-IUCAKERBSA-N 1 1 194.282 1.495 10 30 ADEEMO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1cnn[nH]1 628362716 347315731 /nfs/dbraw/zinc/31/57/31/347315731.db2.gz DPEKPAIQEVHYOM-DTWKUNHWSA-N 1 1 194.282 1.495 10 30 ADEEMO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1cnn[nH]1 628362715 347315776 /nfs/dbraw/zinc/31/57/76/347315776.db2.gz DPEKPAIQEVHYOM-BDAKNGLRSA-N 1 1 194.282 1.495 10 30 ADEEMO C=CCC[C@@H](CC)[NH2+]Cc1cnn[nH]1 628363403 347315882 /nfs/dbraw/zinc/31/58/82/347315882.db2.gz IQUHKOBHJOQCLR-SECBINFHSA-N 1 1 194.282 1.639 10 30 ADEEMO C=CC[C@@H](C)[C@H](C)N[C@@H]1CC[NH2+][C@H]1C 629408805 347342812 /nfs/dbraw/zinc/34/28/12/347342812.db2.gz ZXOXTWSBXMFVAJ-NOOOWODRSA-N 1 1 196.338 1.927 10 30 ADEEMO C=CC[C@H](C)[C@H](C)N[C@@H]1CC[NH2+][C@H]1C 629408803 347342980 /nfs/dbraw/zinc/34/29/80/347342980.db2.gz ZXOXTWSBXMFVAJ-FIQHERPVSA-N 1 1 196.338 1.927 10 30 ADEEMO C=CC[C@@H](C)[C@@H](C)N[C@@H]1CC[NH2+][C@H]1C 629408808 347343081 /nfs/dbraw/zinc/34/30/81/347343081.db2.gz ZXOXTWSBXMFVAJ-WISYIIOYSA-N 1 1 196.338 1.927 10 30 ADEEMO C=CC[C@H](C)[C@@H](C)N[C@@H]1CC[NH2+][C@H]1C 629408806 347343251 /nfs/dbraw/zinc/34/32/51/347343251.db2.gz ZXOXTWSBXMFVAJ-WHOHXGKFSA-N 1 1 196.338 1.927 10 30 ADEEMO C=CCC[C@H](C)N[C@@H]1CC[NH2+][C@H]1C 629406236 347343366 /nfs/dbraw/zinc/34/33/66/347343366.db2.gz KYVUPKAVFYNFRK-GARJFASQSA-N 1 1 182.311 1.681 10 30 ADEEMO C=CCC[C@@H](C)N[C@@H]1CC[NH2+][C@H]1C 629406237 347343454 /nfs/dbraw/zinc/34/34/54/347343454.db2.gz KYVUPKAVFYNFRK-OUAUKWLOSA-N 1 1 182.311 1.681 10 30 ADEEMO C=CC[C@@H]1CC[N@H+](C[C@@H](C)[NH3+])C1 629551895 347348634 /nfs/dbraw/zinc/34/86/34/347348634.db2.gz YKURKXZJPBAIDE-NXEZZACHSA-N 1 1 168.284 1.232 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+](C[C@@H](C)N)C1 629551895 347348635 /nfs/dbraw/zinc/34/86/35/347348635.db2.gz YKURKXZJPBAIDE-NXEZZACHSA-N 1 1 168.284 1.232 10 30 ADEEMO C=CC[C@@H]1CC[N@H+](C[C@@H](C)N)C1 629551895 347348637 /nfs/dbraw/zinc/34/86/37/347348637.db2.gz YKURKXZJPBAIDE-NXEZZACHSA-N 1 1 168.284 1.232 10 30 ADEEMO C=CC[C@H]1CC[N@H+](C[C@H](C)[NH3+])C1 629551896 347348785 /nfs/dbraw/zinc/34/87/85/347348785.db2.gz YKURKXZJPBAIDE-UWVGGRQHSA-N 1 1 168.284 1.232 10 30 ADEEMO C=CC[C@H]1CC[N@@H+](C[C@H](C)N)C1 629551896 347348788 /nfs/dbraw/zinc/34/87/88/347348788.db2.gz YKURKXZJPBAIDE-UWVGGRQHSA-N 1 1 168.284 1.232 10 30 ADEEMO C=CC[C@H]1CC[N@H+](C[C@H](C)N)C1 629551896 347348790 /nfs/dbraw/zinc/34/87/90/347348790.db2.gz YKURKXZJPBAIDE-UWVGGRQHSA-N 1 1 168.284 1.232 10 30 ADEEMO C=CC[C@@H]1CC[N@H+](CCC[NH3+])C1 629550903 347348876 /nfs/dbraw/zinc/34/88/76/347348876.db2.gz QAKSMKAYOVIQPX-SNVBAGLBSA-N 1 1 168.284 1.233 10 30 ADEEMO C=CC[C@@H]1CC[N@H+](C[C@H](C)[NH3+])C1 629551897 347348941 /nfs/dbraw/zinc/34/89/41/347348941.db2.gz YKURKXZJPBAIDE-VHSXEESVSA-N 1 1 168.284 1.232 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+](C[C@H](C)N)C1 629551897 347348943 /nfs/dbraw/zinc/34/89/43/347348943.db2.gz YKURKXZJPBAIDE-VHSXEESVSA-N 1 1 168.284 1.232 10 30 ADEEMO C=CC[C@@H]1CC[N@H+](C[C@H](C)N)C1 629551897 347348945 /nfs/dbraw/zinc/34/89/45/347348945.db2.gz YKURKXZJPBAIDE-VHSXEESVSA-N 1 1 168.284 1.232 10 30 ADEEMO C=CC[C@H]1CC[N@H+](CCC[NH3+])C1 629550900 347349029 /nfs/dbraw/zinc/34/90/29/347349029.db2.gz QAKSMKAYOVIQPX-JTQLQIEISA-N 1 1 168.284 1.233 10 30 ADEEMO C=CC[C@H]1CC[N@H+](C[C@@H](C)[NH3+])C1 629551898 347349064 /nfs/dbraw/zinc/34/90/64/347349064.db2.gz YKURKXZJPBAIDE-ZJUUUORDSA-N 1 1 168.284 1.232 10 30 ADEEMO C=CC[C@H]1CC[N@H+](C[C@@H](C)N)C1 629551898 347349069 /nfs/dbraw/zinc/34/90/69/347349069.db2.gz YKURKXZJPBAIDE-ZJUUUORDSA-N 1 1 168.284 1.232 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+](CC(C)(C)N)C1 629649979 347354028 /nfs/dbraw/zinc/35/40/28/347354028.db2.gz MUNLQZOHLSIMNU-SNVBAGLBSA-N 1 1 182.311 1.622 10 30 ADEEMO C=CC[C@@H]1CC[N@H+](CC(C)(C)N)C1 629649979 347354029 /nfs/dbraw/zinc/35/40/29/347354029.db2.gz MUNLQZOHLSIMNU-SNVBAGLBSA-N 1 1 182.311 1.622 10 30 ADEEMO C=CC[C@H]1CC[N@@H+](CC(C)(C)N)C1 629649978 347354302 /nfs/dbraw/zinc/35/43/02/347354302.db2.gz MUNLQZOHLSIMNU-JTQLQIEISA-N 1 1 182.311 1.622 10 30 ADEEMO C=CC[C@H]1CC[N@H+](CC(C)(C)N)C1 629649978 347354303 /nfs/dbraw/zinc/35/43/03/347354303.db2.gz MUNLQZOHLSIMNU-JTQLQIEISA-N 1 1 182.311 1.622 10 30 ADEEMO C=CCC[N@H+]1C[C@H](OC)C[C@@]1(C)CN 630361957 347361383 /nfs/dbraw/zinc/36/13/83/347361383.db2.gz LRSWUAHMFLUPQH-MNOVXSKESA-N 1 1 198.310 1.001 10 30 ADEEMO C=CCC[N@@H+]1C[C@H](OC)C[C@@]1(C)CN 630361957 347361384 /nfs/dbraw/zinc/36/13/84/347361384.db2.gz LRSWUAHMFLUPQH-MNOVXSKESA-N 1 1 198.310 1.001 10 30 ADEEMO C=CCCN1C[C@H](OC)C[C@@]1(C)C[NH3+] 630361957 347361387 /nfs/dbraw/zinc/36/13/87/347361387.db2.gz LRSWUAHMFLUPQH-MNOVXSKESA-N 1 1 198.310 1.001 10 30 ADEEMO C=CCC[N@H+]1C[C@@H](OC)C[C@@]1(C)CN 630361958 347361393 /nfs/dbraw/zinc/36/13/93/347361393.db2.gz LRSWUAHMFLUPQH-QWRGUYRKSA-N 1 1 198.310 1.001 10 30 ADEEMO C=CCC[N@@H+]1C[C@@H](OC)C[C@@]1(C)CN 630361958 347361394 /nfs/dbraw/zinc/36/13/94/347361394.db2.gz LRSWUAHMFLUPQH-QWRGUYRKSA-N 1 1 198.310 1.001 10 30 ADEEMO C=CCCN1C[C@@H](OC)C[C@@]1(C)C[NH3+] 630361958 347361395 /nfs/dbraw/zinc/36/13/95/347361395.db2.gz LRSWUAHMFLUPQH-QWRGUYRKSA-N 1 1 198.310 1.001 10 30 ADEEMO C=CCC[N@H+]1C[C@@H](OC)C[C@]1(C)CN 630361959 347361743 /nfs/dbraw/zinc/36/17/43/347361743.db2.gz LRSWUAHMFLUPQH-WDEREUQCSA-N 1 1 198.310 1.001 10 30 ADEEMO C=CCC[N@@H+]1C[C@@H](OC)C[C@]1(C)CN 630361959 347361747 /nfs/dbraw/zinc/36/17/47/347361747.db2.gz LRSWUAHMFLUPQH-WDEREUQCSA-N 1 1 198.310 1.001 10 30 ADEEMO C=CCCN1C[C@@H](OC)C[C@]1(C)C[NH3+] 630361959 347361750 /nfs/dbraw/zinc/36/17/50/347361750.db2.gz LRSWUAHMFLUPQH-WDEREUQCSA-N 1 1 198.310 1.001 10 30 ADEEMO C=CCC[N@H+]1C[C@H](OC)C[C@]1(C)CN 630361956 347361798 /nfs/dbraw/zinc/36/17/98/347361798.db2.gz LRSWUAHMFLUPQH-GHMZBOCLSA-N 1 1 198.310 1.001 10 30 ADEEMO C=CCC[N@@H+]1C[C@H](OC)C[C@]1(C)CN 630361956 347361803 /nfs/dbraw/zinc/36/18/03/347361803.db2.gz LRSWUAHMFLUPQH-GHMZBOCLSA-N 1 1 198.310 1.001 10 30 ADEEMO C=CCCN1C[C@H](OC)C[C@]1(C)C[NH3+] 630361956 347361808 /nfs/dbraw/zinc/36/18/08/347361808.db2.gz LRSWUAHMFLUPQH-GHMZBOCLSA-N 1 1 198.310 1.001 10 30 ADEEMO C=CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC 630409905 347364979 /nfs/dbraw/zinc/36/49/79/347364979.db2.gz KBNAHJQCIHUNLS-VHSXEESVSA-N 1 1 196.294 1.019 10 30 ADEEMO C=CCOCn1cc[nH+]c1CC 631013561 347374840 /nfs/dbraw/zinc/37/48/40/347374840.db2.gz BNDMYPBKMFSINX-UHFFFAOYSA-N 1 1 166.224 1.606 10 30 ADEEMO C=CCOCn1cc[nH+]c1C1CC1 631020673 347375701 /nfs/dbraw/zinc/37/57/01/347375701.db2.gz HEXWNKGVRUUSLT-UHFFFAOYSA-N 1 1 178.235 1.921 10 30 ADEEMO C=CCC[N@@H+]1CCCCC[C@H](N)C1 631833017 347388708 /nfs/dbraw/zinc/38/87/08/347388708.db2.gz QZKBZZABBVATDX-NSHDSACASA-N 1 1 182.311 1.766 10 30 ADEEMO C=CCC[N@@H+]1CCCCC[C@@H](N)C1 631833016 347388627 /nfs/dbraw/zinc/38/86/27/347388627.db2.gz QZKBZZABBVATDX-LLVKDONJSA-N 1 1 182.311 1.766 10 30 ADEEMO C=CCCN1CCCCC[C@@H]([NH3+])C1 631833016 347388631 /nfs/dbraw/zinc/38/86/31/347388631.db2.gz QZKBZZABBVATDX-LLVKDONJSA-N 1 1 182.311 1.766 10 30 ADEEMO C=CCCN1CCCCC[C@H]([NH3+])C1 631833017 347388712 /nfs/dbraw/zinc/38/87/12/347388712.db2.gz QZKBZZABBVATDX-NSHDSACASA-N 1 1 182.311 1.766 10 30 ADEEMO C=CCCN1CCC[C@H]2C[NH2+]CC[C@@H]21 631887990 347393226 /nfs/dbraw/zinc/39/32/26/347393226.db2.gz SHGMNNSRVQDQFT-RYUDHWBXSA-N 1 1 194.322 1.636 10 30 ADEEMO C=CCCN1CCC[C@@H]2C[NH2+]CC[C@@H]21 631887988 347393545 /nfs/dbraw/zinc/39/35/45/347393545.db2.gz SHGMNNSRVQDQFT-NEPJUHHUSA-N 1 1 194.322 1.636 10 30 ADEEMO C=CCCN1CCC[C@H]2C[NH2+]CC[C@H]21 631887989 347393686 /nfs/dbraw/zinc/39/36/86/347393686.db2.gz SHGMNNSRVQDQFT-NWDGAFQWSA-N 1 1 194.322 1.636 10 30 ADEEMO C=CCCN1CCC[C@@H]2C[NH2+]CC[C@H]21 631887991 347393798 /nfs/dbraw/zinc/39/37/98/347393798.db2.gz SHGMNNSRVQDQFT-VXGBXAGGSA-N 1 1 194.322 1.636 10 30 ADEEMO C=CC[N@H+](C)[C@H]1CCCCN(C)C1=O 634737338 347427028 /nfs/dbraw/zinc/42/70/28/347427028.db2.gz PQYOTRIQOVOKBD-JTQLQIEISA-N 1 1 196.294 1.115 10 30 ADEEMO C=CC[N@H+]1CCO[C@@H](C(F)F)CC1 634749867 347427299 /nfs/dbraw/zinc/42/72/99/347427299.db2.gz HVQNWCKHWFKBET-MRVPVSSYSA-N 1 1 191.221 1.528 10 30 ADEEMO C=CC[N@H+]1CCO[C@H](C(F)F)CC1 634749868 347427500 /nfs/dbraw/zinc/42/75/00/347427500.db2.gz HVQNWCKHWFKBET-QMMMGPOBSA-N 1 1 191.221 1.528 10 30 ADEEMO C=CC[N@H+](C)[C@@H]1CCCCN(C)C1=O 634737339 347427543 /nfs/dbraw/zinc/42/75/43/347427543.db2.gz PQYOTRIQOVOKBD-SNVBAGLBSA-N 1 1 196.294 1.115 10 30 ADEEMO C=C(C)CC[N@@H+]1C[C@H]2COC[C@H]2C1 634779224 347427912 /nfs/dbraw/zinc/42/79/12/347427912.db2.gz IJCFLYWKYAMVEM-PHIMTYICSA-N 1 1 181.279 1.531 10 30 ADEEMO C=C[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 635674857 347446072 /nfs/dbraw/zinc/44/60/72/347446072.db2.gz PEEJAMAPUHLAIR-UWVGGRQHSA-N 1 1 196.294 1.019 10 30 ADEEMO C=C[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 635674856 347446191 /nfs/dbraw/zinc/44/61/91/347446191.db2.gz PEEJAMAPUHLAIR-NXEZZACHSA-N 1 1 196.294 1.019 10 30 ADEEMO C=C[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 635674858 347446419 /nfs/dbraw/zinc/44/64/19/347446419.db2.gz PEEJAMAPUHLAIR-VHSXEESVSA-N 1 1 196.294 1.019 10 30 ADEEMO C=C[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 635674860 347446426 /nfs/dbraw/zinc/44/64/26/347446426.db2.gz PEEJAMAPUHLAIR-ZJUUUORDSA-N 1 1 196.294 1.019 10 30 ADEEMO C=C(C)CNC(=O)C[C@H]1CC[N@H+](C)C1 635821534 347449040 /nfs/dbraw/zinc/44/90/40/347449040.db2.gz XCXMFTCTIHFEAW-SNVBAGLBSA-N 1 1 196.294 1.021 10 30 ADEEMO C=C(C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 635821533 347449108 /nfs/dbraw/zinc/44/91/08/347449108.db2.gz XCXMFTCTIHFEAW-JTQLQIEISA-N 1 1 196.294 1.021 10 30 ADEEMO C=CCCNC(=O)C[C@H]1CC[N@H+](C)C1 636169489 347454324 /nfs/dbraw/zinc/45/43/24/347454324.db2.gz KMDYHKMGTCTTLE-SNVBAGLBSA-N 1 1 196.294 1.021 10 30 ADEEMO C=CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 636169488 347454461 /nfs/dbraw/zinc/45/44/61/347454461.db2.gz KMDYHKMGTCTTLE-JTQLQIEISA-N 1 1 196.294 1.021 10 30 ADEEMO C=C(C)C[N@H+](C)C[C@]1(OC)CCOC1 638909635 347495663 /nfs/dbraw/zinc/49/56/63/347495663.db2.gz HVSWMVKWRAYEFG-LLVKDONJSA-N 1 1 199.294 1.300 10 30 ADEEMO C=C(C)C[N@H+](C)C[C@@]1(OC)CCOC1 638909636 347496025 /nfs/dbraw/zinc/49/60/25/347496025.db2.gz HVSWMVKWRAYEFG-NSHDSACASA-N 1 1 199.294 1.300 10 30 ADEEMO C=CC[C@H](CO)[NH2+]Cc1ncc(C)o1 639044537 347500218 /nfs/dbraw/zinc/50/02/18/347500218.db2.gz AYRDGNBLHUCIAT-SECBINFHSA-N 1 1 196.250 1.010 10 30 ADEEMO C=CC[N@@H+](C)CCC[C@@H]1CCO1 639068503 347500496 /nfs/dbraw/zinc/50/04/96/347500496.db2.gz WFAZQPSCKSYNKY-SNVBAGLBSA-N 1 1 169.268 1.673 10 30 ADEEMO C=CC[N@@H+](C)CCC[C@H]1CCO1 639068502 347500644 /nfs/dbraw/zinc/50/06/44/347500644.db2.gz WFAZQPSCKSYNKY-JTQLQIEISA-N 1 1 169.268 1.673 10 30 ADEEMO C=CC[N@@H+](C)Cc1ccns1 639067929 347500708 /nfs/dbraw/zinc/50/07/08/347500708.db2.gz OOKREJOZTKFWEE-UHFFFAOYSA-N 1 1 168.265 1.761 10 30 ADEEMO C=CC[N@H+](C)Cc1ccns1 639067929 347500711 /nfs/dbraw/zinc/50/07/11/347500711.db2.gz OOKREJOZTKFWEE-UHFFFAOYSA-N 1 1 168.265 1.761 10 30 ADEEMO C=CC[N@H+](C)Cc1ccc(=O)[nH]c1 639064005 347500997 /nfs/dbraw/zinc/50/09/97/347500997.db2.gz BCBMRXNAHLOGTL-UHFFFAOYSA-N 1 1 178.235 1.405 10 30 ADEEMO C=CCCC[N@H+](C)CC(C)=O 639499297 347521463 /nfs/dbraw/zinc/52/14/63/347521463.db2.gz HADZQKHBNGOUAT-UHFFFAOYSA-N 1 1 155.241 1.473 10 30 ADEEMO C=C(C)C[N@@H+](C)CC(C)=O 639570305 347524568 /nfs/dbraw/zinc/52/45/68/347524568.db2.gz BMIJATAEIGVQOM-UHFFFAOYSA-N 1 1 141.214 1.083 10 30 ADEEMO C=C(C)C[N@H+](C)CC(C)=O 639570305 347524570 /nfs/dbraw/zinc/52/45/70/347524570.db2.gz BMIJATAEIGVQOM-UHFFFAOYSA-N 1 1 141.214 1.083 10 30 ADEEMO C=C(C)C[N@H+](C)Cc1cc[nH]c(=O)c1 639572700 347525382 /nfs/dbraw/zinc/52/53/82/347525382.db2.gz TWAYYRUBSSHLCT-UHFFFAOYSA-N 1 1 192.262 1.795 10 30 ADEEMO C=CCC[N@H+](C)C[C@@H]1CCO[C@@H]1C 639608596 347527584 /nfs/dbraw/zinc/52/75/84/347527584.db2.gz HHAYLUMLZHFSMN-MNOVXSKESA-N 1 1 183.295 1.919 10 30 ADEEMO C=CC[N@H+](C)Cc1cc[nH]c(=O)c1 639595620 347527715 /nfs/dbraw/zinc/52/77/15/347527715.db2.gz KRZXZBCAPICXGF-UHFFFAOYSA-N 1 1 178.235 1.405 10 30 ADEEMO C=CC[N@H+](C)C[C@H]1CC(C)(C)CO1 639595663 347527764 /nfs/dbraw/zinc/52/77/64/347527764.db2.gz LYMPMPMOLODKJC-SNVBAGLBSA-N 1 1 183.295 1.919 10 30 ADEEMO C=CC[N@H+](C)C[C@@H]1CC(C)(C)CO1 639595662 347527796 /nfs/dbraw/zinc/52/77/96/347527796.db2.gz LYMPMPMOLODKJC-JTQLQIEISA-N 1 1 183.295 1.919 10 30 ADEEMO C=CCC[N@H+](C)C[C@H]1CCO[C@H]1C 639608598 347527817 /nfs/dbraw/zinc/52/78/17/347527817.db2.gz HHAYLUMLZHFSMN-WDEREUQCSA-N 1 1 183.295 1.919 10 30 ADEEMO C=CCC[N@H+](C)C[C@H]1CCO[C@@H]1C 639608595 347527831 /nfs/dbraw/zinc/52/78/31/347527831.db2.gz HHAYLUMLZHFSMN-GHMZBOCLSA-N 1 1 183.295 1.919 10 30 ADEEMO C=CCC[N@H+](C)C[C@@H]1CCO[C@H]1C 639608597 347527837 /nfs/dbraw/zinc/52/78/37/347527837.db2.gz HHAYLUMLZHFSMN-QWRGUYRKSA-N 1 1 183.295 1.919 10 30 ADEEMO C=C[C@@H]1CCCC[N@@H+]1CC(C)=O 639616341 347528450 /nfs/dbraw/zinc/52/84/50/347528450.db2.gz FNDXXJTVBPRPPT-SNVBAGLBSA-N 1 1 167.252 1.616 10 30 ADEEMO C=CCC[N@H+](C)Cc1cc[nH]c(=O)c1 639610217 347528798 /nfs/dbraw/zinc/52/87/98/347528798.db2.gz YSMUUTYQOZPZDC-UHFFFAOYSA-N 1 1 192.262 1.795 10 30 ADEEMO C=C[C@H]1CCCC[N@@H+]1CC(C)=O 639616340 347528838 /nfs/dbraw/zinc/52/88/38/347528838.db2.gz FNDXXJTVBPRPPT-JTQLQIEISA-N 1 1 167.252 1.616 10 30 ADEEMO CC#CC[N@@H+](C)C[C@@H]1CC(C)(C)CO1 639660407 347530896 /nfs/dbraw/zinc/53/08/96/347530896.db2.gz VNXWZZTWPSVJLE-NSHDSACASA-N 1 1 195.306 1.757 10 30 ADEEMO CC#CC[N@@H+](C)C[C@H]1CC(C)(C)CO1 639660406 347530927 /nfs/dbraw/zinc/53/09/27/347530927.db2.gz VNXWZZTWPSVJLE-LLVKDONJSA-N 1 1 195.306 1.757 10 30 ADEEMO CC#CC[N@@H+](C)Cc1cc[nH]c(=O)c1 639659069 347531131 /nfs/dbraw/zinc/53/11/31/347531131.db2.gz LWGCQZMQKUGIAS-UHFFFAOYSA-N 1 1 190.246 1.242 10 30 ADEEMO C=CCC[N@@H+]1C[C@H](C)N(CC)[C@H](C)C1 639742469 347533668 /nfs/dbraw/zinc/53/36/68/347533668.db2.gz NANOOIBDEGGYEC-TXEJJXNPSA-N 1 1 196.338 1.977 10 30 ADEEMO C=CCCN1C[C@H](C)[N@@H+](CC)[C@H](C)C1 639742469 347533669 /nfs/dbraw/zinc/53/36/69/347533669.db2.gz NANOOIBDEGGYEC-TXEJJXNPSA-N 1 1 196.338 1.977 10 30 ADEEMO C=CCCN1C[C@H](C)[N@H+](CC)[C@H](C)C1 639742469 347533671 /nfs/dbraw/zinc/53/36/71/347533671.db2.gz NANOOIBDEGGYEC-TXEJJXNPSA-N 1 1 196.338 1.977 10 30 ADEEMO CC#CCN1C[C@H](C)[N@H+](CC)[C@H](C)C1 639743649 347533694 /nfs/dbraw/zinc/53/36/94/347533694.db2.gz RTHAAOPTYJKLMH-TXEJJXNPSA-N 1 1 194.322 1.424 10 30 ADEEMO C=CCN1C[C@H](C)[N@H+](CC)[C@H](C)C1 639742926 347533754 /nfs/dbraw/zinc/53/37/54/347533754.db2.gz DHOHVSUYXJHNNA-PHIMTYICSA-N 1 1 182.311 1.587 10 30 ADEEMO C=CC[N@H+]1C[C@H](C)N(CC)[C@H](C)C1 639742926 347533757 /nfs/dbraw/zinc/53/37/57/347533757.db2.gz DHOHVSUYXJHNNA-PHIMTYICSA-N 1 1 182.311 1.587 10 30 ADEEMO C=CC[N@@H+]1C[C@H](C)N(CC)[C@H](C)C1 639742926 347533760 /nfs/dbraw/zinc/53/37/60/347533760.db2.gz DHOHVSUYXJHNNA-PHIMTYICSA-N 1 1 182.311 1.587 10 30 ADEEMO C=C(C)CN1C[C@H](C)[N@H+](CC)[C@H](C)C1 639742736 347533799 /nfs/dbraw/zinc/53/37/99/347533799.db2.gz BDUVTKDJVKJFJB-TXEJJXNPSA-N 1 1 196.338 1.977 10 30 ADEEMO C=C(C)C[N@H+]1C[C@H](C)N(CC)[C@H](C)C1 639742736 347533803 /nfs/dbraw/zinc/53/38/03/347533803.db2.gz BDUVTKDJVKJFJB-TXEJJXNPSA-N 1 1 196.338 1.977 10 30 ADEEMO C=C(C)C[N@@H+]1C[C@H](C)N(CC)[C@H](C)C1 639742736 347533805 /nfs/dbraw/zinc/53/38/05/347533805.db2.gz BDUVTKDJVKJFJB-TXEJJXNPSA-N 1 1 196.338 1.977 10 30 ADEEMO CC#CC[N@H+]1CCC[C@@H]1c1cn[nH]c1 639777897 347534393 /nfs/dbraw/zinc/53/43/93/347534393.db2.gz NYNSOSJPBNLYEG-LLVKDONJSA-N 1 1 189.262 1.570 10 30 ADEEMO C=CC[N@H+]1CCC[C@@H]1c1cn[nH]c1 639780700 347534528 /nfs/dbraw/zinc/53/45/28/347534528.db2.gz GBAAUFDYAZWOAQ-SNVBAGLBSA-N 1 1 177.251 1.733 10 30 ADEEMO C=CC[N@H+]1CCC[C@H]1c1cn[nH]c1 639780699 347534705 /nfs/dbraw/zinc/53/47/05/347534705.db2.gz GBAAUFDYAZWOAQ-JTQLQIEISA-N 1 1 177.251 1.733 10 30 ADEEMO C=CCN1CC[N@H+](C)[C@@H](C(C)(C)C)C1 639750562 347534798 /nfs/dbraw/zinc/53/47/98/347534798.db2.gz WTSRHJAFPZQLHM-LLVKDONJSA-N 1 1 196.338 1.835 10 30 ADEEMO C=CC[N@@H+]1CCN(C)[C@@H](C(C)(C)C)C1 639750562 347534804 /nfs/dbraw/zinc/53/48/04/347534804.db2.gz WTSRHJAFPZQLHM-LLVKDONJSA-N 1 1 196.338 1.835 10 30 ADEEMO CC#CC[N@H+]1CCC[C@H]1c1cn[nH]c1 639777898 347534813 /nfs/dbraw/zinc/53/48/13/347534813.db2.gz NYNSOSJPBNLYEG-NSHDSACASA-N 1 1 189.262 1.570 10 30 ADEEMO C=CCN1CC[N@H+](C)[C@H](C(C)(C)C)C1 639750563 347534913 /nfs/dbraw/zinc/53/49/13/347534913.db2.gz WTSRHJAFPZQLHM-NSHDSACASA-N 1 1 196.338 1.835 10 30 ADEEMO C=CC[N@H+]1CCN(C)[C@H](C(C)(C)C)C1 639750563 347534917 /nfs/dbraw/zinc/53/49/17/347534917.db2.gz WTSRHJAFPZQLHM-NSHDSACASA-N 1 1 196.338 1.835 10 30 ADEEMO C=CC[N@@H+]1CCN(C)[C@H](C(C)(C)C)C1 639750563 347534919 /nfs/dbraw/zinc/53/49/19/347534919.db2.gz WTSRHJAFPZQLHM-NSHDSACASA-N 1 1 196.338 1.835 10 30 ADEEMO C=CC[N@H+](CC(C)=O)C(C)(C)C 639826688 347536196 /nfs/dbraw/zinc/53/61/96/347536196.db2.gz COUVXASIZNGYKS-UHFFFAOYSA-N 1 1 169.268 1.862 10 30 ADEEMO C=CC[C@@H]1CC[N@H+](CC(C)=O)C1 639891225 347539152 /nfs/dbraw/zinc/53/91/52/347539152.db2.gz WZLKVIRIQVGGJF-SNVBAGLBSA-N 1 1 167.252 1.473 10 30 ADEEMO C=CC[C@H]1CC[N@H+](CC(C)=O)C1 639891206 347539362 /nfs/dbraw/zinc/53/93/62/347539362.db2.gz WZLKVIRIQVGGJF-JTQLQIEISA-N 1 1 167.252 1.473 10 30 ADEEMO C=C1C[C@@H]2CC[C@H](C1)[N@H+]2CC(C)=O 639864210 347539576 /nfs/dbraw/zinc/53/95/76/347539576.db2.gz WHJLSKDBTBBGNL-PHIMTYICSA-N 1 1 179.263 1.758 10 30 ADEEMO C=CCC[N@@H+]1CC[C@@H](C)C[C@H]1CO 639935756 347540138 /nfs/dbraw/zinc/54/01/38/347540138.db2.gz GGMHOEMUHNEPKH-MNOVXSKESA-N 1 1 183.295 1.655 10 30 ADEEMO C=CC[N@@H+]1CC[C@@H](C)C[C@H]1CO 639936184 347540156 /nfs/dbraw/zinc/54/01/56/347540156.db2.gz UCQODOMGRGGYIM-ZJUUUORDSA-N 1 1 169.268 1.265 10 30 ADEEMO CC#CC[N@H+]1CC[C@@H](C)C[C@H]1CO 639935714 347540182 /nfs/dbraw/zinc/54/01/82/347540182.db2.gz DUOJGSWQJXFXKU-MNOVXSKESA-N 1 1 181.279 1.103 10 30 ADEEMO C=C(C)C[N@@H+]1CC[C@@H](C)C[C@H]1CO 639935652 347540300 /nfs/dbraw/zinc/54/03/00/347540300.db2.gz LLRNYAIXWHASQR-MNOVXSKESA-N 1 1 183.295 1.655 10 30 ADEEMO C=CCOCC[N@@H+]1CC[C@@H](O)C[C@H]1C 639938660 347540516 /nfs/dbraw/zinc/54/05/16/347540516.db2.gz HOTHDVUOJXHWNG-GHMZBOCLSA-N 1 1 199.294 1.034 10 30 ADEEMO C=C(C)C[N@@H+]1C[C@@H](OC)C[C@@]1(C)CO 639999256 347541876 /nfs/dbraw/zinc/54/18/76/347541876.db2.gz XUPVZOVHDIEMOZ-QWRGUYRKSA-N 1 1 199.294 1.034 10 30 ADEEMO C=CCC[N@@H+]1C[C@@H](OC)C[C@@]1(C)CO 639998633 347541888 /nfs/dbraw/zinc/54/18/88/347541888.db2.gz FCPNKAIZUKLCNP-QWRGUYRKSA-N 1 1 199.294 1.034 10 30 ADEEMO C=CCC[N@@H+]1C[C@@H](OC)C[C@]1(C)CO 639998634 347541898 /nfs/dbraw/zinc/54/18/98/347541898.db2.gz FCPNKAIZUKLCNP-WDEREUQCSA-N 1 1 199.294 1.034 10 30 ADEEMO C=C(C)C[N@@H+]1C[C@H](OC)C[C@]1(C)CO 639999254 347541942 /nfs/dbraw/zinc/54/19/42/347541942.db2.gz XUPVZOVHDIEMOZ-GHMZBOCLSA-N 1 1 199.294 1.034 10 30 ADEEMO C=C(C)C[N@@H+]1C[C@@H](OC)C[C@]1(C)CO 639999257 347542000 /nfs/dbraw/zinc/54/20/00/347542000.db2.gz XUPVZOVHDIEMOZ-WDEREUQCSA-N 1 1 199.294 1.034 10 30 ADEEMO C=CCC[N@@H+]1C[C@H](OC)C[C@@]1(C)CO 639998631 347542026 /nfs/dbraw/zinc/54/20/26/347542026.db2.gz FCPNKAIZUKLCNP-MNOVXSKESA-N 1 1 199.294 1.034 10 30 ADEEMO C=CCC[N@@H+]1C[C@H](OC)C[C@]1(C)CO 639998629 347542065 /nfs/dbraw/zinc/54/20/65/347542065.db2.gz FCPNKAIZUKLCNP-GHMZBOCLSA-N 1 1 199.294 1.034 10 30 ADEEMO C=C(C)C[N@@H+]1C[C@H](OC)C[C@@]1(C)CO 639999255 347542118 /nfs/dbraw/zinc/54/21/18/347542118.db2.gz XUPVZOVHDIEMOZ-MNOVXSKESA-N 1 1 199.294 1.034 10 30 ADEEMO C=CCCC[N@@H+]1C[C@@H]2C[C@]2(O)C1 640474910 347551092 /nfs/dbraw/zinc/55/10/92/347551092.db2.gz CUTUQEHZDUTRDG-UWVGGRQHSA-N 1 1 167.252 1.019 10 30 ADEEMO C=CCCC[N@@H+]1C[C@H]2C[C@@]2(O)C1 640474903 347551219 /nfs/dbraw/zinc/55/12/19/347551219.db2.gz CUTUQEHZDUTRDG-NXEZZACHSA-N 1 1 167.252 1.019 10 30 ADEEMO C=CCCC[C@H](C)[N@H+]1C[C@H]2C[C@@]2(O)C1 640477966 347552605 /nfs/dbraw/zinc/55/26/05/347552605.db2.gz AEURXMVCPHMSSA-QJPTWQEYSA-N 1 1 195.306 1.798 10 30 ADEEMO C=CCCC[C@H](C)[N@H+]1C[C@@H]2C[C@]2(O)C1 640477968 347552705 /nfs/dbraw/zinc/55/27/05/347552705.db2.gz AEURXMVCPHMSSA-SRVKXCTJSA-N 1 1 195.306 1.798 10 30 ADEEMO C=C(CC)C[N@H+]1C[C@H]2C[C@@]2(O)C1 640479784 347553255 /nfs/dbraw/zinc/55/32/55/347553255.db2.gz FQNUXDFBZPRBLO-NXEZZACHSA-N 1 1 167.252 1.019 10 30 ADEEMO C=C(C)CC[N@H+]1C[C@@H]2C[C@]2(O)C1 640482421 347553714 /nfs/dbraw/zinc/55/37/14/347553714.db2.gz RQHRCNKSUXRORU-UWVGGRQHSA-N 1 1 167.252 1.019 10 30 ADEEMO C=C(C)CC[N@H+]1C[C@H]2C[C@@]2(O)C1 640482419 347554020 /nfs/dbraw/zinc/55/40/20/347554020.db2.gz RQHRCNKSUXRORU-NXEZZACHSA-N 1 1 167.252 1.019 10 30 ADEEMO C=CCCCCC[N@@H+]1C[C@@H]2C[C@]2(O)C1 640485542 347554391 /nfs/dbraw/zinc/55/43/91/347554391.db2.gz HYNZWUNBQLUBPS-RYUDHWBXSA-N 1 1 195.306 1.799 10 30 ADEEMO C=CCCCC[N@@H+]1C[C@@H]2C[C@]2(O)C1 640486625 347554529 /nfs/dbraw/zinc/55/45/29/347554529.db2.gz MVMNNANKWJHLNH-QWRGUYRKSA-N 1 1 181.279 1.409 10 30 ADEEMO C=CCCCC[N@@H+]1C[C@H]2C[C@@]2(O)C1 640486623 347554645 /nfs/dbraw/zinc/55/46/45/347554645.db2.gz MVMNNANKWJHLNH-GHMZBOCLSA-N 1 1 181.279 1.409 10 30 ADEEMO C=CCCCCC[N@@H+]1C[C@H]2C[C@@]2(O)C1 640485543 347554678 /nfs/dbraw/zinc/55/46/78/347554678.db2.gz HYNZWUNBQLUBPS-VXGBXAGGSA-N 1 1 195.306 1.799 10 30 ADEEMO C=CCN1[C@H](C[NH3+])CC[C@@H](C)[C@H]1C 641805665 347585334 /nfs/dbraw/zinc/58/53/34/347585334.db2.gz GFWJBWWCBJJPAC-MXWKQRLJSA-N 1 1 182.311 1.620 10 30 ADEEMO C=CC[N@@H+]1[C@H](CN)CC[C@@H](C)[C@H]1C 641805665 347585329 /nfs/dbraw/zinc/58/53/29/347585329.db2.gz GFWJBWWCBJJPAC-MXWKQRLJSA-N 1 1 182.311 1.620 10 30 ADEEMO C=CC[N@@H+]1[C@H](CN)CC[C@H](C)[C@@H]1C 641805664 347585584 /nfs/dbraw/zinc/58/55/84/347585584.db2.gz GFWJBWWCBJJPAC-DCAQKATOSA-N 1 1 182.311 1.620 10 30 ADEEMO C=CCN1[C@H](C[NH3+])CC[C@H](C)[C@@H]1C 641805664 347585588 /nfs/dbraw/zinc/58/55/88/347585588.db2.gz GFWJBWWCBJJPAC-DCAQKATOSA-N 1 1 182.311 1.620 10 30 ADEEMO C=CC[N@@H+]1[C@H](CN)CC[C@H](C)[C@H]1C 641805663 347585708 /nfs/dbraw/zinc/58/57/08/347585708.db2.gz GFWJBWWCBJJPAC-AXFHLTTASA-N 1 1 182.311 1.620 10 30 ADEEMO C=CCN1[C@H](C[NH3+])CC[C@H](C)[C@H]1C 641805663 347585711 /nfs/dbraw/zinc/58/57/11/347585711.db2.gz GFWJBWWCBJJPAC-AXFHLTTASA-N 1 1 182.311 1.620 10 30 ADEEMO C=CC[N@@H+]1[C@H](CN)CC[C@@H](C)[C@@H]1C 641805667 347585780 /nfs/dbraw/zinc/58/57/80/347585780.db2.gz GFWJBWWCBJJPAC-VWYCJHECSA-N 1 1 182.311 1.620 10 30 ADEEMO C=CCN1[C@H](C[NH3+])CC[C@@H](C)[C@@H]1C 641805667 347585782 /nfs/dbraw/zinc/58/57/82/347585782.db2.gz GFWJBWWCBJJPAC-VWYCJHECSA-N 1 1 182.311 1.620 10 30 ADEEMO C=CC[N@H+](CCOC)CC(C)C 642635538 347598391 /nfs/dbraw/zinc/59/83/91/347598391.db2.gz DVYQBMGDLVPYKS-UHFFFAOYSA-N 1 1 171.284 1.777 10 30 ADEEMO C=C(C)[C@H](CO)[N@@H+]1C[C@H](C)[C@@H](C)[C@H]1C 642722195 347603551 /nfs/dbraw/zinc/60/35/51/347603551.db2.gz KPMBLUOIORCTJR-QCNOEVLYSA-N 1 1 197.322 1.900 10 30 ADEEMO C=C(C)[C@H](CO)[N@@H+]1C[C@H](C)[C@@H](C)[C@@H]1C 642722196 347603672 /nfs/dbraw/zinc/60/36/72/347603672.db2.gz KPMBLUOIORCTJR-USZNOCQGSA-N 1 1 197.322 1.900 10 30 ADEEMO C=C(C)[C@H](CO)[N@@H+]1C[C@H](C)[C@H](C)[C@@H]1C 642722194 347604312 /nfs/dbraw/zinc/60/43/12/347604312.db2.gz KPMBLUOIORCTJR-BJDJZHNGSA-N 1 1 197.322 1.900 10 30 ADEEMO C=C(C)[C@H](CO)[N@@H+]1C[C@H](C)[C@H](C)[C@H]1C 642722197 347604345 /nfs/dbraw/zinc/60/43/45/347604345.db2.gz KPMBLUOIORCTJR-YFKTTZPYSA-N 1 1 197.322 1.900 10 30 ADEEMO C[C@@H]1C[C@H]2C/C(=N\O)C[C@@H]1[N@H+](C)C2 4336171 351328343 /nfs/dbraw/zinc/32/83/43/351328343.db2.gz YABVPMUHBWEQOY-OZXICOPOSA-N 1 1 182.267 1.567 10 30 ADEEMO ON=C1[C@H]2CCC[C@@H]1C[N@H+](C1CC1)C2 4935146 351335901 /nfs/dbraw/zinc/33/59/01/351335901.db2.gz ZQHLPNGIWJFCAT-DTORHVGOSA-N 1 1 194.278 1.711 10 30 ADEEMO C[N@H+](c1ccncc1)n1cccc1C#N 13746026 351371944 /nfs/dbraw/zinc/37/19/44/351371944.db2.gz LIBHYNULGGRITD-UHFFFAOYSA-N 1 1 198.229 1.654 10 30 ADEEMO CN(c1cc[nH+]cc1)n1cccc1C#N 13746026 351371949 /nfs/dbraw/zinc/37/19/49/351371949.db2.gz LIBHYNULGGRITD-UHFFFAOYSA-N 1 1 198.229 1.654 10 30 ADEEMO C[C@@H]1C[NH+](CCCC#N)C[C@@H](C)O1 19438279 351390761 /nfs/dbraw/zinc/39/07/61/351390761.db2.gz FUTHDZJVNBCZCD-NXEZZACHSA-N 1 1 182.267 1.399 10 30 ADEEMO c1cc2c(s1)CC[N@H+](C[C@@H]1CO1)C2 22212044 351413118 /nfs/dbraw/zinc/41/31/18/351413118.db2.gz HPCIXIHFFDAKHA-SECBINFHSA-N 1 1 195.287 1.505 10 30 ADEEMO C[C@@H]1CCCC[C@@]1([NH3+])C#N 22171583 351413431 /nfs/dbraw/zinc/41/34/31/351413431.db2.gz XLANTDJWMAKCLI-HTQZYQBOSA-N 1 1 138.214 1.418 10 30 ADEEMO C[C@@H]1CCC[N@@H+](C[C@@H]2CO2)C1 22176031 351413635 /nfs/dbraw/zinc/41/36/35/351413635.db2.gz NKWOTMSEBBVNDJ-RKDXNWHRSA-N 1 1 155.241 1.117 10 30 ADEEMO c1cc2c(s1)CC[N@H+](C[C@H]1CO1)C2 22212047 351413981 /nfs/dbraw/zinc/41/39/81/351413981.db2.gz HPCIXIHFFDAKHA-VIFPVBQESA-N 1 1 195.287 1.505 10 30 ADEEMO C[C@@H]1CCC[N@@H+](CCS)C1 26509714 351419565 /nfs/dbraw/zinc/41/95/65/351419565.db2.gz AUSGLVZSDFRMIF-MRVPVSSYSA-N 1 1 159.298 1.648 10 30 ADEEMO C[C@@H]1COCC[N@@H+]1CCCC#N 35775986 351454328 /nfs/dbraw/zinc/45/43/28/351454328.db2.gz HIXZRCCYHJTURX-SECBINFHSA-N 1 1 168.240 1.011 10 30 ADEEMO C[C@@H]1COCC[N@H+]1CCCC#N 35775986 351454333 /nfs/dbraw/zinc/45/43/33/351454333.db2.gz HIXZRCCYHJTURX-SECBINFHSA-N 1 1 168.240 1.011 10 30 ADEEMO CC[C@@H](C)[N@@H+](C)C[C@@H]1CO1 37110098 351463379 /nfs/dbraw/zinc/46/33/79/351463379.db2.gz QBOPNWDEAGGXPE-HTQZYQBOSA-N 1 1 143.230 1.116 10 30 ADEEMO CC[C@@H](C)[C@](C)([NH3+])C#N 37745329 351473136 /nfs/dbraw/zinc/47/31/36/351473136.db2.gz HDMMVHVECMXXEZ-RNFRBKRXSA-N 1 1 126.203 1.273 10 30 ADEEMO CC[C@@H](C)[C@@](C)([NH3+])C#N 37745331 351473181 /nfs/dbraw/zinc/47/31/81/351473181.db2.gz HDMMVHVECMXXEZ-RQJHMYQMSA-N 1 1 126.203 1.273 10 30 ADEEMO C[C@@H]1CC[C@H](C#N)[C@H]([N@@H+](C)CCO)C1 37899294 351475716 /nfs/dbraw/zinc/47/57/16/351475716.db2.gz UJHWPFHSUKKLKT-GMTAPVOTSA-N 1 1 196.294 1.239 10 30 ADEEMO C[C@@H]1CC[C@@H](C#N)[C@H]([N@@H+](C)CCO)C1 37899296 351475752 /nfs/dbraw/zinc/47/57/52/351475752.db2.gz UJHWPFHSUKKLKT-OUAUKWLOSA-N 1 1 196.294 1.239 10 30 ADEEMO C[C@@H]1CCC[N@H+]1CCC#N 37910719 351475928 /nfs/dbraw/zinc/47/59/28/351475928.db2.gz VKOJISIVTJFQGD-MRVPVSSYSA-N 1 1 138.214 1.384 10 30 ADEEMO C[C@@H]1CC[N@@H+](CCCC#N)C1 40718156 351510125 /nfs/dbraw/zinc/51/01/25/351510125.db2.gz DXXWXWZUBZGIDW-SECBINFHSA-N 1 1 152.241 1.632 10 30 ADEEMO C[C@@H]1CCC[C@@H]([N@@H+](C)C[C@@H]2CO2)C1 42492930 351522036 /nfs/dbraw/zinc/52/20/36/351522036.db2.gz UCINZEOSQLMRJS-GMTAPVOTSA-N 1 1 183.295 1.896 10 30 ADEEMO N#CCC[N@@H+]1CCCSCC1 42443874 351522426 /nfs/dbraw/zinc/52/24/26/351522426.db2.gz XHMUVMTXKHBSCJ-UHFFFAOYSA-N 1 1 170.281 1.339 10 30 ADEEMO N#CCC[N@H+]1CCCSCC1 42443874 351522432 /nfs/dbraw/zinc/52/24/32/351522432.db2.gz XHMUVMTXKHBSCJ-UHFFFAOYSA-N 1 1 170.281 1.339 10 30 ADEEMO C[C@@H]1CCC[C@H]([N@@H+](C)C[C@@H]2CO2)C1 42492928 351522611 /nfs/dbraw/zinc/52/26/11/351522611.db2.gz UCINZEOSQLMRJS-OUAUKWLOSA-N 1 1 183.295 1.896 10 30 ADEEMO N#CCCC[N@H+]1CCCSCC1 42443866 351522813 /nfs/dbraw/zinc/52/28/13/351522813.db2.gz NHEWBHQOCKJQIT-UHFFFAOYSA-N 1 1 184.308 1.729 10 30 ADEEMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)C[C@@H]1CO1 42607352 351523918 /nfs/dbraw/zinc/52/39/18/351523918.db2.gz USMQLHDLGATZSQ-MXWKQRLJSA-N 1 1 183.295 1.896 10 30 ADEEMO C[C@@H]1CCCC[C@H]1[N@@H+](C)C[C@@H]1CO1 42607354 351524451 /nfs/dbraw/zinc/52/44/51/351524451.db2.gz USMQLHDLGATZSQ-GMTAPVOTSA-N 1 1 183.295 1.896 10 30 ADEEMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)CC=O 43803554 351534424 /nfs/dbraw/zinc/53/44/24/351534424.db2.gz GOYJDYDNDOQEGE-ZJUUUORDSA-N 1 1 169.268 1.696 10 30 ADEEMO C[C@@H]1CCCC[N@H+]1CC=O 43803173 351534601 /nfs/dbraw/zinc/53/46/01/351534601.db2.gz KJSHQXPSXJAZNA-MRVPVSSYSA-N 1 1 141.214 1.060 10 30 ADEEMO C[C@@H]1CCCC[C@H]1[N@@H+](C)CC=O 43803559 351534667 /nfs/dbraw/zinc/53/46/67/351534667.db2.gz GOYJDYDNDOQEGE-NXEZZACHSA-N 1 1 169.268 1.696 10 30 ADEEMO C[C@@H]1C[N@@H+](CCCC#N)CC(C)(C)O1 44477771 351538941 /nfs/dbraw/zinc/53/89/41/351538941.db2.gz CPZMIIGASTUEDC-SNVBAGLBSA-N 1 1 196.294 1.789 10 30 ADEEMO CC(C)C[C@@H](CN(C)C)[NH2+]CCC#N 49555908 351546635 /nfs/dbraw/zinc/54/66/35/351546635.db2.gz APPKSZUGUYERFK-NSHDSACASA-N 1 1 197.326 1.466 10 30 ADEEMO CC(C)C[C@H](CN(C)C)[NH2+]CCC#N 49555909 351547423 /nfs/dbraw/zinc/54/74/23/351547423.db2.gz APPKSZUGUYERFK-LLVKDONJSA-N 1 1 197.326 1.466 10 30 ADEEMO CC[C@@H](C#N)Oc1ccc(C)[nH+]c1N 50441064 351554387 /nfs/dbraw/zinc/55/43/87/351554387.db2.gz OOZHYITULVARDK-QMMMGPOBSA-N 1 1 191.234 1.653 10 30 ADEEMO C[C@@H]1CCC[N@@H+](CC=O)[C@@H]1C 50565763 351555337 /nfs/dbraw/zinc/55/53/37/351555337.db2.gz ARWNAXXCMSOTKV-RKDXNWHRSA-N 1 1 155.241 1.306 10 30 ADEEMO C[C@@H]1CCC[N@H+]1C[C@]1(C=O)CCOC1 51174953 351556704 /nfs/dbraw/zinc/55/67/04/351556704.db2.gz IUIWRIQQMFKOMB-MNOVXSKESA-N 1 1 197.278 1.076 10 30 ADEEMO C[C@@]([NH3+])(C#N)C1CCCC1 54081656 351570820 /nfs/dbraw/zinc/57/08/20/351570820.db2.gz XEQQBMUFAPWZFJ-MRVPVSSYSA-N 1 1 138.214 1.418 10 30 ADEEMO C#CCCN1CC[C@@H]([NH2+]C)C[C@H]1C 69790737 351599478 /nfs/dbraw/zinc/59/94/78/351599478.db2.gz RHCGSKMUNKRCHO-GHMZBOCLSA-N 1 1 180.295 1.082 10 30 ADEEMO C#CCCNc1cc(C)[nH+]c(C)n1 69790910 351599637 /nfs/dbraw/zinc/59/96/37/351599637.db2.gz QSZGALIAEWTFML-UHFFFAOYSA-N 1 1 175.235 1.529 10 30 ADEEMO C#CCC[N@H+]1CCC(=O)C[C@H]1C 69790734 351599657 /nfs/dbraw/zinc/59/96/57/351599657.db2.gz URJPNLUSFOCWJU-SECBINFHSA-N 1 1 165.236 1.063 10 30 ADEEMO C#CCC[N@@H+]1CCC(=O)C[C@H]1C 69790734 351599659 /nfs/dbraw/zinc/59/96/59/351599659.db2.gz URJPNLUSFOCWJU-SECBINFHSA-N 1 1 165.236 1.063 10 30 ADEEMO C#CCCNc1[nH]c2ccccc2[nH+]1 69790780 351599687 /nfs/dbraw/zinc/59/96/87/351599687.db2.gz FPEDXNDGJXFYMJ-UHFFFAOYSA-N 1 1 185.230 1.998 10 30 ADEEMO C#CCCN1CC[C@H]([NH2+]C)C[C@@H]1C 69790742 351599811 /nfs/dbraw/zinc/59/98/11/351599811.db2.gz RHCGSKMUNKRCHO-QWRGUYRKSA-N 1 1 180.295 1.082 10 30 ADEEMO C#CCC[N@H+]1CCC(=O)C[C@@H]1C 69790736 351599834 /nfs/dbraw/zinc/59/98/34/351599834.db2.gz URJPNLUSFOCWJU-VIFPVBQESA-N 1 1 165.236 1.063 10 30 ADEEMO C#CCC[N@@H+]1CCC(=O)C[C@@H]1C 69790736 351599837 /nfs/dbraw/zinc/59/98/37/351599837.db2.gz URJPNLUSFOCWJU-VIFPVBQESA-N 1 1 165.236 1.063 10 30 ADEEMO C#CCCN1CC[C@@H]([NH2+]C)C[C@@H]1C 69790740 351599866 /nfs/dbraw/zinc/59/98/66/351599866.db2.gz RHCGSKMUNKRCHO-WDEREUQCSA-N 1 1 180.295 1.082 10 30 ADEEMO C#CCCNc1ccc(C)c[nH+]1 69790939 351599915 /nfs/dbraw/zinc/59/99/15/351599915.db2.gz UYBLIFNSIODDHQ-UHFFFAOYSA-N 1 1 160.220 1.825 10 30 ADEEMO C#CCCNc1[nH+]cccc1C 69790813 351599949 /nfs/dbraw/zinc/59/99/49/351599949.db2.gz QTIUAUCUPDQXIZ-UHFFFAOYSA-N 1 1 160.220 1.825 10 30 ADEEMO C#CCCN1CC[C@H]([NH2+]C)C[C@H]1C 69790741 351599988 /nfs/dbraw/zinc/59/99/88/351599988.db2.gz RHCGSKMUNKRCHO-MNOVXSKESA-N 1 1 180.295 1.082 10 30 ADEEMO CCOc1cccc([C@@H]([NH3+])CC#N)c1 71500708 351611592 /nfs/dbraw/zinc/61/15/92/351611592.db2.gz RGEBRQVFKZKAAJ-NSHDSACASA-N 1 1 190.246 1.999 10 30 ADEEMO CCOc1ccc([C@@H]([NH3+])CC#N)cc1 71500712 351611786 /nfs/dbraw/zinc/61/17/86/351611786.db2.gz WDGAGUKQFFQUMQ-NSHDSACASA-N 1 1 190.246 1.999 10 30 ADEEMO CC(C)C[C@@H](C#N)N1CC[NH+](C)CC1 71507226 351611966 /nfs/dbraw/zinc/61/19/66/351611966.db2.gz POHKJQVVCFMAJT-NSHDSACASA-N 1 1 195.310 1.172 10 30 ADEEMO CC(C)C[C@H](C#N)N1CC[NH+](C)CC1 71507227 351612036 /nfs/dbraw/zinc/61/20/36/351612036.db2.gz POHKJQVVCFMAJT-LLVKDONJSA-N 1 1 195.310 1.172 10 30 ADEEMO CCOc1ccc([C@H]([NH3+])CC#N)cc1 71500710 351612055 /nfs/dbraw/zinc/61/20/55/351612055.db2.gz WDGAGUKQFFQUMQ-LLVKDONJSA-N 1 1 190.246 1.999 10 30 ADEEMO CCOc1cccc([C@H]([NH3+])CC#N)c1 71500707 351612130 /nfs/dbraw/zinc/61/21/30/351612130.db2.gz RGEBRQVFKZKAAJ-LLVKDONJSA-N 1 1 190.246 1.999 10 30 ADEEMO CC#CCn1cc[nH+]c1CC 82615390 351640243 /nfs/dbraw/zinc/64/02/43/351640243.db2.gz FQWUMTINBZJIIH-UHFFFAOYSA-N 1 1 148.209 1.469 10 30 ADEEMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1CC#N 82725328 351641113 /nfs/dbraw/zinc/64/11/13/351641113.db2.gz MNXZPSDFLUPIFW-GHMZBOCLSA-N 1 1 193.294 1.069 10 30 ADEEMO C=CCN1C[C@H]2CCC[N@@H+]2C[C@H]1C 82699260 351641129 /nfs/dbraw/zinc/64/11/29/351641129.db2.gz BDEUGLWISNFBGD-GHMZBOCLSA-N 1 1 180.295 1.341 10 30 ADEEMO C=CCN1C[C@H]2CCCC[N@@H+]2C[C@H]1C 82725332 351641149 /nfs/dbraw/zinc/64/11/49/351641149.db2.gz XKRXNJDRJNWVMG-VXGBXAGGSA-N 1 1 194.322 1.731 10 30 ADEEMO C=CC[N@H+]1C[C@H]2CCCCN2C[C@H]1C 82725332 351641150 /nfs/dbraw/zinc/64/11/50/351641150.db2.gz XKRXNJDRJNWVMG-VXGBXAGGSA-N 1 1 194.322 1.731 10 30 ADEEMO C=CC[N@@H+]1C[C@H]2CCCCN2C[C@H]1C 82725332 351641152 /nfs/dbraw/zinc/64/11/52/351641152.db2.gz XKRXNJDRJNWVMG-VXGBXAGGSA-N 1 1 194.322 1.731 10 30 ADEEMO C=CCN1C[C@H]2CCCC[N@@H+]2C[C@@H]1C 82725333 351641282 /nfs/dbraw/zinc/64/12/82/351641282.db2.gz XKRXNJDRJNWVMG-NWDGAFQWSA-N 1 1 194.322 1.731 10 30 ADEEMO C=CC[N@H+]1C[C@H]2CCCCN2C[C@@H]1C 82725333 351641284 /nfs/dbraw/zinc/64/12/84/351641284.db2.gz XKRXNJDRJNWVMG-NWDGAFQWSA-N 1 1 194.322 1.731 10 30 ADEEMO C=CC[N@@H+]1C[C@H]2CCCCN2C[C@@H]1C 82725333 351641285 /nfs/dbraw/zinc/64/12/85/351641285.db2.gz XKRXNJDRJNWVMG-NWDGAFQWSA-N 1 1 194.322 1.731 10 30 ADEEMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1CC#N 82725329 351641391 /nfs/dbraw/zinc/64/13/91/351641391.db2.gz MNXZPSDFLUPIFW-WDEREUQCSA-N 1 1 193.294 1.069 10 30 ADEEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1CCC#N 82699252 351641423 /nfs/dbraw/zinc/64/14/23/351641423.db2.gz RHSIIMBVMBYOGP-WDEREUQCSA-N 1 1 193.294 1.069 10 30 ADEEMO C=CCN1C[C@H]2CCC[N@@H+]2C[C@@H]1C 82699261 351641443 /nfs/dbraw/zinc/64/14/43/351641443.db2.gz BDEUGLWISNFBGD-WDEREUQCSA-N 1 1 180.295 1.341 10 30 ADEEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CCC#N 82699251 351641658 /nfs/dbraw/zinc/64/16/58/351641658.db2.gz RHSIIMBVMBYOGP-GHMZBOCLSA-N 1 1 193.294 1.069 10 30 ADEEMO C=C(CC)C[N@H+]1CC[C@@H](O)C1 85070504 351652499 /nfs/dbraw/zinc/65/24/99/351652499.db2.gz CCPKPZSUJVGLEI-SECBINFHSA-N 1 1 155.241 1.019 10 30 ADEEMO C=C(CC)C[N@H+]1CC[C@H](O)C1 85070503 351652979 /nfs/dbraw/zinc/65/29/79/351652979.db2.gz CCPKPZSUJVGLEI-VIFPVBQESA-N 1 1 155.241 1.019 10 30 ADEEMO C=C(CC)C[N@H+]1CCC[C@H](O)C1 85064783 351653010 /nfs/dbraw/zinc/65/30/10/351653010.db2.gz HZRANXCIOQKSLQ-JTQLQIEISA-N 1 1 169.268 1.409 10 30 ADEEMO C=C(CC)C[N@H+]1CCC[C@@H](O)C1 85064788 351653123 /nfs/dbraw/zinc/65/31/23/351653123.db2.gz HZRANXCIOQKSLQ-SNVBAGLBSA-N 1 1 169.268 1.409 10 30 ADEEMO N#CCCN1CC[N@H+]2CCCC[C@H]2C1 86657874 351655741 /nfs/dbraw/zinc/65/57/41/351655741.db2.gz WLBNSWZOBLXUKM-NSHDSACASA-N 1 1 193.294 1.070 10 30 ADEEMO CC(C)(C)C1C[NH+](CCC#N)C1 86681333 351656176 /nfs/dbraw/zinc/65/61/76/351656176.db2.gz DBBAMISQVVSGTR-UHFFFAOYSA-N 1 1 166.268 1.878 10 30 ADEEMO C=CCN1C[C@H]2CCC[N@@H+]2C[C@H]1CC 86930837 351658420 /nfs/dbraw/zinc/65/84/20/351658420.db2.gz CEINUVICOVJODE-VXGBXAGGSA-N 1 1 194.322 1.731 10 30 ADEEMO C=CCN1C[C@H]2CCC[N@@H+]2C[C@@H]1CC 86930838 351658675 /nfs/dbraw/zinc/65/86/75/351658675.db2.gz CEINUVICOVJODE-NWDGAFQWSA-N 1 1 194.322 1.731 10 30 ADEEMO C=CC[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 88023426 351660810 /nfs/dbraw/zinc/66/08/10/351660810.db2.gz NLXNZVBRXUTFKZ-VXGBXAGGSA-N 1 1 195.306 1.799 10 30 ADEEMO C=CC[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 88023427 351661122 /nfs/dbraw/zinc/66/11/22/351661122.db2.gz NLXNZVBRXUTFKZ-NEPJUHHUSA-N 1 1 195.306 1.799 10 30 ADEEMO CC(C)[C@H]1CC[N@@H+](CCC#N)C1 108286261 351720910 /nfs/dbraw/zinc/72/09/10/351720910.db2.gz HNUAFTDBKHYGSH-JTQLQIEISA-N 1 1 166.268 1.878 10 30 ADEEMO CC(C)[C@@H]1CC[N@@H+](CCC#N)C1 108286259 351721085 /nfs/dbraw/zinc/72/10/85/351721085.db2.gz HNUAFTDBKHYGSH-SNVBAGLBSA-N 1 1 166.268 1.878 10 30 ADEEMO C=CCCN1C[C@H]2CCC[N@@H+]2C[C@@H]1C 125397507 351730125 /nfs/dbraw/zinc/73/01/25/351730125.db2.gz GRRMIPIJJAGWSU-NWDGAFQWSA-N 1 1 194.322 1.731 10 30 ADEEMO C=CCCN1CC[N@H+]2CCC[C@@H]2C1 125396920 351730143 /nfs/dbraw/zinc/73/01/43/351730143.db2.gz QSOYSBKVFGAQOA-LLVKDONJSA-N 1 1 180.295 1.343 10 30 ADEEMO C=CCCN1C[C@H]2CCC[N@@H+]2C[C@H]1C 125397247 351730230 /nfs/dbraw/zinc/73/02/30/351730230.db2.gz GRRMIPIJJAGWSU-VXGBXAGGSA-N 1 1 194.322 1.731 10 30 ADEEMO C[C@H](C#N)C[N@@H+](C)C1CCC1 127431167 351732750 /nfs/dbraw/zinc/73/27/50/351732750.db2.gz WMILYFYTDGJYAM-MRVPVSSYSA-N 1 1 152.241 1.630 10 30 ADEEMO C[C@@H](C#N)C[N@@H+](C)C1CCC1 127431389 351733161 /nfs/dbraw/zinc/73/31/61/351733161.db2.gz WMILYFYTDGJYAM-QMMMGPOBSA-N 1 1 152.241 1.630 10 30 ADEEMO C=CCC[N@H+]1CCN2CCCC[C@@H]2C1 129164913 351734099 /nfs/dbraw/zinc/73/40/99/351734099.db2.gz OYYIKMYRTKGGOL-GFCCVEGCSA-N 1 1 194.322 1.733 10 30 ADEEMO C=CCCN1CC[N@@H+]2CCCC[C@@H]2C1 129164913 351734101 /nfs/dbraw/zinc/73/41/01/351734101.db2.gz OYYIKMYRTKGGOL-GFCCVEGCSA-N 1 1 194.322 1.733 10 30 ADEEMO C=CCCN1CC[N@H+]2CCCC[C@@H]2C1 129164913 351734102 /nfs/dbraw/zinc/73/41/02/351734102.db2.gz OYYIKMYRTKGGOL-GFCCVEGCSA-N 1 1 194.322 1.733 10 30 ADEEMO C[C@@H]1C[C@@H]2C/C(=N\O)C[C@H]1[N@H+](C)C2 135849721 351740534 /nfs/dbraw/zinc/74/05/34/351740534.db2.gz YABVPMUHBWEQOY-VHJVVSKJSA-N 1 1 182.267 1.567 10 30 ADEEMO CC#CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 158006481 351752056 /nfs/dbraw/zinc/75/20/56/351752056.db2.gz XQBOIZDARAUUSS-VXGBXAGGSA-N 1 1 192.306 1.226 10 30 ADEEMO CC#CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 158006641 351752088 /nfs/dbraw/zinc/75/20/88/351752088.db2.gz XQBOIZDARAUUSS-NWDGAFQWSA-N 1 1 192.306 1.226 10 30 ADEEMO C[N@H+](CCC#N)[C@H]1C=CCCC1 162098727 351760518 /nfs/dbraw/zinc/76/05/18/351760518.db2.gz HRKNVKJSONAVHL-JTQLQIEISA-N 1 1 164.252 1.941 10 30 ADEEMO C[N@@H+](CCC#N)[C@H]1C=CCCC1 162098727 351760522 /nfs/dbraw/zinc/76/05/22/351760522.db2.gz HRKNVKJSONAVHL-JTQLQIEISA-N 1 1 164.252 1.941 10 30 ADEEMO C[N@H+](CCC#N)[C@@H]1C=CCCC1 162098843 351760654 /nfs/dbraw/zinc/76/06/54/351760654.db2.gz HRKNVKJSONAVHL-SNVBAGLBSA-N 1 1 164.252 1.941 10 30 ADEEMO C[N@@H+](CCC#N)[C@@H]1C=CCCC1 162098843 351760658 /nfs/dbraw/zinc/76/06/58/351760658.db2.gz HRKNVKJSONAVHL-SNVBAGLBSA-N 1 1 164.252 1.941 10 30 ADEEMO C=CCC[N@H+]1CC[C@H](O)[C@@H](C)C1 164635031 351765851 /nfs/dbraw/zinc/76/58/51/351765851.db2.gz CPGPFQHEDUSGIY-UWVGGRQHSA-N 1 1 169.268 1.265 10 30 ADEEMO C=C(C)CC[N@H+]1CC[C@H](O)C1 168028529 351769012 /nfs/dbraw/zinc/76/90/12/351769012.db2.gz HCTJHKWUHXREBL-VIFPVBQESA-N 1 1 155.241 1.019 10 30 ADEEMO C=C(C)CC[N@H+]1CC[C@@H](O)C1 168028881 351769155 /nfs/dbraw/zinc/76/91/55/351769155.db2.gz HCTJHKWUHXREBL-SECBINFHSA-N 1 1 155.241 1.019 10 30 ADEEMO C=CCC[N@H+]1CCC(=O)[C@H](C)C1 168829250 351769481 /nfs/dbraw/zinc/76/94/81/351769481.db2.gz FNNQWYDFMFJPOH-SECBINFHSA-N 1 1 167.252 1.473 10 30 ADEEMO C=CCC[N@H+]1CCC(=O)[C@@H](C)C1 168829335 351769633 /nfs/dbraw/zinc/76/96/33/351769633.db2.gz FNNQWYDFMFJPOH-VIFPVBQESA-N 1 1 167.252 1.473 10 30 ADEEMO C=CC[N@H+](COC)C[Si](C)(C)C 197180856 351778228 /nfs/dbraw/zinc/77/82/28/351778228.db2.gz HPKWKODTJGRZSD-UHFFFAOYSA-N 1 1 187.359 1.956 10 30 ADEEMO CO[C@@H]1C[N@H+](CCC#N)CC[C@@H]1C 221124264 351792794 /nfs/dbraw/zinc/79/27/94/351792794.db2.gz UNGRNICDNUDHMJ-VHSXEESVSA-N 1 1 182.267 1.257 10 30 ADEEMO CO[C@@H]1C[N@@H+](CCC#N)CC[C@@H]1C 221124264 351792798 /nfs/dbraw/zinc/79/27/98/351792798.db2.gz UNGRNICDNUDHMJ-VHSXEESVSA-N 1 1 182.267 1.257 10 30 ADEEMO CO[C@H]1C[N@H+](CCC#N)CC[C@@H]1C 221124317 351792887 /nfs/dbraw/zinc/79/28/87/351792887.db2.gz UNGRNICDNUDHMJ-UWVGGRQHSA-N 1 1 182.267 1.257 10 30 ADEEMO CO[C@H]1C[N@@H+](CCC#N)CC[C@@H]1C 221124317 351792890 /nfs/dbraw/zinc/79/28/90/351792890.db2.gz UNGRNICDNUDHMJ-UWVGGRQHSA-N 1 1 182.267 1.257 10 30 ADEEMO C=CCC[N@@H+]1CC[C@H](C)[C@@H](O)C1 221474383 351793320 /nfs/dbraw/zinc/79/33/20/351793320.db2.gz GAJFROISNDMLOB-UWVGGRQHSA-N 1 1 169.268 1.265 10 30 ADEEMO C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](O)C1 221419694 351793443 /nfs/dbraw/zinc/79/34/43/351793443.db2.gz HYHMACMVMKHDBM-ZJUUUORDSA-N 1 1 169.268 1.265 10 30 ADEEMO C=CCC[N@@H+]1CC[C@@H](C)[C@@H](O)C1 221473595 351793451 /nfs/dbraw/zinc/79/34/51/351793451.db2.gz GAJFROISNDMLOB-ZJUUUORDSA-N 1 1 169.268 1.265 10 30 ADEEMO C=C(C)C[N@@H+]1CC[C@H](C)[C@@H](O)C1 221419748 351793491 /nfs/dbraw/zinc/79/34/91/351793491.db2.gz HYHMACMVMKHDBM-UWVGGRQHSA-N 1 1 169.268 1.265 10 30 ADEEMO C/[NH+]=C/c1ccc(OC)c(O)c1 225973058 351800719 /nfs/dbraw/zinc/80/07/19/351800719.db2.gz BPLKJPGJGIWFKV-UXBLZVDNSA-N 1 1 165.192 1.450 10 30 ADEEMO N#CCCN1CC[N@H+]2CCCC[C@@H]2C1 226201801 351801606 /nfs/dbraw/zinc/80/16/06/351801606.db2.gz WLBNSWZOBLXUKM-LLVKDONJSA-N 1 1 193.294 1.070 10 30 ADEEMO C=C(C)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C 226642017 351801994 /nfs/dbraw/zinc/80/19/94/351801994.db2.gz IZRXXGWHPPDGLD-RYUDHWBXSA-N 1 1 194.322 1.731 10 30 ADEEMO C=CCN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C 226642594 351802100 /nfs/dbraw/zinc/80/21/00/351802100.db2.gz BDEUGLWISNFBGD-QWRGUYRKSA-N 1 1 180.295 1.341 10 30 ADEEMO C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](CC=O)C1 229453836 351807778 /nfs/dbraw/zinc/80/77/78/351807778.db2.gz SDXXNIVMAJXREJ-OPRDCNLKSA-N 1 1 169.268 1.552 10 30 ADEEMO C[C@H]1C[C@@H](C)C[N@H+](CC=O)[C@@H]1C 229453857 351807789 /nfs/dbraw/zinc/80/77/89/351807789.db2.gz SDXXNIVMAJXREJ-KXUCPTDWSA-N 1 1 169.268 1.552 10 30 ADEEMO C=C(CC)C[N@@H+]1CCC(=O)[C@H](C)C1 229505587 351808364 /nfs/dbraw/zinc/80/83/64/351808364.db2.gz PADANIJCBGXRHA-SNVBAGLBSA-N 1 1 181.279 1.864 10 30 ADEEMO C=C(CC)C[N@H+]1CCC(=O)[C@H](C)C1 229505587 351808367 /nfs/dbraw/zinc/80/83/67/351808367.db2.gz PADANIJCBGXRHA-SNVBAGLBSA-N 1 1 181.279 1.864 10 30 ADEEMO C=C(C)C[N@@H+]1CCC(=O)[C@H](C)C1 229506240 351808409 /nfs/dbraw/zinc/80/84/09/351808409.db2.gz HYXHPLRMTPSTJE-SECBINFHSA-N 1 1 167.252 1.473 10 30 ADEEMO C=C(C)C[N@H+]1CCC(=O)[C@H](C)C1 229506240 351808412 /nfs/dbraw/zinc/80/84/12/351808412.db2.gz HYXHPLRMTPSTJE-SECBINFHSA-N 1 1 167.252 1.473 10 30 ADEEMO C=C(C)C[N@@H+]1CCC(=O)[C@@H](C)C1 229506249 351808607 /nfs/dbraw/zinc/80/86/07/351808607.db2.gz HYXHPLRMTPSTJE-VIFPVBQESA-N 1 1 167.252 1.473 10 30 ADEEMO C=C(C)C[N@H+]1CCC(=O)[C@@H](C)C1 229506249 351808608 /nfs/dbraw/zinc/80/86/08/351808608.db2.gz HYXHPLRMTPSTJE-VIFPVBQESA-N 1 1 167.252 1.473 10 30 ADEEMO C=C(CC)C[N@@H+]1CCC(=O)[C@@H](C)C1 229505571 351808645 /nfs/dbraw/zinc/80/86/45/351808645.db2.gz PADANIJCBGXRHA-JTQLQIEISA-N 1 1 181.279 1.864 10 30 ADEEMO C=C(CC)C[N@H+]1CCC(=O)[C@@H](C)C1 229505571 351808647 /nfs/dbraw/zinc/80/86/47/351808647.db2.gz PADANIJCBGXRHA-JTQLQIEISA-N 1 1 181.279 1.864 10 30 ADEEMO C=C(C)C[N@H+]1CC[C@@H](O)[C@@H](C)C1 229913619 351809352 /nfs/dbraw/zinc/80/93/52/351809352.db2.gz ASUKOVFTZUJANN-VHSXEESVSA-N 1 1 169.268 1.265 10 30 ADEEMO C=CCC[N@H+]1CC[C@@H](O)[C@@H](C)C1 229914118 351809776 /nfs/dbraw/zinc/80/97/76/351809776.db2.gz CPGPFQHEDUSGIY-VHSXEESVSA-N 1 1 169.268 1.265 10 30 ADEEMO C=CC[N@@H+]1CCC[C@@](C)(O)CC1 230377258 351810656 /nfs/dbraw/zinc/81/06/56/351810656.db2.gz CLWJILZQCHECOZ-SNVBAGLBSA-N 1 1 169.268 1.409 10 30 ADEEMO C=CC[N@@H+]1CCC[C@](C)(O)CC1 230377259 351811097 /nfs/dbraw/zinc/81/10/97/351811097.db2.gz CLWJILZQCHECOZ-JTQLQIEISA-N 1 1 169.268 1.409 10 30 ADEEMO CC#CCNc1[nH+]cccc1N 232456810 351814595 /nfs/dbraw/zinc/81/45/95/351814595.db2.gz MCHVSCAQLHXFJC-UHFFFAOYSA-N 1 1 161.208 1.099 10 30 ADEEMO CC#CCNc1ccc(N)c[nH+]1 232455550 351814896 /nfs/dbraw/zinc/81/48/96/351814896.db2.gz KFBVHCOTKMTMEN-UHFFFAOYSA-N 1 1 161.208 1.099 10 30 ADEEMO N#Cc1ccccc1[C@@H]([NH3+])CF 238575209 351822747 /nfs/dbraw/zinc/82/27/47/351822747.db2.gz NMFQERRYFZCKIB-VIFPVBQESA-N 1 1 164.183 1.528 10 30 ADEEMO N#Cc1ccccc1[C@H]([NH3+])CF 238685592 351823793 /nfs/dbraw/zinc/82/37/93/351823793.db2.gz NMFQERRYFZCKIB-SECBINFHSA-N 1 1 164.183 1.528 10 30 ADEEMO C[C@@H]1CCC[N@@H+](C[C@H]2CO2)C1 242574935 351828227 /nfs/dbraw/zinc/82/82/27/351828227.db2.gz NKWOTMSEBBVNDJ-BDAKNGLRSA-N 1 1 155.241 1.117 10 30 ADEEMO C=CCN1C[C@@H]2CCC[N@@H+]2C[C@H]1CC 251578064 351835597 /nfs/dbraw/zinc/83/55/97/351835597.db2.gz CEINUVICOVJODE-NEPJUHHUSA-N 1 1 194.322 1.731 10 30 ADEEMO ON=C1CC[N@@H+](Cc2ccccc2)C1 252470014 351838503 /nfs/dbraw/zinc/83/85/03/351838503.db2.gz LFNQMUOLIMKYBH-UHFFFAOYSA-N 1 1 190.246 1.723 10 30 ADEEMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1CC#N 252661581 351841146 /nfs/dbraw/zinc/84/11/46/351841146.db2.gz MNXZPSDFLUPIFW-MNOVXSKESA-N 1 1 193.294 1.069 10 30 ADEEMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1CC#N 252661582 351841169 /nfs/dbraw/zinc/84/11/69/351841169.db2.gz MNXZPSDFLUPIFW-QWRGUYRKSA-N 1 1 193.294 1.069 10 30 ADEEMO C=CCN1C[C@@H]2CCCC[N@@H+]2C[C@H]1C 252662322 351841223 /nfs/dbraw/zinc/84/12/23/351841223.db2.gz XKRXNJDRJNWVMG-NEPJUHHUSA-N 1 1 194.322 1.731 10 30 ADEEMO C=CC[N@H+]1C[C@@H]2CCCCN2C[C@H]1C 252662322 351841224 /nfs/dbraw/zinc/84/12/24/351841224.db2.gz XKRXNJDRJNWVMG-NEPJUHHUSA-N 1 1 194.322 1.731 10 30 ADEEMO C=CC[N@@H+]1C[C@@H]2CCCCN2C[C@H]1C 252662322 351841227 /nfs/dbraw/zinc/84/12/27/351841227.db2.gz XKRXNJDRJNWVMG-NEPJUHHUSA-N 1 1 194.322 1.731 10 30 ADEEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1CCC#N 252674476 351841821 /nfs/dbraw/zinc/84/18/21/351841821.db2.gz RHSIIMBVMBYOGP-MNOVXSKESA-N 1 1 193.294 1.069 10 30 ADEEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1CCC#N 252674477 351841933 /nfs/dbraw/zinc/84/19/33/351841933.db2.gz RHSIIMBVMBYOGP-QWRGUYRKSA-N 1 1 193.294 1.069 10 30 ADEEMO C=CCN1C[C@@H]2CCC[N@@H+]2C[C@H]1C 252672528 351842077 /nfs/dbraw/zinc/84/20/77/351842077.db2.gz BDEUGLWISNFBGD-MNOVXSKESA-N 1 1 180.295 1.341 10 30 ADEEMO C=CCCN1C[C@@H]2CCC[N@@H+]2C[C@H]1C 252890098 351843429 /nfs/dbraw/zinc/84/34/29/351843429.db2.gz GRRMIPIJJAGWSU-NEPJUHHUSA-N 1 1 194.322 1.731 10 30 ADEEMO CC#CCCN1CC[N@H+]2CCC[C@H]2C1 252834895 351843469 /nfs/dbraw/zinc/84/34/69/351843469.db2.gz SKRAZNCLWGHTCY-LBPRGKRZSA-N 1 1 192.306 1.180 10 30 ADEEMO CC#CCN1C[C@H]2CCC[N@H+]2C[C@H]1C 252889504 351843488 /nfs/dbraw/zinc/84/34/88/351843488.db2.gz DQCKOOMCTHXLGF-VXGBXAGGSA-N 1 1 192.306 1.178 10 30 ADEEMO CC#CCN1C[C@@H]2CCC[N@H+]2C[C@H]1C 252889502 351843534 /nfs/dbraw/zinc/84/35/34/351843534.db2.gz DQCKOOMCTHXLGF-NEPJUHHUSA-N 1 1 192.306 1.178 10 30 ADEEMO C=CCCN1CC[N@H+]2CCC[C@H]2C1 252893441 351843794 /nfs/dbraw/zinc/84/37/94/351843794.db2.gz QSOYSBKVFGAQOA-NSHDSACASA-N 1 1 180.295 1.343 10 30 ADEEMO C=C(C)CN1CC[N@H+]2CCC[C@H]2C1 252890855 351843847 /nfs/dbraw/zinc/84/38/47/351843847.db2.gz IOXYPYJKOQAUQZ-NSHDSACASA-N 1 1 180.295 1.343 10 30 ADEEMO C=C(C)CN1C[C@@H]2CCC[N@@H+]2C[C@H]1C 252955866 351844011 /nfs/dbraw/zinc/84/40/11/351844011.db2.gz IZRXXGWHPPDGLD-NEPJUHHUSA-N 1 1 194.322 1.731 10 30 ADEEMO C=CCC[N@H+]1CCN2CCCC[C@H]2C1 253193687 351844881 /nfs/dbraw/zinc/84/48/81/351844881.db2.gz OYYIKMYRTKGGOL-LBPRGKRZSA-N 1 1 194.322 1.733 10 30 ADEEMO C=CCCN1CC[N@@H+]2CCCC[C@H]2C1 253193687 351844885 /nfs/dbraw/zinc/84/48/85/351844885.db2.gz OYYIKMYRTKGGOL-LBPRGKRZSA-N 1 1 194.322 1.733 10 30 ADEEMO C=CCCN1CC[N@H+]2CCCC[C@H]2C1 253193687 351844887 /nfs/dbraw/zinc/84/48/87/351844887.db2.gz OYYIKMYRTKGGOL-LBPRGKRZSA-N 1 1 194.322 1.733 10 30 ADEEMO C=C(C)C[N@H+]1CC[C@@H](O)[C@H](C)C1 253200216 351845296 /nfs/dbraw/zinc/84/52/96/351845296.db2.gz ASUKOVFTZUJANN-NXEZZACHSA-N 1 1 169.268 1.265 10 30 ADEEMO C=CCC[N@H+]1CC[C@@H](O)[C@H](C)C1 253215665 351845375 /nfs/dbraw/zinc/84/53/75/351845375.db2.gz CPGPFQHEDUSGIY-NXEZZACHSA-N 1 1 169.268 1.265 10 30 ADEEMO C[N@H+]1CC[C@H](c2ccccc2C#N)C1 258021714 351857333 /nfs/dbraw/zinc/85/73/33/351857333.db2.gz IHTAYJOWZFTKRO-NSHDSACASA-N 1 1 186.258 1.977 10 30 ADEEMO C[N@H+]1CC[C@@H](c2ccccc2C#N)C1 258021711 351857339 /nfs/dbraw/zinc/85/73/39/351857339.db2.gz IHTAYJOWZFTKRO-LLVKDONJSA-N 1 1 186.258 1.977 10 30 ADEEMO Cc1[nH+]cc(CS)n1C 258013220 351857506 /nfs/dbraw/zinc/85/75/06/351857506.db2.gz CRTNOKAPDLHUPL-UHFFFAOYSA-N 1 1 142.227 1.158 10 30 ADEEMO C[N@H+]1CC[C@H](c2ccc(C#N)cc2)C1 258118558 351859637 /nfs/dbraw/zinc/85/96/37/351859637.db2.gz QHDQQPSEZTUFJD-LBPRGKRZSA-N 1 1 186.258 1.977 10 30 ADEEMO C[N@H+]1CC[C@@H](c2ccc(C#N)cc2)C1 258118555 351859687 /nfs/dbraw/zinc/85/96/87/351859687.db2.gz QHDQQPSEZTUFJD-GFCCVEGCSA-N 1 1 186.258 1.977 10 30 ADEEMO N#C[C@]1(C2CCC2)CCC[NH2+]1 258531400 351863817 /nfs/dbraw/zinc/86/38/17/351863817.db2.gz CUAOJXPZQDUNEI-VIFPVBQESA-N 1 1 150.225 1.432 10 30 ADEEMO N#C[C@@]1(C2CCC2)CCC[NH2+]1 258531398 351863828 /nfs/dbraw/zinc/86/38/28/351863828.db2.gz CUAOJXPZQDUNEI-SECBINFHSA-N 1 1 150.225 1.432 10 30 ADEEMO CC(C)[C@H](C#N)C[NH+](C)C 258548514 351864176 /nfs/dbraw/zinc/86/41/76/351864176.db2.gz AFJMRNQDVMGHFC-MRVPVSSYSA-N 1 1 140.230 1.344 10 30 ADEEMO CC(C)[C@@H](C#N)C[NH+](C)C 258548519 351864336 /nfs/dbraw/zinc/86/43/36/351864336.db2.gz AFJMRNQDVMGHFC-QMMMGPOBSA-N 1 1 140.230 1.344 10 30 ADEEMO N#CC1([NH3+])CCC(F)(F)CC1 258599834 351864834 /nfs/dbraw/zinc/86/48/34/351864834.db2.gz UWLRDDUSVVSQPH-UHFFFAOYSA-N 1 1 160.167 1.417 10 30 ADEEMO N#C[C@@]1(C2CCOCC2)CCC[NH2+]1 258769962 351866372 /nfs/dbraw/zinc/86/63/72/351866372.db2.gz QRVCAWLHPYCUOC-SNVBAGLBSA-N 1 1 180.251 1.059 10 30 ADEEMO CC(C)C[C@]1(C#N)CCC[NH2+]1 258759250 351866463 /nfs/dbraw/zinc/86/64/63/351866463.db2.gz QGRLGCGIBHUFPR-VIFPVBQESA-N 1 1 152.241 1.678 10 30 ADEEMO N#C[C@]1(C2CCOCC2)CCC[NH2+]1 258769958 351866481 /nfs/dbraw/zinc/86/64/81/351866481.db2.gz QRVCAWLHPYCUOC-JTQLQIEISA-N 1 1 180.251 1.059 10 30 ADEEMO CC(C)C[C@@]1(C#N)CCC[NH2+]1 258759249 351866538 /nfs/dbraw/zinc/86/65/38/351866538.db2.gz QGRLGCGIBHUFPR-SECBINFHSA-N 1 1 152.241 1.678 10 30 ADEEMO O=CC[N@H+]1CCCC(F)(F)CC1 258790862 351867142 /nfs/dbraw/zinc/86/71/42/351867142.db2.gz GQZJVFFTQHTSBY-UHFFFAOYSA-N 1 1 177.194 1.307 10 30 ADEEMO O=CC[N@@H+]1CCCC(F)(F)CC1 258790862 351867145 /nfs/dbraw/zinc/86/71/45/351867145.db2.gz GQZJVFFTQHTSBY-UHFFFAOYSA-N 1 1 177.194 1.307 10 30 ADEEMO N#CC1(CNc2cc[nH+]cc2)CC1 258824839 351867517 /nfs/dbraw/zinc/86/75/17/351867517.db2.gz CROIAJNUDWITDZ-UHFFFAOYSA-N 1 1 173.219 1.797 10 30 ADEEMO N#C[C@]1(C2CCCC2)CCC[NH2+]1 258870898 351868112 /nfs/dbraw/zinc/86/81/12/351868112.db2.gz XFQQVISCYQAOHJ-JTQLQIEISA-N 1 1 164.252 1.822 10 30 ADEEMO N#C[C@@]1(C2CCCC2)CCC[NH2+]1 258870904 351868128 /nfs/dbraw/zinc/86/81/28/351868128.db2.gz XFQQVISCYQAOHJ-SNVBAGLBSA-N 1 1 164.252 1.822 10 30 ADEEMO N#CCCNc1cc[nH+]cc1 258857735 351868191 /nfs/dbraw/zinc/86/81/91/351868191.db2.gz FGKMOKACYXZQRN-UHFFFAOYSA-N 1 1 147.181 1.407 10 30 ADEEMO C=CCN1CC[C@H]([NH3+])C(C)(C)C1 259134313 351870420 /nfs/dbraw/zinc/87/04/20/351870420.db2.gz DBRGJNXLJHAWEZ-VIFPVBQESA-N 1 1 168.284 1.232 10 30 ADEEMO C=CCN1CC[C@@H]([NH3+])C(C)(C)C1 259134310 351870624 /nfs/dbraw/zinc/87/06/24/351870624.db2.gz DBRGJNXLJHAWEZ-SECBINFHSA-N 1 1 168.284 1.232 10 30 ADEEMO C=CC[N@@H+]1CC[C@H](O)C1(C)C 259550530 351876128 /nfs/dbraw/zinc/87/61/28/351876128.db2.gz XGRGJYYUWIIVSH-QMMMGPOBSA-N 1 1 155.241 1.018 10 30 ADEEMO C=CC[N@@H+]1CC[C@@H](O)C1(C)C 259550528 351876351 /nfs/dbraw/zinc/87/63/51/351876351.db2.gz XGRGJYYUWIIVSH-MRVPVSSYSA-N 1 1 155.241 1.018 10 30 ADEEMO N#CC[C@@H]1CC[N@H+]([C@@H]2CCCOC2)C1 259692034 351877978 /nfs/dbraw/zinc/87/79/78/351877978.db2.gz KPPTXKLIUSJYRY-GHMZBOCLSA-N 1 1 194.278 1.401 10 30 ADEEMO N#CC[C@H]1CC[N@H+]([C@H]2CCCOC2)C1 259692040 351878027 /nfs/dbraw/zinc/87/80/27/351878027.db2.gz KPPTXKLIUSJYRY-QWRGUYRKSA-N 1 1 194.278 1.401 10 30 ADEEMO N#CC[C@@H]1CC[N@H+]([C@H]2CCCOC2)C1 259692037 351878038 /nfs/dbraw/zinc/87/80/38/351878038.db2.gz KPPTXKLIUSJYRY-MNOVXSKESA-N 1 1 194.278 1.401 10 30 ADEEMO N#CC[C@H]1CC[N@H+]([C@@H]2CCCOC2)C1 259692043 351878205 /nfs/dbraw/zinc/87/82/05/351878205.db2.gz KPPTXKLIUSJYRY-WDEREUQCSA-N 1 1 194.278 1.401 10 30 ADEEMO C[N@@H+](CCC#N)C1CCSCC1 259772383 351879594 /nfs/dbraw/zinc/87/95/94/351879594.db2.gz AIXFGOBQEKARIN-UHFFFAOYSA-N 1 1 184.308 1.727 10 30 ADEEMO C[C@@H]1CCCCC[C@@]1([NH3+])C#N 259932220 351881620 /nfs/dbraw/zinc/88/16/20/351881620.db2.gz BWMPGLVZQNLDFP-RKDXNWHRSA-N 1 1 152.241 1.808 10 30 ADEEMO C[C@H]1CCCCC[C@@]1([NH3+])C#N 259932211 351881876 /nfs/dbraw/zinc/88/18/76/351881876.db2.gz BWMPGLVZQNLDFP-DTWKUNHWSA-N 1 1 152.241 1.808 10 30 ADEEMO C[C@@H]1CCCCC[C@]1([NH3+])C#N 259932204 351881930 /nfs/dbraw/zinc/88/19/30/351881930.db2.gz BWMPGLVZQNLDFP-BDAKNGLRSA-N 1 1 152.241 1.808 10 30 ADEEMO C[C@H]1CCCCC[C@]1([NH3+])C#N 259932215 351882018 /nfs/dbraw/zinc/88/20/18/351882018.db2.gz BWMPGLVZQNLDFP-IUCAKERBSA-N 1 1 152.241 1.808 10 30 ADEEMO C[N@H+](CCC#N)[C@H]1CCCSC1 260026868 351882379 /nfs/dbraw/zinc/88/23/79/351882379.db2.gz OLEHQUURUOETKM-VIFPVBQESA-N 1 1 184.308 1.727 10 30 ADEEMO C[N@@H+](CCC#N)[C@H]1CCCSC1 260026868 351882380 /nfs/dbraw/zinc/88/23/80/351882380.db2.gz OLEHQUURUOETKM-VIFPVBQESA-N 1 1 184.308 1.727 10 30 ADEEMO N#C[C@@]1(CC2CCC2)CCC[NH2+]1 260078624 351882407 /nfs/dbraw/zinc/88/24/07/351882407.db2.gz NDFWBRNRXNKZTM-JTQLQIEISA-N 1 1 164.252 1.822 10 30 ADEEMO N#C[C@]1(CC2CCC2)CCC[NH2+]1 260078629 351882472 /nfs/dbraw/zinc/88/24/72/351882472.db2.gz NDFWBRNRXNKZTM-SNVBAGLBSA-N 1 1 164.252 1.822 10 30 ADEEMO C[N@H+](CCC#N)[C@@H]1CCCSC1 260026852 351882926 /nfs/dbraw/zinc/88/29/26/351882926.db2.gz OLEHQUURUOETKM-SECBINFHSA-N 1 1 184.308 1.727 10 30 ADEEMO C[N@@H+](CCC#N)[C@@H]1CCCSC1 260026852 351882927 /nfs/dbraw/zinc/88/29/27/351882927.db2.gz OLEHQUURUOETKM-SECBINFHSA-N 1 1 184.308 1.727 10 30 ADEEMO Cc1[nH+]ccn1CC1(C#N)CCC1 260148645 351883391 /nfs/dbraw/zinc/88/33/91/351883391.db2.gz RLFXXEAHEILYDD-UHFFFAOYSA-N 1 1 175.235 1.885 10 30 ADEEMO C[C@@H](C#N)C[N@@H+](C)[C@@H]1CCCSC1 260103573 351883495 /nfs/dbraw/zinc/88/34/95/351883495.db2.gz QXOPOYKVAJMGLS-VHSXEESVSA-N 1 1 198.335 1.973 10 30 ADEEMO C[C@@H](C#N)C[N@@H+](C)[C@H]1CCCSC1 260103569 351883507 /nfs/dbraw/zinc/88/35/07/351883507.db2.gz QXOPOYKVAJMGLS-UWVGGRQHSA-N 1 1 198.335 1.973 10 30 ADEEMO C[C@H](C#N)C[N@@H+](C)[C@H]1CCCSC1 260103578 351883565 /nfs/dbraw/zinc/88/35/65/351883565.db2.gz QXOPOYKVAJMGLS-ZJUUUORDSA-N 1 1 198.335 1.973 10 30 ADEEMO C[C@H](C#N)C[N@@H+](C)[C@@H]1CCCSC1 260103564 351883579 /nfs/dbraw/zinc/88/35/79/351883579.db2.gz QXOPOYKVAJMGLS-NXEZZACHSA-N 1 1 198.335 1.973 10 30 ADEEMO C[C@@H]1CCC[C@@H](C)C1([NH3+])C#N 260376056 351884913 /nfs/dbraw/zinc/88/49/13/351884913.db2.gz CNGUEFFHHHELFE-HTQZYQBOSA-N 1 1 152.241 1.664 10 30 ADEEMO C[C@H]1CCC[C@H](C)C1([NH3+])C#N 260376059 351884983 /nfs/dbraw/zinc/88/49/83/351884983.db2.gz CNGUEFFHHHELFE-YUMQZZPRSA-N 1 1 152.241 1.664 10 30 ADEEMO C[C@H]1CCC[C@@H](C)[C@]1([NH3+])C#N 260376050 351885028 /nfs/dbraw/zinc/88/50/28/351885028.db2.gz CNGUEFFHHHELFE-AYMMMOKOSA-N 1 1 152.241 1.664 10 30 ADEEMO N#C[C@@]1(CC2CC2)CCC[NH2+]1 260426764 351885424 /nfs/dbraw/zinc/88/54/24/351885424.db2.gz CUKMSNUHEFWUEI-VIFPVBQESA-N 1 1 150.225 1.432 10 30 ADEEMO CC[C@]([NH3+])(C#N)C1CCC1 260408953 351885452 /nfs/dbraw/zinc/88/54/52/351885452.db2.gz LGZQVPPQAIETJU-QMMMGPOBSA-N 1 1 138.214 1.418 10 30 ADEEMO CC[C@@]([NH3+])(C#N)C1CCC1 260408950 351885467 /nfs/dbraw/zinc/88/54/67/351885467.db2.gz LGZQVPPQAIETJU-MRVPVSSYSA-N 1 1 138.214 1.418 10 30 ADEEMO N#C[C@]1(CC2CC2)CCC[NH2+]1 260426763 351885514 /nfs/dbraw/zinc/88/55/14/351885514.db2.gz CUKMSNUHEFWUEI-SECBINFHSA-N 1 1 150.225 1.432 10 30 ADEEMO N#C[C@]1([NH3+])CCC[C@@H]2C[C@@H]21 260734500 351885763 /nfs/dbraw/zinc/88/57/63/351885763.db2.gz FDBDRTZRRHNPPD-GJMOJQLCSA-N 1 1 136.198 1.027 10 30 ADEEMO CCC[C@@]1(C#N)CCC[NH2+]1 260651223 351885771 /nfs/dbraw/zinc/88/57/71/351885771.db2.gz NDMIEXVWRUMQJJ-QMMMGPOBSA-N 1 1 138.214 1.432 10 30 ADEEMO N#C[C@]1([NH3+])CCC[C@H]2C[C@H]21 260734502 351885785 /nfs/dbraw/zinc/88/57/85/351885785.db2.gz FDBDRTZRRHNPPD-XLPZGREQSA-N 1 1 136.198 1.027 10 30 ADEEMO N#C[C@]1([C@@H]2CCCOC2)CCC[NH2+]1 260678509 351885792 /nfs/dbraw/zinc/88/57/92/351885792.db2.gz PNNAJLXEENVVBB-ZJUUUORDSA-N 1 1 180.251 1.059 10 30 ADEEMO N#C[C@]1([C@H]2CCCOC2)CCC[NH2+]1 260678506 351885899 /nfs/dbraw/zinc/88/58/99/351885899.db2.gz PNNAJLXEENVVBB-UWVGGRQHSA-N 1 1 180.251 1.059 10 30 ADEEMO N#C[C@@]1([C@H]2CCCOC2)CCC[NH2+]1 260678507 351885961 /nfs/dbraw/zinc/88/59/61/351885961.db2.gz PNNAJLXEENVVBB-VHSXEESVSA-N 1 1 180.251 1.059 10 30 ADEEMO N#C[C@@]1([C@@H]2CCCOC2)CCC[NH2+]1 260678504 351886305 /nfs/dbraw/zinc/88/63/05/351886305.db2.gz PNNAJLXEENVVBB-NXEZZACHSA-N 1 1 180.251 1.059 10 30 ADEEMO CCC[C@]1(C#N)CCC[NH2+]1 260651222 351886338 /nfs/dbraw/zinc/88/63/38/351886338.db2.gz NDMIEXVWRUMQJJ-MRVPVSSYSA-N 1 1 138.214 1.432 10 30 ADEEMO N#C[C@H]1CCC[C@@H]1[NH+]1CCC1 261017414 351888132 /nfs/dbraw/zinc/88/81/32/351888132.db2.gz ZQXWTEIVFALHPX-BDAKNGLRSA-N 1 1 150.225 1.384 10 30 ADEEMO N#C[C@@H]1CCC[C@H]1[NH+]1CCC1 261017415 351888215 /nfs/dbraw/zinc/88/82/15/351888215.db2.gz ZQXWTEIVFALHPX-DTWKUNHWSA-N 1 1 150.225 1.384 10 30 ADEEMO N#C[C@H]1CCC[C@H]1[NH+]1CCC1 261017417 351888441 /nfs/dbraw/zinc/88/84/41/351888441.db2.gz ZQXWTEIVFALHPX-RKDXNWHRSA-N 1 1 150.225 1.384 10 30 ADEEMO N#C[C@@H]1CCC[C@@H]1[NH+]1CCC1 261017416 351888529 /nfs/dbraw/zinc/88/85/29/351888529.db2.gz ZQXWTEIVFALHPX-IUCAKERBSA-N 1 1 150.225 1.384 10 30 ADEEMO N#Cc1ccc(C[NH+]2CCC2)s1 261263874 351890305 /nfs/dbraw/zinc/89/03/05/351890305.db2.gz GNISJVKGASMZBA-UHFFFAOYSA-N 1 1 178.260 1.825 10 30 ADEEMO N#Cc1cc(C[NH+]2CCC2)ccn1 261263450 351890382 /nfs/dbraw/zinc/89/03/82/351890382.db2.gz GJZLJRAOHBCTSM-UHFFFAOYSA-N 1 1 173.219 1.159 10 30 ADEEMO C=CCC[N@@H+]1CC[C@H](C)[C@H](O)C1 299891080 351893060 /nfs/dbraw/zinc/89/30/60/351893060.db2.gz GAJFROISNDMLOB-VHSXEESVSA-N 1 1 169.268 1.265 10 30 ADEEMO C=C(C)C[N@@H+]1CC[C@@H](C)[C@H](O)C1 299891145 351893421 /nfs/dbraw/zinc/89/34/21/351893421.db2.gz HYHMACMVMKHDBM-NXEZZACHSA-N 1 1 169.268 1.265 10 30 ADEEMO C=C(C)C[N@@H+]1CC[C@H](C)[C@H](O)C1 299891146 351893500 /nfs/dbraw/zinc/89/35/00/351893500.db2.gz HYHMACMVMKHDBM-VHSXEESVSA-N 1 1 169.268 1.265 10 30 ADEEMO C=CCC[N@@H+]1CC[C@@H](C)[C@H](O)C1 299891079 351893505 /nfs/dbraw/zinc/89/35/05/351893505.db2.gz GAJFROISNDMLOB-NXEZZACHSA-N 1 1 169.268 1.265 10 30 ADEEMO CO[C@@H]1C[N@H+](CCC#N)CC[C@H]1C 299894203 351894336 /nfs/dbraw/zinc/89/43/36/351894336.db2.gz UNGRNICDNUDHMJ-NXEZZACHSA-N 1 1 182.267 1.257 10 30 ADEEMO CO[C@@H]1C[N@@H+](CCC#N)CC[C@H]1C 299894203 351894337 /nfs/dbraw/zinc/89/43/37/351894337.db2.gz UNGRNICDNUDHMJ-NXEZZACHSA-N 1 1 182.267 1.257 10 30 ADEEMO C=CCC[N@@H+]1C[C@@H](O)C2(CC2)C1 306163909 351904000 /nfs/dbraw/zinc/90/40/00/351904000.db2.gz UQIGIEVPDNDSCU-SECBINFHSA-N 1 1 167.252 1.019 10 30 ADEEMO C=CCC[N@@H+]1C[C@H](O)C2(CC2)C1 306163911 351904089 /nfs/dbraw/zinc/90/40/89/351904089.db2.gz UQIGIEVPDNDSCU-VIFPVBQESA-N 1 1 167.252 1.019 10 30 ADEEMO N#CC1(C[N@H+]2CCCSCC2)CC1 306197485 351906648 /nfs/dbraw/zinc/90/66/48/351906648.db2.gz XFNCSCMLXZPZLS-UHFFFAOYSA-N 1 1 196.319 1.729 10 30 ADEEMO CC#CC[N@@H+]1CCO[C@@](C)(CC)C1 306219037 351908447 /nfs/dbraw/zinc/90/84/47/351908447.db2.gz FZHJJLLRIDSHEH-NSHDSACASA-N 1 1 181.279 1.511 10 30 ADEEMO CC#CC[N@H+]1CCO[C@@](C)(CC)C1 306219037 351908450 /nfs/dbraw/zinc/90/84/50/351908450.db2.gz FZHJJLLRIDSHEH-NSHDSACASA-N 1 1 181.279 1.511 10 30 ADEEMO CC#CC[N@@H+]1CCO[C@](C)(CC)C1 306219032 351908746 /nfs/dbraw/zinc/90/87/46/351908746.db2.gz FZHJJLLRIDSHEH-LLVKDONJSA-N 1 1 181.279 1.511 10 30 ADEEMO CC#CC[N@H+]1CCO[C@](C)(CC)C1 306219032 351908748 /nfs/dbraw/zinc/90/87/48/351908748.db2.gz FZHJJLLRIDSHEH-LLVKDONJSA-N 1 1 181.279 1.511 10 30 ADEEMO C=CC[N@H+]1CCCO[C@H](C)C1 306236716 351911335 /nfs/dbraw/zinc/91/13/35/351911335.db2.gz FFQBMCGITKJYAC-SECBINFHSA-N 1 1 155.241 1.283 10 30 ADEEMO C=CC[N@H+]1CCCO[C@@H](C)C1 306236718 351911494 /nfs/dbraw/zinc/91/14/94/351911494.db2.gz FFQBMCGITKJYAC-VIFPVBQESA-N 1 1 155.241 1.283 10 30 ADEEMO CC#CCC[N@H+]1CCO[C@H](C)C1 306247770 351912410 /nfs/dbraw/zinc/91/24/10/351912410.db2.gz GGLWVIVUYQEMBZ-SNVBAGLBSA-N 1 1 167.252 1.121 10 30 ADEEMO C=C(C)C[N@H+]1CC[C@@](C)(F)C1 306273915 351914379 /nfs/dbraw/zinc/91/43/79/351914379.db2.gz AHNRHSAKRMPSFN-SECBINFHSA-N 1 1 157.232 1.996 10 30 ADEEMO C=C(C)C[N@H+]1CC[C@](C)(F)C1 306273919 351914508 /nfs/dbraw/zinc/91/45/08/351914508.db2.gz AHNRHSAKRMPSFN-VIFPVBQESA-N 1 1 157.232 1.996 10 30 ADEEMO C=C(C)C[N@H+]1CC[C@H](O)C1(C)C 306297632 351917907 /nfs/dbraw/zinc/91/79/07/351917907.db2.gz XFZWTHWVGBQOGB-VIFPVBQESA-N 1 1 169.268 1.408 10 30 ADEEMO C=C(C)C[N@H+]1CC[C@@H](O)C1(C)C 306297631 351917934 /nfs/dbraw/zinc/91/79/34/351917934.db2.gz XFZWTHWVGBQOGB-SECBINFHSA-N 1 1 169.268 1.408 10 30 ADEEMO C=CC[N@H+]1CCCSCC1 306306574 351918496 /nfs/dbraw/zinc/91/84/96/351918496.db2.gz FMFZDZXBSGDDLN-UHFFFAOYSA-N 1 1 157.282 1.611 10 30 ADEEMO C=C(C)CC[N@H+]1CCO[C@@H](C)C1 306302556 351918669 /nfs/dbraw/zinc/91/86/69/351918669.db2.gz CAWPKTBSMVSTAR-JTQLQIEISA-N 1 1 169.268 1.673 10 30 ADEEMO C=CCN1C[C@H](C)[N@H+](C)C[C@H]1C 306320152 351920229 /nfs/dbraw/zinc/92/02/29/351920229.db2.gz BQAXEPORYQXSOZ-VHSXEESVSA-N 1 1 168.284 1.197 10 30 ADEEMO C=CC[N@H+]1C[C@H](C)N(C)C[C@H]1C 306320152 351920231 /nfs/dbraw/zinc/92/02/31/351920231.db2.gz BQAXEPORYQXSOZ-VHSXEESVSA-N 1 1 168.284 1.197 10 30 ADEEMO C=CC[N@@H+]1C[C@H](C)N(C)C[C@H]1C 306320152 351920235 /nfs/dbraw/zinc/92/02/35/351920235.db2.gz BQAXEPORYQXSOZ-VHSXEESVSA-N 1 1 168.284 1.197 10 30 ADEEMO C=C(C)C[N@@H+]1C[C@@H](O)C[C@H]1C 306334396 351921042 /nfs/dbraw/zinc/92/10/42/351921042.db2.gz FVMTVZGCHBIGLT-BDAKNGLRSA-N 1 1 155.241 1.018 10 30 ADEEMO C=C(C)C[N@@H+]1C[C@H](O)C[C@H]1C 306334401 351921067 /nfs/dbraw/zinc/92/10/67/351921067.db2.gz FVMTVZGCHBIGLT-RKDXNWHRSA-N 1 1 155.241 1.018 10 30 ADEEMO C=C(C)C[N@@H+]1C[C@H](O)C[C@@H]1C 306334397 351921074 /nfs/dbraw/zinc/92/10/74/351921074.db2.gz FVMTVZGCHBIGLT-DTWKUNHWSA-N 1 1 155.241 1.018 10 30 ADEEMO C=C(C)C[N@@H+]1C[C@@H](O)C[C@@H]1C 306334399 351921118 /nfs/dbraw/zinc/92/11/18/351921118.db2.gz FVMTVZGCHBIGLT-IUCAKERBSA-N 1 1 155.241 1.018 10 30 ADEEMO C=CC[N@@H+]1CCC[C@@](C)(OC)C1 306342629 351921515 /nfs/dbraw/zinc/92/15/15/351921515.db2.gz HPWUUXNCVNWISS-SNVBAGLBSA-N 1 1 169.268 1.673 10 30 ADEEMO C=CC[N@@H+]1CCC[C@](C)(OC)C1 306342628 351921667 /nfs/dbraw/zinc/92/16/67/351921667.db2.gz HPWUUXNCVNWISS-JTQLQIEISA-N 1 1 169.268 1.673 10 30 ADEEMO CC#CCC[N@H+]1CCOC[C@H]1C 306344198 351921735 /nfs/dbraw/zinc/92/17/35/351921735.db2.gz CHMWQOUKBZJGCY-SNVBAGLBSA-N 1 1 167.252 1.121 10 30 ADEEMO N#CC1(C[N@H+]2C[C@@H]3CCC[C@@H]32)CC1 306362092 351922590 /nfs/dbraw/zinc/92/25/90/351922590.db2.gz RIEGZQKRQOKGQL-UWVGGRQHSA-N 1 1 176.263 1.774 10 30 ADEEMO N#CC1(C[N@H+]2C[C@@H]3CCC[C@H]32)CC1 306362093 351922654 /nfs/dbraw/zinc/92/26/54/351922654.db2.gz RIEGZQKRQOKGQL-VHSXEESVSA-N 1 1 176.263 1.774 10 30 ADEEMO N#CC1(C[N@H+]2C[C@H]3CCC[C@H]32)CC1 306362091 351922711 /nfs/dbraw/zinc/92/27/11/351922711.db2.gz RIEGZQKRQOKGQL-NXEZZACHSA-N 1 1 176.263 1.774 10 30 ADEEMO N#CC1(C[N@H+]2C[C@H]3CCC[C@@H]32)CC1 306362094 351922772 /nfs/dbraw/zinc/92/27/72/351922772.db2.gz RIEGZQKRQOKGQL-ZJUUUORDSA-N 1 1 176.263 1.774 10 30 ADEEMO C=C[C@@H](C)[N@H+]1CCc2n[nH]cc2C1 306362770 351923121 /nfs/dbraw/zinc/92/31/21/351923121.db2.gz UVOWJRZWNKJXLB-MRVPVSSYSA-N 1 1 177.251 1.342 10 30 ADEEMO C=C[C@H](C)[N@H+]1CCc2n[nH]cc2C1 306362771 351923153 /nfs/dbraw/zinc/92/31/53/351923153.db2.gz UVOWJRZWNKJXLB-QMMMGPOBSA-N 1 1 177.251 1.342 10 30 ADEEMO C=CC[N@@H+]1CCc2cncnc2C1 306372628 351924207 /nfs/dbraw/zinc/92/42/07/351924207.db2.gz JSZDJKVNSBYSEO-UHFFFAOYSA-N 1 1 175.235 1.021 10 30 ADEEMO C=CC[N@H+]1CCc2cncnc2C1 306372628 351924209 /nfs/dbraw/zinc/92/42/09/351924209.db2.gz JSZDJKVNSBYSEO-UHFFFAOYSA-N 1 1 175.235 1.021 10 30 ADEEMO C=C(C)CC[N@H+]1CCO[C@H](C)C1 306385096 351924986 /nfs/dbraw/zinc/92/49/86/351924986.db2.gz CAWPKTBSMVSTAR-SNVBAGLBSA-N 1 1 169.268 1.673 10 30 ADEEMO C[C@H]1C[N@H+](CC2(C#N)CC2)CCS1 306393882 351925352 /nfs/dbraw/zinc/92/53/52/351925352.db2.gz FCAARTIVGGOHJI-VIFPVBQESA-N 1 1 196.319 1.727 10 30 ADEEMO C[C@H]1C[N@@H+](CC2(C#N)CC2)CCS1 306393882 351925354 /nfs/dbraw/zinc/92/53/54/351925354.db2.gz FCAARTIVGGOHJI-VIFPVBQESA-N 1 1 196.319 1.727 10 30 ADEEMO C=C(C)CC[N@@H+]1CCOC[C@@H](C)C1 306395873 351925517 /nfs/dbraw/zinc/92/55/17/351925517.db2.gz GXBSPKNRKRSJHU-NSHDSACASA-N 1 1 183.295 1.921 10 30 ADEEMO C=C(C)CC[N@@H+]1CCOC[C@H](C)C1 306395871 351925577 /nfs/dbraw/zinc/92/55/77/351925577.db2.gz GXBSPKNRKRSJHU-LLVKDONJSA-N 1 1 183.295 1.921 10 30 ADEEMO CC#CCN1CC[N@@H+](C)CC1(C)C 306423278 351927763 /nfs/dbraw/zinc/92/77/63/351927763.db2.gz BGGFSTLAXHDQKJ-UHFFFAOYSA-N 1 1 180.295 1.036 10 30 ADEEMO CC#CC[N@@H+]1CCN(C)CC1(C)C 306423278 351927765 /nfs/dbraw/zinc/92/77/65/351927765.db2.gz BGGFSTLAXHDQKJ-UHFFFAOYSA-N 1 1 180.295 1.036 10 30 ADEEMO CC#CC[N@H+]1CCN(C)CC1(C)C 306423278 351927766 /nfs/dbraw/zinc/92/77/66/351927766.db2.gz BGGFSTLAXHDQKJ-UHFFFAOYSA-N 1 1 180.295 1.036 10 30 ADEEMO CC1(C)CCC[N@H+]1CC[C@H]1CO1 306426550 351928417 /nfs/dbraw/zinc/92/84/17/351928417.db2.gz KKZGKZXUKOGOLL-VIFPVBQESA-N 1 1 169.268 1.650 10 30 ADEEMO CC1(C)CCC[N@H+]1CC[C@@H]1CO1 306426549 351928440 /nfs/dbraw/zinc/92/84/40/351928440.db2.gz KKZGKZXUKOGOLL-SECBINFHSA-N 1 1 169.268 1.650 10 30 ADEEMO C=C(C)C[N@H+]1CCO[C@@H](C2CC2)C1 306433326 351928723 /nfs/dbraw/zinc/92/87/23/351928723.db2.gz WPBOOTQZCAZBFO-LLVKDONJSA-N 1 1 181.279 1.673 10 30 ADEEMO C=C(C)C[N@H+]1CCO[C@H](C2CC2)C1 306433327 351928785 /nfs/dbraw/zinc/92/87/85/351928785.db2.gz WPBOOTQZCAZBFO-NSHDSACASA-N 1 1 181.279 1.673 10 30 ADEEMO C=CC[N@H+](C)[C@H]1CCN(C)[C@H](C)C1 306438499 351930342 /nfs/dbraw/zinc/93/03/42/351930342.db2.gz GMOLVWBLHGGVOM-MNOVXSKESA-N 1 1 182.311 1.587 10 30 ADEEMO C=CCN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 306438499 351930356 /nfs/dbraw/zinc/93/03/56/351930356.db2.gz GMOLVWBLHGGVOM-MNOVXSKESA-N 1 1 182.311 1.587 10 30 ADEEMO C=CCN(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 306438499 351930360 /nfs/dbraw/zinc/93/03/60/351930360.db2.gz GMOLVWBLHGGVOM-MNOVXSKESA-N 1 1 182.311 1.587 10 30 ADEEMO C=CC[N@H+](C)[C@H]1CCN(C)[C@@H](C)C1 306438500 351930399 /nfs/dbraw/zinc/93/03/99/351930399.db2.gz GMOLVWBLHGGVOM-QWRGUYRKSA-N 1 1 182.311 1.587 10 30 ADEEMO C=CCN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 306438500 351930410 /nfs/dbraw/zinc/93/04/10/351930410.db2.gz GMOLVWBLHGGVOM-QWRGUYRKSA-N 1 1 182.311 1.587 10 30 ADEEMO C=CCN(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 306438500 351930412 /nfs/dbraw/zinc/93/04/12/351930412.db2.gz GMOLVWBLHGGVOM-QWRGUYRKSA-N 1 1 182.311 1.587 10 30 ADEEMO C=CC[N@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 306438501 351930563 /nfs/dbraw/zinc/93/05/63/351930563.db2.gz GMOLVWBLHGGVOM-WDEREUQCSA-N 1 1 182.311 1.587 10 30 ADEEMO C=CCN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 306438501 351930570 /nfs/dbraw/zinc/93/05/70/351930570.db2.gz GMOLVWBLHGGVOM-WDEREUQCSA-N 1 1 182.311 1.587 10 30 ADEEMO C=CCN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 306438501 351930571 /nfs/dbraw/zinc/93/05/71/351930571.db2.gz GMOLVWBLHGGVOM-WDEREUQCSA-N 1 1 182.311 1.587 10 30 ADEEMO C=CC[N@H+](C)[C@@H]1CCN(C)[C@H](C)C1 306438498 351930575 /nfs/dbraw/zinc/93/05/75/351930575.db2.gz GMOLVWBLHGGVOM-GHMZBOCLSA-N 1 1 182.311 1.587 10 30 ADEEMO C=CCN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 306438498 351930582 /nfs/dbraw/zinc/93/05/82/351930582.db2.gz GMOLVWBLHGGVOM-GHMZBOCLSA-N 1 1 182.311 1.587 10 30 ADEEMO C=CCN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 306438498 351930583 /nfs/dbraw/zinc/93/05/83/351930583.db2.gz GMOLVWBLHGGVOM-GHMZBOCLSA-N 1 1 182.311 1.587 10 30 ADEEMO C=CC[N@@H+]1C[C@H](C)OC[C@H]1CC 306459848 351933117 /nfs/dbraw/zinc/93/31/17/351933117.db2.gz DUCAIBCXNDZQHX-VHSXEESVSA-N 1 1 169.268 1.672 10 30 ADEEMO C[C@H]1[C@H](C)C[N@H+]1CCCC#N 306457074 351933128 /nfs/dbraw/zinc/93/31/28/351933128.db2.gz URWNWXQNJMCMHT-BDAKNGLRSA-N 1 1 152.241 1.630 10 30 ADEEMO C=CC[N@@H+]1C[C@H](C)OC[C@@H]1CC 306459844 351933153 /nfs/dbraw/zinc/93/31/53/351933153.db2.gz DUCAIBCXNDZQHX-UWVGGRQHSA-N 1 1 169.268 1.672 10 30 ADEEMO C=CC[N@@H+]1C[C@@H](C)OC[C@@H]1CC 306459854 351933213 /nfs/dbraw/zinc/93/32/13/351933213.db2.gz DUCAIBCXNDZQHX-ZJUUUORDSA-N 1 1 169.268 1.672 10 30 ADEEMO C[C@H]1C[N@@H+](CCCC#N)[C@H]1C 306457076 351933233 /nfs/dbraw/zinc/93/32/33/351933233.db2.gz URWNWXQNJMCMHT-IUCAKERBSA-N 1 1 152.241 1.630 10 30 ADEEMO C[C@@H]1C[N@@H+](CCCC#N)[C@@H]1C 306457077 351933240 /nfs/dbraw/zinc/93/32/40/351933240.db2.gz URWNWXQNJMCMHT-RKDXNWHRSA-N 1 1 152.241 1.630 10 30 ADEEMO C[C@H]1C[N@@H+](CCCC#N)[C@@H]1C 306457075 351933290 /nfs/dbraw/zinc/93/32/90/351933290.db2.gz URWNWXQNJMCMHT-DTWKUNHWSA-N 1 1 152.241 1.630 10 30 ADEEMO C=CC[N@@H+]1C[C@@H](C)OC[C@H]1CC 306459840 351933329 /nfs/dbraw/zinc/93/33/29/351933329.db2.gz DUCAIBCXNDZQHX-NXEZZACHSA-N 1 1 169.268 1.672 10 30 ADEEMO C=CCC[N@H+]1CCn2ccnc2C1 306488703 351936490 /nfs/dbraw/zinc/93/64/90/351936490.db2.gz KUNSHERFHIXBLM-UHFFFAOYSA-N 1 1 177.251 1.275 10 30 ADEEMO C=C(C)CC[N@H+]1CC[C@H](O)C1(C)C 306493278 351937382 /nfs/dbraw/zinc/93/73/82/351937382.db2.gz RNNHOSKNQHOFOP-JTQLQIEISA-N 1 1 183.295 1.798 10 30 ADEEMO C=C(C)CC[N@H+]1CC[C@@H](O)C1(C)C 306493279 351937390 /nfs/dbraw/zinc/93/73/90/351937390.db2.gz RNNHOSKNQHOFOP-SNVBAGLBSA-N 1 1 183.295 1.798 10 30 ADEEMO C=C(C)CC[N@H+]1C[C@@H](O)C2(CC2)C1 306492905 351937600 /nfs/dbraw/zinc/93/76/00/351937600.db2.gz QVTWNPYAJDNZAL-SNVBAGLBSA-N 1 1 181.279 1.409 10 30 ADEEMO CC#CC[N@@H+]1CCO[C@H](C2CC2)C1 306492840 351937717 /nfs/dbraw/zinc/93/77/17/351937717.db2.gz QNYCXRMIJAQYFK-NSHDSACASA-N 1 1 179.263 1.121 10 30 ADEEMO CC#CC[N@H+]1CCO[C@H](C2CC2)C1 306492840 351937720 /nfs/dbraw/zinc/93/77/20/351937720.db2.gz QNYCXRMIJAQYFK-NSHDSACASA-N 1 1 179.263 1.121 10 30 ADEEMO CC#CC[N@@H+]1CCO[C@@H](C2CC2)C1 306492839 351937800 /nfs/dbraw/zinc/93/78/00/351937800.db2.gz QNYCXRMIJAQYFK-LLVKDONJSA-N 1 1 179.263 1.121 10 30 ADEEMO CC#CC[N@H+]1CCO[C@@H](C2CC2)C1 306492839 351937805 /nfs/dbraw/zinc/93/78/05/351937805.db2.gz QNYCXRMIJAQYFK-LLVKDONJSA-N 1 1 179.263 1.121 10 30 ADEEMO C=CC[N@H+]1CCO[C@@H](C2CC2)C1 306495250 351938211 /nfs/dbraw/zinc/93/82/11/351938211.db2.gz BQUBPTDKEWLNPF-SNVBAGLBSA-N 1 1 167.252 1.283 10 30 ADEEMO C=CC[N@H+]1CCO[C@H](C2CC2)C1 306495249 351938240 /nfs/dbraw/zinc/93/82/40/351938240.db2.gz BQUBPTDKEWLNPF-JTQLQIEISA-N 1 1 167.252 1.283 10 30 ADEEMO C=CC[N@@H+]1CC[C@](C)(F)C1 306497914 351938475 /nfs/dbraw/zinc/93/84/75/351938475.db2.gz CJWLCADMRLFIDY-QMMMGPOBSA-N 1 1 143.205 1.606 10 30 ADEEMO C=CC[N@@H+]1CC[C@@](C)(F)C1 306497913 351938485 /nfs/dbraw/zinc/93/84/85/351938485.db2.gz CJWLCADMRLFIDY-MRVPVSSYSA-N 1 1 143.205 1.606 10 30 ADEEMO C=C(C)C[N@H+]1C[C@H](O)[C@H](CC)C1 306545876 351944215 /nfs/dbraw/zinc/94/42/15/351944215.db2.gz GLXZZPWTOFVXAN-ZJUUUORDSA-N 1 1 169.268 1.265 10 30 ADEEMO C=CCN1CC[C@]2(CCC[NH2+]C2)C1 306542734 351944260 /nfs/dbraw/zinc/94/42/60/351944260.db2.gz REJXLDYAUWZSLJ-NSHDSACASA-N 1 1 180.295 1.248 10 30 ADEEMO C=C(C)C[N@H+]1C[C@@H](O)[C@@H](CC)C1 306545869 351944292 /nfs/dbraw/zinc/94/42/92/351944292.db2.gz GLXZZPWTOFVXAN-VHSXEESVSA-N 1 1 169.268 1.265 10 30 ADEEMO C=CCC[N@H+]1[C@@H](C)COC[C@H]1C 306546031 351944318 /nfs/dbraw/zinc/94/43/18/351944318.db2.gz HCSSTYHXRRVRPW-AOOOYVTPSA-N 1 1 169.268 1.672 10 30 ADEEMO C=C(C)C[N@@H+]1C[C@H](CC)[C@@H](O)C1 306545862 351944351 /nfs/dbraw/zinc/94/43/51/351944351.db2.gz GLXZZPWTOFVXAN-UWVGGRQHSA-N 1 1 169.268 1.265 10 30 ADEEMO C=C(C)C[N@H+]1C[C@@H](O)[C@H](CC)C1 306545855 351944357 /nfs/dbraw/zinc/94/43/57/351944357.db2.gz GLXZZPWTOFVXAN-NXEZZACHSA-N 1 1 169.268 1.265 10 30 ADEEMO C=CCN1CC[C@@]2(CCC[NH2+]C2)C1 306542732 351944403 /nfs/dbraw/zinc/94/44/03/351944403.db2.gz REJXLDYAUWZSLJ-LLVKDONJSA-N 1 1 180.295 1.248 10 30 ADEEMO C=CCCN1CC[C@H]2[NH2+]CC[C@H]2C1 306565221 351946418 /nfs/dbraw/zinc/94/64/18/351946418.db2.gz XPJBXSGGLSXFDT-WDEREUQCSA-N 1 1 180.295 1.246 10 30 ADEEMO N#CCC[NH2+][C@H]1CC[C@H](C#N)C1 306565652 351946424 /nfs/dbraw/zinc/94/64/24/351946424.db2.gz FQCRGZGXLDMGHS-IUCAKERBSA-N 1 1 163.224 1.182 10 30 ADEEMO C=CCCN1CC[C@@H]2[NH2+]CC[C@@H]2C1 306565014 351946445 /nfs/dbraw/zinc/94/64/45/351946445.db2.gz XPJBXSGGLSXFDT-MNOVXSKESA-N 1 1 180.295 1.246 10 30 ADEEMO N#CCC[NH2+][C@H]1CC[C@@H](C#N)C1 306565650 351946447 /nfs/dbraw/zinc/94/64/47/351946447.db2.gz FQCRGZGXLDMGHS-BDAKNGLRSA-N 1 1 163.224 1.182 10 30 ADEEMO N#CCC[NH2+][C@@H]1CC[C@@H](C#N)C1 306565653 351946450 /nfs/dbraw/zinc/94/64/50/351946450.db2.gz FQCRGZGXLDMGHS-RKDXNWHRSA-N 1 1 163.224 1.182 10 30 ADEEMO C=CCCN1CC[C@H]2[NH2+]CC[C@@H]2C1 306565013 351946456 /nfs/dbraw/zinc/94/64/56/351946456.db2.gz XPJBXSGGLSXFDT-GHMZBOCLSA-N 1 1 180.295 1.246 10 30 ADEEMO CC1(C)[C@@H](O)CC[N@H+]1CCCC#N 306569487 351946570 /nfs/dbraw/zinc/94/65/70/351946570.db2.gz LBDJGWKCNBNVEF-VIFPVBQESA-N 1 1 182.267 1.135 10 30 ADEEMO C=CC[N@@H+]1CCC[C@H]1c1cc[nH]n1 306567708 351946803 /nfs/dbraw/zinc/94/68/03/351946803.db2.gz CKHXMZDQGHMREB-JTQLQIEISA-N 1 1 177.251 1.733 10 30 ADEEMO C=CC[N@H+]1CCC[C@H]1c1cc[nH]n1 306567708 351946809 /nfs/dbraw/zinc/94/68/09/351946809.db2.gz CKHXMZDQGHMREB-JTQLQIEISA-N 1 1 177.251 1.733 10 30 ADEEMO C=CC[N@@H+]1CCC[C@@H]1c1cc[nH]n1 306567709 351946870 /nfs/dbraw/zinc/94/68/70/351946870.db2.gz CKHXMZDQGHMREB-SNVBAGLBSA-N 1 1 177.251 1.733 10 30 ADEEMO C=CC[N@H+]1CCC[C@@H]1c1cc[nH]n1 306567709 351946875 /nfs/dbraw/zinc/94/68/75/351946875.db2.gz CKHXMZDQGHMREB-SNVBAGLBSA-N 1 1 177.251 1.733 10 30 ADEEMO CC#CC[N@H+]1CCCC[C@@]1(C)CO 306566577 351946947 /nfs/dbraw/zinc/94/69/47/351946947.db2.gz ZZZPTNWXSVNCEY-NSHDSACASA-N 1 1 181.279 1.247 10 30 ADEEMO C=C(C)CC[N@H+]1C[C@@H](C)C[C@@H](O)C1 306602965 351949785 /nfs/dbraw/zinc/94/97/85/351949785.db2.gz DCJOWYCCMJKALW-WDEREUQCSA-N 1 1 183.295 1.655 10 30 ADEEMO C=CC[N@@H+]1CCOCC12CC2 306593690 351949180 /nfs/dbraw/zinc/94/91/80/351949180.db2.gz DYFRIVVWRKITKW-UHFFFAOYSA-N 1 1 153.225 1.037 10 30 ADEEMO C=CC[N@H+]1CCOCC12CC2 306593690 351949181 /nfs/dbraw/zinc/94/91/81/351949181.db2.gz DYFRIVVWRKITKW-UHFFFAOYSA-N 1 1 153.225 1.037 10 30 ADEEMO C=C(C)CC[N@H+]1C[C@H](C)C[C@@H](O)C1 306602962 351949626 /nfs/dbraw/zinc/94/96/26/351949626.db2.gz DCJOWYCCMJKALW-GHMZBOCLSA-N 1 1 183.295 1.655 10 30 ADEEMO C=C(C)CC[N@H+]1C[C@@H](C)C[C@H](O)C1 306602964 351949766 /nfs/dbraw/zinc/94/97/66/351949766.db2.gz DCJOWYCCMJKALW-QWRGUYRKSA-N 1 1 183.295 1.655 10 30 ADEEMO C=CC[N@H+]1CC[C@H](n2cccn2)C1 306611649 351950384 /nfs/dbraw/zinc/95/03/84/351950384.db2.gz GVADASMSKUYLQL-JTQLQIEISA-N 1 1 177.251 1.316 10 30 ADEEMO C=CC[N@H+]1CC[C@@H](n2cccn2)C1 306611650 351950407 /nfs/dbraw/zinc/95/04/07/351950407.db2.gz GVADASMSKUYLQL-SNVBAGLBSA-N 1 1 177.251 1.316 10 30 ADEEMO C[N@H+]1CCC[C@](O)(C2(C#N)CC2)CC1 306612647 351950763 /nfs/dbraw/zinc/95/07/63/351950763.db2.gz JAIGBSBOAZDBQW-LLVKDONJSA-N 1 1 194.278 1.137 10 30 ADEEMO C[N@H+]1CCC[C@@](O)(C2(C#N)CC2)CC1 306612648 351950960 /nfs/dbraw/zinc/95/09/60/351950960.db2.gz JAIGBSBOAZDBQW-NSHDSACASA-N 1 1 194.278 1.137 10 30 ADEEMO C=CC[N@@H+]1CCC[C@@H](O)[C@@H]1C 306668136 351954565 /nfs/dbraw/zinc/95/45/65/351954565.db2.gz WDOVOWGAHHHFIE-DTWKUNHWSA-N 1 1 155.241 1.018 10 30 ADEEMO C=CC[N@@H+]1C[C@@H](CO)C[C@@H](C)C1 306667340 351954578 /nfs/dbraw/zinc/95/45/78/351954578.db2.gz GOHLTDTXPNTHHU-ZJUUUORDSA-N 1 1 169.268 1.123 10 30 ADEEMO C=CC[N@H+]1C[C@@H](C)C[C@H](CO)C1 306667338 351954596 /nfs/dbraw/zinc/95/45/96/351954596.db2.gz GOHLTDTXPNTHHU-UWVGGRQHSA-N 1 1 169.268 1.123 10 30 ADEEMO C=CC[N@@H+]1CCC[C@H](O)[C@@H]1C 306668137 351954600 /nfs/dbraw/zinc/95/46/00/351954600.db2.gz WDOVOWGAHHHFIE-IUCAKERBSA-N 1 1 155.241 1.018 10 30 ADEEMO C=CC[N@H+]1C[C@H](C)C[C@@H](CO)C1 306667337 351954623 /nfs/dbraw/zinc/95/46/23/351954623.db2.gz GOHLTDTXPNTHHU-NXEZZACHSA-N 1 1 169.268 1.123 10 30 ADEEMO C=CC[N@@H+]1CCC[C@@H](O)[C@H]1C 306668138 351954679 /nfs/dbraw/zinc/95/46/79/351954679.db2.gz WDOVOWGAHHHFIE-RKDXNWHRSA-N 1 1 155.241 1.018 10 30 ADEEMO C=CC[N@H+]1C[C@@H](C)C[C@@H](CO)C1 306667339 351954709 /nfs/dbraw/zinc/95/47/09/351954709.db2.gz GOHLTDTXPNTHHU-VHSXEESVSA-N 1 1 169.268 1.123 10 30 ADEEMO C=CC[N@@H+]1CCC[C@H](O)[C@H]1C 306668135 351954730 /nfs/dbraw/zinc/95/47/30/351954730.db2.gz WDOVOWGAHHHFIE-BDAKNGLRSA-N 1 1 155.241 1.018 10 30 ADEEMO CC#CCC[N@H+]1C[C@H](C)C[C@@H](O)C1 306687522 351955667 /nfs/dbraw/zinc/95/56/67/351955667.db2.gz LOEZEAAQGJLUFA-GHMZBOCLSA-N 1 1 181.279 1.103 10 30 ADEEMO CC1(C)[C@H]2C[N@@H+](CCCC#N)C[C@H]21 306687776 351955771 /nfs/dbraw/zinc/95/57/71/351955771.db2.gz IBCWQRACIPFHJF-AOOOYVTPSA-N 1 1 178.279 1.878 10 30 ADEEMO CC#CCC[N@H+]1C[C@@H](C)C[C@H](O)C1 306687525 351955781 /nfs/dbraw/zinc/95/57/81/351955781.db2.gz LOEZEAAQGJLUFA-QWRGUYRKSA-N 1 1 181.279 1.103 10 30 ADEEMO C=CC[N@H+]1CCC[C@@H]2COCC[C@H]21 306688355 351956160 /nfs/dbraw/zinc/95/61/60/351956160.db2.gz JDZHBEBDQBVKQP-GHMZBOCLSA-N 1 1 181.279 1.673 10 30 ADEEMO C=CC[N@H+]1CCC[C@H]2COCC[C@H]21 306688358 351956218 /nfs/dbraw/zinc/95/62/18/351956218.db2.gz JDZHBEBDQBVKQP-WDEREUQCSA-N 1 1 181.279 1.673 10 30 ADEEMO C=CC[N@H+]1CCC[C@H]2COCC[C@@H]21 306688357 351956441 /nfs/dbraw/zinc/95/64/41/351956441.db2.gz JDZHBEBDQBVKQP-QWRGUYRKSA-N 1 1 181.279 1.673 10 30 ADEEMO C=CC[N@H+]1CCC[C@@H]2COCC[C@@H]21 306688356 351956502 /nfs/dbraw/zinc/95/65/02/351956502.db2.gz JDZHBEBDQBVKQP-MNOVXSKESA-N 1 1 181.279 1.673 10 30 ADEEMO N#CC1(C[N@H+]2CCC23CCC3)CC1 306709418 351957447 /nfs/dbraw/zinc/95/74/47/351957447.db2.gz LSSQAYCEJCFDEH-UHFFFAOYSA-N 1 1 176.263 1.919 10 30 ADEEMO N#CCC[N@H+]1CCCC12CCC2 306719213 351958517 /nfs/dbraw/zinc/95/85/17/351958517.db2.gz XMZWZINAQIANHH-UHFFFAOYSA-N 1 1 164.252 1.919 10 30 ADEEMO C=CC[N@@H+]1CCOC[C@@H]1CC 306749355 351960916 /nfs/dbraw/zinc/96/09/16/351960916.db2.gz FWUNWSARTWJQOH-VIFPVBQESA-N 1 1 155.241 1.283 10 30 ADEEMO C=CC[N@@H+]1CCOC[C@H]1CC 306749353 351961029 /nfs/dbraw/zinc/96/10/29/351961029.db2.gz FWUNWSARTWJQOH-SECBINFHSA-N 1 1 155.241 1.283 10 30 ADEEMO CC(C)(C#N)C[N@H+]1CCCSCC1 306750664 351961513 /nfs/dbraw/zinc/96/15/13/351961513.db2.gz GWPNCXCLZJWWHS-UHFFFAOYSA-N 1 1 198.335 1.975 10 30 ADEEMO N#Cc1cccc([C@@H]([NH3+])CF)c1O 306753701 351962358 /nfs/dbraw/zinc/96/23/58/351962358.db2.gz PEBVOLZPLMKROQ-QMMMGPOBSA-N 1 1 180.182 1.233 10 30 ADEEMO C=C(CC)C[N@H+]1C[C@@H](O)C2(CC2)C1 306785074 351965095 /nfs/dbraw/zinc/96/50/95/351965095.db2.gz IXTPIRYTFNEQAU-SNVBAGLBSA-N 1 1 181.279 1.409 10 30 ADEEMO C=C(CC)C[N@H+]1C[C@H](O)C2(CC2)C1 306785073 351965104 /nfs/dbraw/zinc/96/51/04/351965104.db2.gz IXTPIRYTFNEQAU-JTQLQIEISA-N 1 1 181.279 1.409 10 30 ADEEMO C=C(C)CC[N@H+]1CCC[C@@H](O)CC1 306789229 351965537 /nfs/dbraw/zinc/96/55/37/351965537.db2.gz STAPVBNPUBVWRA-LLVKDONJSA-N 1 1 183.295 1.799 10 30 ADEEMO C=C(CC)C[N@H+]1C[C@@H]2CC[C@H](C1)O2 306852787 351969288 /nfs/dbraw/zinc/96/92/88/351969288.db2.gz SHYHDWRATHMPOI-PHIMTYICSA-N 1 1 181.279 1.816 10 30 ADEEMO CC#CCC[N@H+]1CCO[C@@H](C)C1 306860721 351969901 /nfs/dbraw/zinc/96/99/01/351969901.db2.gz GGLWVIVUYQEMBZ-JTQLQIEISA-N 1 1 167.252 1.121 10 30 ADEEMO C=C(C)C[N@H+]1C[C@H](C)C[C@@H](O)C1 306867075 351970331 /nfs/dbraw/zinc/97/03/31/351970331.db2.gz PALRUWROOOQDFX-NXEZZACHSA-N 1 1 169.268 1.265 10 30 ADEEMO C=C(C)C[N@H+]1C[C@@H](C)C[C@@H](O)C1 306867079 351970436 /nfs/dbraw/zinc/97/04/36/351970436.db2.gz PALRUWROOOQDFX-VHSXEESVSA-N 1 1 169.268 1.265 10 30 ADEEMO C=C(C)C[N@H+]1C[C@@H](C)C[C@H](O)C1 306867077 351970653 /nfs/dbraw/zinc/97/06/53/351970653.db2.gz PALRUWROOOQDFX-UWVGGRQHSA-N 1 1 169.268 1.265 10 30 ADEEMO C[C@H](C#N)CNc1cc[nH+]cc1 306909089 351973249 /nfs/dbraw/zinc/97/32/49/351973249.db2.gz GGQQVCGWDAGFEI-MRVPVSSYSA-N 1 1 161.208 1.653 10 30 ADEEMO C[C@@H](C#N)CNc1cc[nH+]cc1 306909090 351973339 /nfs/dbraw/zinc/97/33/39/351973339.db2.gz GGQQVCGWDAGFEI-QMMMGPOBSA-N 1 1 161.208 1.653 10 30 ADEEMO C=C(CC)C[N@H+]1CCO[C@@H](C)C1 306909392 351973813 /nfs/dbraw/zinc/97/38/13/351973813.db2.gz HJVNRVUXKNYRNY-JTQLQIEISA-N 1 1 169.268 1.673 10 30 ADEEMO C=CCC[N@H+]1C[C@@H](C)C[C@@H](O)C1 306910970 351974111 /nfs/dbraw/zinc/97/41/11/351974111.db2.gz QFFXEWWOLGQMED-VHSXEESVSA-N 1 1 169.268 1.265 10 30 ADEEMO C=CCC[N@H+]1C[C@H](C)C[C@@H](O)C1 306910968 351974161 /nfs/dbraw/zinc/97/41/61/351974161.db2.gz QFFXEWWOLGQMED-NXEZZACHSA-N 1 1 169.268 1.265 10 30 ADEEMO C=CCC[N@H+]1C[C@@H](C)C[C@H](O)C1 306910969 351974212 /nfs/dbraw/zinc/97/42/12/351974212.db2.gz QFFXEWWOLGQMED-UWVGGRQHSA-N 1 1 169.268 1.265 10 30 ADEEMO C=C(C)CCN1CC[N@H+]2CCC[C@@H]2C1 307025491 351981736 /nfs/dbraw/zinc/98/17/36/351981736.db2.gz JILAXYCZFDCHQW-GFCCVEGCSA-N 1 1 194.322 1.733 10 30 ADEEMO C=C(C)CCN1CC[N@H+]2CCC[C@H]2C1 307025492 351981946 /nfs/dbraw/zinc/98/19/46/351981946.db2.gz JILAXYCZFDCHQW-LBPRGKRZSA-N 1 1 194.322 1.733 10 30 ADEEMO C=C(CC)C[N@H+]1CCC[C@H](O)[C@@H]1C 307090066 351986124 /nfs/dbraw/zinc/98/61/24/351986124.db2.gz VYOKXSRUTJEIAA-QWRGUYRKSA-N 1 1 183.295 1.798 10 30 ADEEMO C=C(CC)C[N@H+]1CCC[C@@H](O)[C@H]1C 307090063 351985916 /nfs/dbraw/zinc/98/59/16/351985916.db2.gz VYOKXSRUTJEIAA-GHMZBOCLSA-N 1 1 183.295 1.798 10 30 ADEEMO C=C(CC)C[N@H+]1CCC[C@@H](O)[C@@H]1C 307090068 351985956 /nfs/dbraw/zinc/98/59/56/351985956.db2.gz VYOKXSRUTJEIAA-WDEREUQCSA-N 1 1 183.295 1.798 10 30 ADEEMO C=C(CC)C[N@H+]1CCC[C@H](O)[C@H]1C 307090065 351986015 /nfs/dbraw/zinc/98/60/15/351986015.db2.gz VYOKXSRUTJEIAA-MNOVXSKESA-N 1 1 183.295 1.798 10 30 ADEEMO C=CC[N@H+](C)[C@H]1CC[C@H](O)CC1 307082642 351986039 /nfs/dbraw/zinc/98/60/39/351986039.db2.gz JSVSPCFNNHNWOA-MGCOHNPYSA-N 1 1 169.268 1.408 10 30 ADEEMO C=CC[N@H+]1CCO[C@](C)(CC)C1 307095381 351986325 /nfs/dbraw/zinc/98/63/25/351986325.db2.gz CHRBWPLRIQMWOZ-SNVBAGLBSA-N 1 1 169.268 1.673 10 30 ADEEMO C=CC[N@@H+]1CCC[C@@H]1C(C)(C)O 307099232 351986389 /nfs/dbraw/zinc/98/63/89/351986389.db2.gz FUMBCXPASANNRG-SECBINFHSA-N 1 1 169.268 1.408 10 30 ADEEMO C=CC[N@@H+]1CCC[C@H]1C(C)(C)O 307099233 351986483 /nfs/dbraw/zinc/98/64/83/351986483.db2.gz FUMBCXPASANNRG-VIFPVBQESA-N 1 1 169.268 1.408 10 30 ADEEMO C=CC[N@H+]1CCO[C@@](C)(CC)C1 307095371 351986564 /nfs/dbraw/zinc/98/65/64/351986564.db2.gz CHRBWPLRIQMWOZ-JTQLQIEISA-N 1 1 169.268 1.673 10 30 ADEEMO C=CC[N@H+]1CC[C@@](O)(C(F)(F)F)C1 307165316 351991307 /nfs/dbraw/zinc/99/13/07/351991307.db2.gz NBNIHQPTTNMRAY-ZETCQYMHSA-N 1 1 195.184 1.172 10 30 ADEEMO C=CC[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 307165316 351991310 /nfs/dbraw/zinc/99/13/10/351991310.db2.gz NBNIHQPTTNMRAY-ZETCQYMHSA-N 1 1 195.184 1.172 10 30 ADEEMO C=CC[N@H+]1CC[C@](O)(C(F)(F)F)C1 307165315 351991433 /nfs/dbraw/zinc/99/14/33/351991433.db2.gz NBNIHQPTTNMRAY-SSDOTTSWSA-N 1 1 195.184 1.172 10 30 ADEEMO C=CC[N@@H+]1CC[C@](O)(C(F)(F)F)C1 307165315 351991435 /nfs/dbraw/zinc/99/14/35/351991435.db2.gz NBNIHQPTTNMRAY-SSDOTTSWSA-N 1 1 195.184 1.172 10 30 ADEEMO N#C[C@]1(CCCF)CCC[NH2+]1 307213519 351995936 /nfs/dbraw/zinc/99/59/36/351995936.db2.gz XXJCTLPNQJJTGJ-QMMMGPOBSA-N 1 1 156.204 1.382 10 30 ADEEMO N#C[C@@]1(CCCF)CCC[NH2+]1 307213518 351996145 /nfs/dbraw/zinc/99/61/45/351996145.db2.gz XXJCTLPNQJJTGJ-MRVPVSSYSA-N 1 1 156.204 1.382 10 30 ADEEMO C=CCC[N@@H+]1CC[C@@H](O)C1(C)C 307226589 351996816 /nfs/dbraw/zinc/99/68/16/351996816.db2.gz VQWSARWTTPDGGB-SECBINFHSA-N 1 1 169.268 1.408 10 30 ADEEMO C=CC[N@H+]1[C@@H](C)C[C@H](O)C[C@H]1C 307232160 351997323 /nfs/dbraw/zinc/99/73/23/351997323.db2.gz CCCGPLIFESGDON-ILWJIGKKSA-N 1 1 169.268 1.406 10 30 ADEEMO C=C(C)C[N@H+]1CCC[C@@H]1CF 307239008 351997676 /nfs/dbraw/zinc/99/76/76/351997676.db2.gz HJSSWNUOCMQXRC-SECBINFHSA-N 1 1 157.232 1.996 10 30 ADEEMO C=C(C)C[N@H+]1CCC[C@H]1CF 307239015 351997979 /nfs/dbraw/zinc/99/79/79/351997979.db2.gz HJSSWNUOCMQXRC-VIFPVBQESA-N 1 1 157.232 1.996 10 30 ADEEMO C=C(C)C[N@@H+]1CCC[C@@H](O)[C@@H]1C 307254568 351998275 /nfs/dbraw/zinc/99/82/75/351998275.db2.gz XZVPHXAEAJIRMQ-VHSXEESVSA-N 1 1 169.268 1.408 10 30 ADEEMO C[C@H]1[C@H](O)CCC[N@H+]1CCCC#N 307254346 351998335 /nfs/dbraw/zinc/99/83/35/351998335.db2.gz XOHVDBLUCLYWFW-VHSXEESVSA-N 1 1 182.267 1.135 10 30 ADEEMO C=C(C)C[N@@H+]1CCC[C@H](O)[C@@H]1C 307254567 351998373 /nfs/dbraw/zinc/99/83/73/351998373.db2.gz XZVPHXAEAJIRMQ-UWVGGRQHSA-N 1 1 169.268 1.408 10 30 ADEEMO C=C(C)C[N@@H+]1CCC[C@@H](O)[C@H]1C 307254566 351998401 /nfs/dbraw/zinc/99/84/01/351998401.db2.gz XZVPHXAEAJIRMQ-NXEZZACHSA-N 1 1 169.268 1.408 10 30 ADEEMO C[C@H]1[C@@H](O)CCC[N@H+]1CCCC#N 307254345 351998419 /nfs/dbraw/zinc/99/84/19/351998419.db2.gz XOHVDBLUCLYWFW-UWVGGRQHSA-N 1 1 182.267 1.135 10 30 ADEEMO C[C@@H]1[C@H](O)CCC[N@H+]1CCCC#N 307254344 351998449 /nfs/dbraw/zinc/99/84/49/351998449.db2.gz XOHVDBLUCLYWFW-NXEZZACHSA-N 1 1 182.267 1.135 10 30 ADEEMO C=C(C)C[N@@H+]1CCC[C@H](O)[C@H]1C 307254569 351998499 /nfs/dbraw/zinc/99/84/99/351998499.db2.gz XZVPHXAEAJIRMQ-ZJUUUORDSA-N 1 1 169.268 1.408 10 30 ADEEMO CC[C@@H]1CC[N@H+]1CC1(C#N)CC1 307286389 352001011 /nfs/dbraw/zinc/00/10/11/352001011.db2.gz QXYPCXADYXCOIX-SECBINFHSA-N 1 1 164.252 1.774 10 30 ADEEMO CC[C@H]1CC[N@H+]1CC1(C#N)CC1 307286390 352001171 /nfs/dbraw/zinc/00/11/71/352001171.db2.gz QXYPCXADYXCOIX-VIFPVBQESA-N 1 1 164.252 1.774 10 30 ADEEMO CC#CC[N@H+]1[C@@H](C)C[C@H](O)C[C@H]1C 307294778 352001254 /nfs/dbraw/zinc/00/12/54/352001254.db2.gz NMDXYBKYHYRFIK-JGPRNRPPSA-N 1 1 181.279 1.243 10 30 ADEEMO C=CCC[C@]1(O)C[C@@H](C)[N@H+](C)C1 307385215 352009205 /nfs/dbraw/zinc/00/92/05/352009205.db2.gz JTNBOJMIPKVLHV-ZJUUUORDSA-N 1 1 169.268 1.408 10 30 ADEEMO C=C(C)C[N@H+]1C[C@@H](O)C2(CC2)C1 307397419 352009741 /nfs/dbraw/zinc/00/97/41/352009741.db2.gz VSYIKGHZHFHPRS-SECBINFHSA-N 1 1 167.252 1.019 10 30 ADEEMO C=C(C)C[N@H+]1C[C@H](O)C2(CC2)C1 307397420 352009919 /nfs/dbraw/zinc/00/99/19/352009919.db2.gz VSYIKGHZHFHPRS-VIFPVBQESA-N 1 1 167.252 1.019 10 30 ADEEMO C=C(C)CC[N@@H+]1CCC[C@@H](O)[C@@H]1C 307399875 352010180 /nfs/dbraw/zinc/01/01/80/352010180.db2.gz ATFMKSSSQWZMNI-WDEREUQCSA-N 1 1 183.295 1.798 10 30 ADEEMO C=C(C)CC[N@@H+]1CCC[C@H](O)[C@@H]1C 307399874 352010191 /nfs/dbraw/zinc/01/01/91/352010191.db2.gz ATFMKSSSQWZMNI-QWRGUYRKSA-N 1 1 183.295 1.798 10 30 ADEEMO C=C(C)CC[N@@H+]1CCC[C@@H](O)[C@H]1C 307399872 352010290 /nfs/dbraw/zinc/01/02/90/352010290.db2.gz ATFMKSSSQWZMNI-GHMZBOCLSA-N 1 1 183.295 1.798 10 30 ADEEMO C=C(C)CC[N@@H+]1CCC[C@H](O)[C@H]1C 307399873 352010304 /nfs/dbraw/zinc/01/03/04/352010304.db2.gz ATFMKSSSQWZMNI-MNOVXSKESA-N 1 1 183.295 1.798 10 30 ADEEMO C=C(C)CC[N@H+]1CCOCC12CC2 307422050 352012221 /nfs/dbraw/zinc/01/22/21/352012221.db2.gz HYGHFUCPYQCVEH-UHFFFAOYSA-N 1 1 181.279 1.817 10 30 ADEEMO C=CCC[N@@H+]1CCC[C@H](O)[C@@H]1C 307426062 352012234 /nfs/dbraw/zinc/01/22/34/352012234.db2.gz RJJKBZBNRQCMFI-UWVGGRQHSA-N 1 1 169.268 1.408 10 30 ADEEMO C=CCC[N@@H+]1CCC[C@@H](O)[C@H]1C 307426060 352012266 /nfs/dbraw/zinc/01/22/66/352012266.db2.gz RJJKBZBNRQCMFI-NXEZZACHSA-N 1 1 169.268 1.408 10 30 ADEEMO C=CCC[N@@H+]1CCC[C@@H](O)[C@@H]1C 307426065 352012332 /nfs/dbraw/zinc/01/23/32/352012332.db2.gz RJJKBZBNRQCMFI-VHSXEESVSA-N 1 1 169.268 1.408 10 30 ADEEMO C=CCC[N@@H+]1CCC[C@H](O)[C@H]1C 307426066 352012951 /nfs/dbraw/zinc/01/29/51/352012951.db2.gz RJJKBZBNRQCMFI-ZJUUUORDSA-N 1 1 169.268 1.408 10 30 ADEEMO CC#CCC[N@H+]1CC[C@@](C)(F)C1 307458956 352014742 /nfs/dbraw/zinc/01/47/42/352014742.db2.gz AJVOLKSRDTTZIT-SNVBAGLBSA-N 1 1 169.243 1.834 10 30 ADEEMO CC#CCC[N@H+]1CC[C@](C)(F)C1 307458954 352014855 /nfs/dbraw/zinc/01/48/55/352014855.db2.gz AJVOLKSRDTTZIT-JTQLQIEISA-N 1 1 169.243 1.834 10 30 ADEEMO C=CC[N@H+]1[C@@H](C)COC[C@H]1C 307470079 352015314 /nfs/dbraw/zinc/01/53/14/352015314.db2.gz NWSBEMKXTOFXBK-DTORHVGOSA-N 1 1 155.241 1.282 10 30 ADEEMO C=C(CC)C[N@H+]1CC[C@@H](O)C[C@H]1C 307465790 352015342 /nfs/dbraw/zinc/01/53/42/352015342.db2.gz AMYQHVDSLGCVDS-GHMZBOCLSA-N 1 1 183.295 1.798 10 30 ADEEMO C=C(CC)CN1CC[N@H+]2CCC[C@H]2C1 307518864 352018600 /nfs/dbraw/zinc/01/86/00/352018600.db2.gz ZJNNBLZKRIUJIZ-LBPRGKRZSA-N 1 1 194.322 1.733 10 30 ADEEMO C=C(CC)CN1CC[N@H+]2CCC[C@@H]2C1 307518863 352018674 /nfs/dbraw/zinc/01/86/74/352018674.db2.gz ZJNNBLZKRIUJIZ-GFCCVEGCSA-N 1 1 194.322 1.733 10 30 ADEEMO C[N@@H+](CCC#N)[C@H]1CC[C@H](O)CC1 307529096 352020122 /nfs/dbraw/zinc/02/01/22/352020122.db2.gz TZSSUBSQOJIMGG-MGCOHNPYSA-N 1 1 182.267 1.135 10 30 ADEEMO C[N@H+](CC(C)(C)C#N)[C@@H]1CCOC1 307532196 352020703 /nfs/dbraw/zinc/02/07/03/352020703.db2.gz YSHHULWCKRWITI-SECBINFHSA-N 1 1 182.267 1.257 10 30 ADEEMO C[N@@H+](CC(C)(C)C#N)[C@@H]1CCOC1 307532196 352020705 /nfs/dbraw/zinc/02/07/05/352020705.db2.gz YSHHULWCKRWITI-SECBINFHSA-N 1 1 182.267 1.257 10 30 ADEEMO C[N@H+](CC(C)(C)C#N)[C@H]1CCOC1 307532197 352020858 /nfs/dbraw/zinc/02/08/58/352020858.db2.gz YSHHULWCKRWITI-VIFPVBQESA-N 1 1 182.267 1.257 10 30 ADEEMO C[N@@H+](CC(C)(C)C#N)[C@H]1CCOC1 307532197 352020861 /nfs/dbraw/zinc/02/08/61/352020861.db2.gz YSHHULWCKRWITI-VIFPVBQESA-N 1 1 182.267 1.257 10 30 ADEEMO C=C(C)CC[N@@H+]1CCOC[C@@H]1C 307537783 352021203 /nfs/dbraw/zinc/02/12/03/352021203.db2.gz JOUFEIUFMRQBEH-JTQLQIEISA-N 1 1 169.268 1.673 10 30 ADEEMO C=C(C)C[N@H+]1CCOCC12CC2 307608274 352025572 /nfs/dbraw/zinc/02/55/72/352025572.db2.gz GGPYAKAULBYMIB-UHFFFAOYSA-N 1 1 167.252 1.427 10 30 ADEEMO C[C@@H]1C[N@@H+](CC2(C#N)CC2)[C@@H]1C 307669156 352030029 /nfs/dbraw/zinc/03/00/29/352030029.db2.gz MMPLPGCWAKTKKS-RKDXNWHRSA-N 1 1 164.252 1.630 10 30 ADEEMO C[C@H]1[C@H](C)C[N@H+]1CC1(C#N)CC1 307669153 352030053 /nfs/dbraw/zinc/03/00/53/352030053.db2.gz MMPLPGCWAKTKKS-BDAKNGLRSA-N 1 1 164.252 1.630 10 30 ADEEMO C[C@H]1C[N@@H+](CC2(C#N)CC2)[C@H]1C 307669155 352030065 /nfs/dbraw/zinc/03/00/65/352030065.db2.gz MMPLPGCWAKTKKS-IUCAKERBSA-N 1 1 164.252 1.630 10 30 ADEEMO C[C@H]1C[N@@H+](CC2(C#N)CC2)[C@@H]1C 307669154 352030113 /nfs/dbraw/zinc/03/01/13/352030113.db2.gz MMPLPGCWAKTKKS-DTWKUNHWSA-N 1 1 164.252 1.630 10 30 ADEEMO C=C(C)C[N@H+](C)[C@H]1CC[C@H](O)CC1 307693776 352032637 /nfs/dbraw/zinc/03/26/37/352032637.db2.gz UZZKIACENOZYCI-XYPYZODXSA-N 1 1 183.295 1.798 10 30 ADEEMO CC#CC[N@H+]1CCOCC2(CC2)C1 307705145 352034119 /nfs/dbraw/zinc/03/41/19/352034119.db2.gz XXOVOFKOUSADPS-UHFFFAOYSA-N 1 1 179.263 1.122 10 30 ADEEMO C=CCC[N@H+]1C[C@H](O)C(C)(C)C1 307713274 352034470 /nfs/dbraw/zinc/03/44/70/352034470.db2.gz ARLDKFOZWXUFML-VIFPVBQESA-N 1 1 169.268 1.265 10 30 ADEEMO C=CCC[N@H+]1C[C@@H](O)C(C)(C)C1 307713273 352034734 /nfs/dbraw/zinc/03/47/34/352034734.db2.gz ARLDKFOZWXUFML-SECBINFHSA-N 1 1 169.268 1.265 10 30 ADEEMO C=CCC[N@@H+]1CC[C@@H](O)C[C@H]1C 307747228 352037457 /nfs/dbraw/zinc/03/74/57/352037457.db2.gz XYSGKDFHJPECBE-NXEZZACHSA-N 1 1 169.268 1.408 10 30 ADEEMO CC1=C[C@@H](C)C[N@H+](CCC#N)C1 307747078 352037469 /nfs/dbraw/zinc/03/74/69/352037469.db2.gz XLFARTZQHWQOHW-SECBINFHSA-N 1 1 164.252 1.798 10 30 ADEEMO CC1=C[C@@H](C)C[N@@H+](CCC#N)C1 307747078 352037472 /nfs/dbraw/zinc/03/74/72/352037472.db2.gz XLFARTZQHWQOHW-SECBINFHSA-N 1 1 164.252 1.798 10 30 ADEEMO CC1=C[C@H](C)C[N@H+](CCC#N)C1 307747079 352037606 /nfs/dbraw/zinc/03/76/06/352037606.db2.gz XLFARTZQHWQOHW-VIFPVBQESA-N 1 1 164.252 1.798 10 30 ADEEMO CC1=C[C@H](C)C[N@@H+](CCC#N)C1 307747079 352037608 /nfs/dbraw/zinc/03/76/08/352037608.db2.gz XLFARTZQHWQOHW-VIFPVBQESA-N 1 1 164.252 1.798 10 30 ADEEMO C=C(C)C[N@H+]1CC[C@H](C)[C@@H](OC)C1 334148874 352056422 /nfs/dbraw/zinc/05/64/22/352056422.db2.gz ZNDOJTPTMFDJLU-QWRGUYRKSA-N 1 1 183.295 1.919 10 30 ADEEMO CC#CC[N@H+]1CC[C@H](C)[C@@H](OC)C1 334146483 352056712 /nfs/dbraw/zinc/05/67/12/352056712.db2.gz QCCYUNMAHYHOGH-QWRGUYRKSA-N 1 1 181.279 1.367 10 30 ADEEMO CC#CC[N@H+]1CC[C@@H](C)[C@@H](OC)C1 334146481 352056733 /nfs/dbraw/zinc/05/67/33/352056733.db2.gz QCCYUNMAHYHOGH-MNOVXSKESA-N 1 1 181.279 1.367 10 30 ADEEMO C=C(C)C[N@H+]1CC[C@@H](C)[C@H](OC)C1 334148872 352057021 /nfs/dbraw/zinc/05/70/21/352057021.db2.gz ZNDOJTPTMFDJLU-GHMZBOCLSA-N 1 1 183.295 1.919 10 30 ADEEMO CC#CC[N@H+]1CC[C@@H](C)[C@H](OC)C1 334146479 352057046 /nfs/dbraw/zinc/05/70/46/352057046.db2.gz QCCYUNMAHYHOGH-GHMZBOCLSA-N 1 1 181.279 1.367 10 30 ADEEMO CC#CC[N@H+]1CC[C@H](C)[C@H](OC)C1 334146484 352057054 /nfs/dbraw/zinc/05/70/54/352057054.db2.gz QCCYUNMAHYHOGH-WDEREUQCSA-N 1 1 181.279 1.367 10 30 ADEEMO CC#CCC[N@H+]1C[C@H](C)O[C@H](C)C1 334148339 352057080 /nfs/dbraw/zinc/05/70/80/352057080.db2.gz AKWPCSMAXXEPKG-PHIMTYICSA-N 1 1 181.279 1.509 10 30 ADEEMO C=C(C)C[N@H+]1CC[C@H](C)[C@H](OC)C1 334148875 352057131 /nfs/dbraw/zinc/05/71/31/352057131.db2.gz ZNDOJTPTMFDJLU-WDEREUQCSA-N 1 1 183.295 1.919 10 30 ADEEMO C=CC[N@@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 334188772 352057843 /nfs/dbraw/zinc/05/78/43/352057843.db2.gz IOFSHVTYPKFLCL-MNOVXSKESA-N 1 1 197.322 1.901 10 30 ADEEMO C=CC[N@@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 334188774 352057851 /nfs/dbraw/zinc/05/78/51/352057851.db2.gz IOFSHVTYPKFLCL-QWRGUYRKSA-N 1 1 197.322 1.901 10 30 ADEEMO C=CC[N@@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 334188775 352057897 /nfs/dbraw/zinc/05/78/97/352057897.db2.gz IOFSHVTYPKFLCL-WDEREUQCSA-N 1 1 197.322 1.901 10 30 ADEEMO C=CC[N@@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 334188769 352058055 /nfs/dbraw/zinc/05/80/55/352058055.db2.gz IOFSHVTYPKFLCL-GHMZBOCLSA-N 1 1 197.322 1.901 10 30 ADEEMO C=C(C)CN1CC[NH+](C2CC2)CC1 334257068 352060580 /nfs/dbraw/zinc/06/05/80/352060580.db2.gz PXMFXHYWYAJTSR-UHFFFAOYSA-N 1 1 180.295 1.343 10 30 ADEEMO C=C(C)CN(C)C(=O)[C@H]1CCC[N@H+]1C 334281635 352061775 /nfs/dbraw/zinc/06/17/75/352061775.db2.gz HMYGEGGUHCSJNG-SNVBAGLBSA-N 1 1 196.294 1.115 10 30 ADEEMO C=C(C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C 334281633 352062181 /nfs/dbraw/zinc/06/21/81/352062181.db2.gz HMYGEGGUHCSJNG-JTQLQIEISA-N 1 1 196.294 1.115 10 30 ADEEMO C=C(C)CC[N@H+]1CCCNC(=O)[C@@H]1C 334267479 352062188 /nfs/dbraw/zinc/06/21/88/352062188.db2.gz OVPIAGAKWDXLBZ-JTQLQIEISA-N 1 1 196.294 1.163 10 30 ADEEMO CC#CC[N@H+]1CCCO[C@@H](C)C1 334305011 352063062 /nfs/dbraw/zinc/06/30/62/352063062.db2.gz DTCRMJXKLZELLX-JTQLQIEISA-N 1 1 167.252 1.121 10 30 ADEEMO CC#CC[N@H+]1CCCO[C@H](C)C1 334305012 352063142 /nfs/dbraw/zinc/06/31/42/352063142.db2.gz DTCRMJXKLZELLX-SNVBAGLBSA-N 1 1 167.252 1.121 10 30 ADEEMO CC#CCN1CCC[N@H+](C(C)C)CC1 334361488 352065979 /nfs/dbraw/zinc/06/59/79/352065979.db2.gz BUTGOTVWYDHROX-UHFFFAOYSA-N 1 1 194.322 1.426 10 30 ADEEMO C=C(C)C[N@H+](C)[C@H]1CCN(C)[C@H](C)C1 334361167 352066081 /nfs/dbraw/zinc/06/60/81/352066081.db2.gz BPXBNIFNIRBIQE-NEPJUHHUSA-N 1 1 196.338 1.977 10 30 ADEEMO C=C(C)C[N@H+](C)[C@H]1CCN(C)[C@@H](C)C1 334361172 352066092 /nfs/dbraw/zinc/06/60/92/352066092.db2.gz BPXBNIFNIRBIQE-RYUDHWBXSA-N 1 1 196.338 1.977 10 30 ADEEMO C=C(C)C[N@H+](C)[C@@H]1CCN(C)[C@H](C)C1 334361176 352066104 /nfs/dbraw/zinc/06/61/04/352066104.db2.gz BPXBNIFNIRBIQE-VXGBXAGGSA-N 1 1 196.338 1.977 10 30 ADEEMO C=C(C)C[N@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 334361169 352066341 /nfs/dbraw/zinc/06/63/41/352066341.db2.gz BPXBNIFNIRBIQE-NWDGAFQWSA-N 1 1 196.338 1.977 10 30 ADEEMO C=CC[N@@H+]1CCO[C@@]2(CCCOC2)C1 334406141 352067861 /nfs/dbraw/zinc/06/78/61/352067861.db2.gz QLPVOUCGYLVFBP-NSHDSACASA-N 1 1 197.278 1.054 10 30 ADEEMO C=CC[N@H+]1CCO[C@@]2(CCCOC2)C1 334406141 352067864 /nfs/dbraw/zinc/06/78/64/352067864.db2.gz QLPVOUCGYLVFBP-NSHDSACASA-N 1 1 197.278 1.054 10 30 ADEEMO C=CC[N@@H+]1CCO[C@]2(CCCOC2)C1 334406139 352068511 /nfs/dbraw/zinc/06/85/11/352068511.db2.gz QLPVOUCGYLVFBP-LLVKDONJSA-N 1 1 197.278 1.054 10 30 ADEEMO C=CC[N@H+]1CCO[C@]2(CCCOC2)C1 334406139 352068516 /nfs/dbraw/zinc/06/85/16/352068516.db2.gz QLPVOUCGYLVFBP-LLVKDONJSA-N 1 1 197.278 1.054 10 30 ADEEMO C=C(CC)CN1C[C@H](C)[N@H+](C)[C@H](C)C1 334421658 352068891 /nfs/dbraw/zinc/06/88/91/352068891.db2.gz DDMRXESLZRTEGE-TXEJJXNPSA-N 1 1 196.338 1.977 10 30 ADEEMO C=C(C)CC[N@H+]1CC(=O)N(C)[C@H](C)C1 334423038 352068868 /nfs/dbraw/zinc/06/88/68/352068868.db2.gz FDDSUQZBDSVQIC-SNVBAGLBSA-N 1 1 196.294 1.115 10 30 ADEEMO C=C(CC)C[N@H+]1C[C@H](C)N(C)[C@H](C)C1 334421658 352068889 /nfs/dbraw/zinc/06/88/89/352068889.db2.gz DDMRXESLZRTEGE-TXEJJXNPSA-N 1 1 196.338 1.977 10 30 ADEEMO C=C(CC)CN1C[C@H](C)[N@@H+](C)[C@H](C)C1 334421658 352068896 /nfs/dbraw/zinc/06/88/96/352068896.db2.gz DDMRXESLZRTEGE-TXEJJXNPSA-N 1 1 196.338 1.977 10 30 ADEEMO C=C(C)CC[N@@H+]1C[C@H]2COC[C@@H](C1)O2 334416848 352069132 /nfs/dbraw/zinc/06/91/32/352069132.db2.gz XTDNEYUIPXCXFF-PHIMTYICSA-N 1 1 197.278 1.052 10 30 ADEEMO C=C(C)CC[N@H+]1CC(=O)N(C)[C@@H](C)C1 334423035 352069145 /nfs/dbraw/zinc/06/91/45/352069145.db2.gz FDDSUQZBDSVQIC-JTQLQIEISA-N 1 1 196.294 1.115 10 30 ADEEMO CC#CC[N@@H+]1CCC[C@H]1CC 336332924 352136787 /nfs/dbraw/zinc/13/67/87/352136787.db2.gz AOOBJXKSTJUWKN-SNVBAGLBSA-N 1 1 151.253 1.884 10 30 ADEEMO C[C@H]1C[C@@H](N(C)CCC#N)CC[N@H+]1C 334461295 352071733 /nfs/dbraw/zinc/07/17/33/352071733.db2.gz VTZHOTNHKYNJDQ-QWRGUYRKSA-N 1 1 195.310 1.315 10 30 ADEEMO C[C@H]1C[C@H](N(C)CCC#N)CC[N@H+]1C 334461296 352071747 /nfs/dbraw/zinc/07/17/47/352071747.db2.gz VTZHOTNHKYNJDQ-WDEREUQCSA-N 1 1 195.310 1.315 10 30 ADEEMO C[C@@H]1C[C@H](N(C)CCC#N)CC[N@H+]1C 334461293 352071816 /nfs/dbraw/zinc/07/18/16/352071816.db2.gz VTZHOTNHKYNJDQ-GHMZBOCLSA-N 1 1 195.310 1.315 10 30 ADEEMO C[C@@H]1C[C@@H](N(C)CCC#N)CC[N@H+]1C 334461294 352071876 /nfs/dbraw/zinc/07/18/76/352071876.db2.gz VTZHOTNHKYNJDQ-MNOVXSKESA-N 1 1 195.310 1.315 10 30 ADEEMO CC1=C(C)C[N@H+](CCC#N)CC1 334491398 352072589 /nfs/dbraw/zinc/07/25/89/352072589.db2.gz ARTNGDQBQFDCET-UHFFFAOYSA-N 1 1 164.252 1.942 10 30 ADEEMO CC1=C(C)C[N@@H+](CCC#N)CC1 334491398 352072598 /nfs/dbraw/zinc/07/25/98/352072598.db2.gz ARTNGDQBQFDCET-UHFFFAOYSA-N 1 1 164.252 1.942 10 30 ADEEMO C=C1CC[NH+](Cc2cnccn2)CC1 334552958 352074989 /nfs/dbraw/zinc/07/49/89/352074989.db2.gz ABUGXAQLVJUAGV-UHFFFAOYSA-N 1 1 189.262 1.629 10 30 ADEEMO C=C(CC)C[N@H+]1C[C@@H]2CCN(C)[C@@H]2C1 334627068 352077235 /nfs/dbraw/zinc/07/72/35/352077235.db2.gz HGSHWWJDXVWKSX-NWDGAFQWSA-N 1 1 194.322 1.589 10 30 ADEEMO C=C(CC)CN1C[C@@H]2CC[N@H+](C)[C@@H]2C1 334627068 352077237 /nfs/dbraw/zinc/07/72/37/352077237.db2.gz HGSHWWJDXVWKSX-NWDGAFQWSA-N 1 1 194.322 1.589 10 30 ADEEMO C=C(CC)CN1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 334627068 352077239 /nfs/dbraw/zinc/07/72/39/352077239.db2.gz HGSHWWJDXVWKSX-NWDGAFQWSA-N 1 1 194.322 1.589 10 30 ADEEMO CC#CC[N@H+]1CCSC[C@H]1C1CC1 334626347 352077429 /nfs/dbraw/zinc/07/74/29/352077429.db2.gz IELPWPVONUOQPI-NSHDSACASA-N 1 1 195.331 1.837 10 30 ADEEMO CC#CC[N@H+]1CCSC[C@@H]1C1CC1 334626346 352077652 /nfs/dbraw/zinc/07/76/52/352077652.db2.gz IELPWPVONUOQPI-LLVKDONJSA-N 1 1 195.331 1.837 10 30 ADEEMO C=C(C)C[N@@H+]1CC[C@@H](OC)[C@@H](C)C1 334687575 352078689 /nfs/dbraw/zinc/07/86/89/352078689.db2.gz BBPCYVXVKWFJNF-WDEREUQCSA-N 1 1 183.295 1.919 10 30 ADEEMO C=C(C)C[N@@H+]1CC[C@@H](OC)[C@H](C)C1 334687570 352078752 /nfs/dbraw/zinc/07/87/52/352078752.db2.gz BBPCYVXVKWFJNF-GHMZBOCLSA-N 1 1 183.295 1.919 10 30 ADEEMO C=C(C)C[N@@H+]1CC[C@H](OC)[C@@H](C)C1 334687573 352078806 /nfs/dbraw/zinc/07/88/06/352078806.db2.gz BBPCYVXVKWFJNF-QWRGUYRKSA-N 1 1 183.295 1.919 10 30 ADEEMO C=C(C)C[N@@H+]1CC[C@H](OC)[C@H](C)C1 334687572 352079223 /nfs/dbraw/zinc/07/92/23/352079223.db2.gz BBPCYVXVKWFJNF-MNOVXSKESA-N 1 1 183.295 1.919 10 30 ADEEMO C[C@@H]1COC[C@@H](C)[NH+]1CCCC#N 334783069 352082047 /nfs/dbraw/zinc/08/20/47/352082047.db2.gz ROGWVDZSDRGPCD-NXEZZACHSA-N 1 1 182.267 1.399 10 30 ADEEMO C=CC[N@H+]1C[C@@H]2C[C@H]1CS2 334787568 352082078 /nfs/dbraw/zinc/08/20/78/352082078.db2.gz SJRUEGZTSAWNAI-YUMQZZPRSA-N 1 1 155.266 1.362 10 30 ADEEMO C[C@H]1COC[C@@H](C)[N@@H+]1CCCC#N 334783067 352082160 /nfs/dbraw/zinc/08/21/60/352082160.db2.gz ROGWVDZSDRGPCD-AOOOYVTPSA-N 1 1 182.267 1.399 10 30 ADEEMO C[C@H]1COC[C@@H](C)[N@H+]1CCCC#N 334783067 352082164 /nfs/dbraw/zinc/08/21/64/352082164.db2.gz ROGWVDZSDRGPCD-AOOOYVTPSA-N 1 1 182.267 1.399 10 30 ADEEMO C=CC[N@@H+]1CCCC[C@@H]1C1(O)CC1 334791037 352082339 /nfs/dbraw/zinc/08/23/39/352082339.db2.gz DSNUCMWTAAYIPO-SNVBAGLBSA-N 1 1 181.279 1.552 10 30 ADEEMO C[C@H]1COC[C@H](C)[NH+]1CCCC#N 334783070 352082467 /nfs/dbraw/zinc/08/24/67/352082467.db2.gz ROGWVDZSDRGPCD-UWVGGRQHSA-N 1 1 182.267 1.399 10 30 ADEEMO C=CC[N@@H+]1CCCC[C@H]1C1(O)CC1 334791036 352082477 /nfs/dbraw/zinc/08/24/77/352082477.db2.gz DSNUCMWTAAYIPO-JTQLQIEISA-N 1 1 181.279 1.552 10 30 ADEEMO C=CC[N@H+]1CC2(CCC2)[C@@H]2COC[C@H]21 334797905 352083033 /nfs/dbraw/zinc/08/30/33/352083033.db2.gz YHBMJNAMXISRFR-GHMZBOCLSA-N 1 1 193.290 1.673 10 30 ADEEMO C=CC[N@H+]1CC2(CCC2)[C@H]2COC[C@@H]21 334797907 352083203 /nfs/dbraw/zinc/08/32/03/352083203.db2.gz YHBMJNAMXISRFR-QWRGUYRKSA-N 1 1 193.290 1.673 10 30 ADEEMO C=CC[N@H+]1CC2(CCC2)[C@H]2COC[C@H]21 334797908 352083338 /nfs/dbraw/zinc/08/33/38/352083338.db2.gz YHBMJNAMXISRFR-WDEREUQCSA-N 1 1 193.290 1.673 10 30 ADEEMO C=CC[N@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 334797906 352083351 /nfs/dbraw/zinc/08/33/51/352083351.db2.gz YHBMJNAMXISRFR-MNOVXSKESA-N 1 1 193.290 1.673 10 30 ADEEMO C[C@H]1CCC(C)(C)[N@H+]1CC#N 334863981 352084356 /nfs/dbraw/zinc/08/43/56/352084356.db2.gz DOJFCQUQBOJKAP-QMMMGPOBSA-N 1 1 152.241 1.773 10 30 ADEEMO N#CCC[N@@H+]1CCC[C@@]2(CCOC2)C1 334873084 352084206 /nfs/dbraw/zinc/08/42/06/352084206.db2.gz GMNOGKVTIZLKPJ-LLVKDONJSA-N 1 1 194.278 1.403 10 30 ADEEMO N#CCC[N@H+]1CCC[C@@]2(CCOC2)C1 334873084 352084209 /nfs/dbraw/zinc/08/42/09/352084209.db2.gz GMNOGKVTIZLKPJ-LLVKDONJSA-N 1 1 194.278 1.403 10 30 ADEEMO N#CCC[N@@H+]1CCC[C@]2(CCOC2)C1 334873086 352084220 /nfs/dbraw/zinc/08/42/20/352084220.db2.gz GMNOGKVTIZLKPJ-NSHDSACASA-N 1 1 194.278 1.403 10 30 ADEEMO N#CCC[N@H+]1CCC[C@]2(CCOC2)C1 334873086 352084221 /nfs/dbraw/zinc/08/42/21/352084221.db2.gz GMNOGKVTIZLKPJ-NSHDSACASA-N 1 1 194.278 1.403 10 30 ADEEMO C[C@H]1CCC(C)(C)[N@@H+]1CC#N 334863981 352084352 /nfs/dbraw/zinc/08/43/52/352084352.db2.gz DOJFCQUQBOJKAP-QMMMGPOBSA-N 1 1 152.241 1.773 10 30 ADEEMO C=CC[N@H+]1CCC[C@@]2(CCOC2)C1 334873849 352084528 /nfs/dbraw/zinc/08/45/28/352084528.db2.gz JYAJUNKRHJPFIF-LLVKDONJSA-N 1 1 181.279 1.675 10 30 ADEEMO C[C@@H]1CCC(C)(C)[N@@H+]1CC#N 334863980 352084614 /nfs/dbraw/zinc/08/46/14/352084614.db2.gz DOJFCQUQBOJKAP-MRVPVSSYSA-N 1 1 152.241 1.773 10 30 ADEEMO C[C@@H]1CCC(C)(C)[N@H+]1CC#N 334863980 352084617 /nfs/dbraw/zinc/08/46/17/352084617.db2.gz DOJFCQUQBOJKAP-MRVPVSSYSA-N 1 1 152.241 1.773 10 30 ADEEMO C=CCCN1CC[NH2+]C[C@@](C)(F)C1 334972795 352086372 /nfs/dbraw/zinc/08/63/72/352086372.db2.gz GXOKQXQSEKPKGE-SNVBAGLBSA-N 1 1 186.274 1.196 10 30 ADEEMO C=C1CC[NH+](Cc2ccnn2C)CC1 334946995 352086414 /nfs/dbraw/zinc/08/64/14/352086414.db2.gz DBPLLTWMVCWFII-UHFFFAOYSA-N 1 1 191.278 1.572 10 30 ADEEMO C=CCCN1CC[NH2+]C[C@](C)(F)C1 334972792 352086631 /nfs/dbraw/zinc/08/66/31/352086631.db2.gz GXOKQXQSEKPKGE-JTQLQIEISA-N 1 1 186.274 1.196 10 30 ADEEMO C=C(C)CC[N@H+]1CC(=O)NCC1(C)C 334947327 352086661 /nfs/dbraw/zinc/08/66/61/352086661.db2.gz ZGALIXQGGYGBSL-UHFFFAOYSA-N 1 1 196.294 1.163 10 30 ADEEMO C=CCC[N@@H+]1CC[C@@H](O)CC12CCC2 334985985 352086913 /nfs/dbraw/zinc/08/69/13/352086913.db2.gz JHETYBUYADPZKN-LLVKDONJSA-N 1 1 195.306 1.942 10 30 ADEEMO C=CCC[N@@H+]1CC[C@H](O)CC12CCC2 334985986 352087064 /nfs/dbraw/zinc/08/70/64/352087064.db2.gz JHETYBUYADPZKN-NSHDSACASA-N 1 1 195.306 1.942 10 30 ADEEMO C=CCN1CCC[C@]2(CC[NH2+]C2)C1 334994029 352087092 /nfs/dbraw/zinc/08/70/92/352087092.db2.gz SBWJSDQBYQKIAN-LLVKDONJSA-N 1 1 180.295 1.248 10 30 ADEEMO CC#CC[N@H+]1CC[C@@H](O)CC12CCC2 334988318 352087159 /nfs/dbraw/zinc/08/71/59/352087159.db2.gz RWASCYDJKJJKOU-LLVKDONJSA-N 1 1 193.290 1.389 10 30 ADEEMO C=CCC[N@H+]1C[C@@H]2CCC[C@H](C1)N2 334988983 352087191 /nfs/dbraw/zinc/08/71/91/352087191.db2.gz DSIWKSAEBRMDTJ-PHIMTYICSA-N 1 1 180.295 1.389 10 30 ADEEMO C=CCCN1C[C@@H]2CCC[C@H](C1)[NH2+]2 334988983 352087192 /nfs/dbraw/zinc/08/71/92/352087192.db2.gz DSIWKSAEBRMDTJ-PHIMTYICSA-N 1 1 180.295 1.389 10 30 ADEEMO CC#CC[N@H+]1CC[C@H](O)CC12CCC2 334988319 352087218 /nfs/dbraw/zinc/08/72/18/352087218.db2.gz RWASCYDJKJJKOU-NSHDSACASA-N 1 1 193.290 1.389 10 30 ADEEMO C=CCC[N@H+]1CCO[C@@]2(CCOC2)C1 335059105 352088303 /nfs/dbraw/zinc/08/83/03/352088303.db2.gz KPWSCCZHLKWPKP-NSHDSACASA-N 1 1 197.278 1.054 10 30 ADEEMO C=CCC[N@H+]1CCO[C@]2(CCOC2)C1 335059104 352088482 /nfs/dbraw/zinc/08/84/82/352088482.db2.gz KPWSCCZHLKWPKP-LLVKDONJSA-N 1 1 197.278 1.054 10 30 ADEEMO CC#CC[N@@H+]1CCC[C@H]1c1cc[nH]n1 335078410 352088529 /nfs/dbraw/zinc/08/85/29/352088529.db2.gz CPNLVIGKTUYBBH-NSHDSACASA-N 1 1 189.262 1.570 10 30 ADEEMO CC#CC[N@H+]1CCC[C@H]1c1cc[nH]n1 335078410 352088531 /nfs/dbraw/zinc/08/85/31/352088531.db2.gz CPNLVIGKTUYBBH-NSHDSACASA-N 1 1 189.262 1.570 10 30 ADEEMO CC#CC[N@@H+]1CCC[C@@H]1c1cc[nH]n1 335078409 352088635 /nfs/dbraw/zinc/08/86/35/352088635.db2.gz CPNLVIGKTUYBBH-LLVKDONJSA-N 1 1 189.262 1.570 10 30 ADEEMO CC#CC[N@H+]1CCC[C@@H]1c1cc[nH]n1 335078409 352088636 /nfs/dbraw/zinc/08/86/36/352088636.db2.gz CPNLVIGKTUYBBH-LLVKDONJSA-N 1 1 189.262 1.570 10 30 ADEEMO C=C(C)C[N@H+]1CC[C@@H](c2nnc[nH]2)C1 335109549 352089457 /nfs/dbraw/zinc/08/94/57/352089457.db2.gz KMFFTLDAFLECJE-SECBINFHSA-N 1 1 192.266 1.170 10 30 ADEEMO C=C(C)C[N@H+]1CC[C@H](c2nnc[nH]2)C1 335109550 352089505 /nfs/dbraw/zinc/08/95/05/352089505.db2.gz KMFFTLDAFLECJE-VIFPVBQESA-N 1 1 192.266 1.170 10 30 ADEEMO C=CC[N@@H+]1CCC[C@@H](CO)[C@@H]1C 335174751 352089971 /nfs/dbraw/zinc/08/99/71/352089971.db2.gz DLMPBCXOSDSQBQ-UWVGGRQHSA-N 1 1 169.268 1.265 10 30 ADEEMO C=CC[N@@H+]1CCC[C@@H](CO)[C@H]1C 335174753 352090088 /nfs/dbraw/zinc/09/00/88/352090088.db2.gz DLMPBCXOSDSQBQ-ZJUUUORDSA-N 1 1 169.268 1.265 10 30 ADEEMO C=CC[N@@H+]1CCC[C@H](CO)[C@H]1C 335174750 352090183 /nfs/dbraw/zinc/09/01/83/352090183.db2.gz DLMPBCXOSDSQBQ-NXEZZACHSA-N 1 1 169.268 1.265 10 30 ADEEMO C=CC[N@@H+]1CCC[C@H](CO)[C@@H]1C 335174752 352090578 /nfs/dbraw/zinc/09/05/78/352090578.db2.gz DLMPBCXOSDSQBQ-VHSXEESVSA-N 1 1 169.268 1.265 10 30 ADEEMO N#CCC[N@H+]1CCC[C@@H]2COCC[C@H]21 335307514 352094109 /nfs/dbraw/zinc/09/41/09/352094109.db2.gz WEFXLYPHXSFSGQ-GHMZBOCLSA-N 1 1 194.278 1.401 10 30 ADEEMO CC#CC[N@H+]1CCCC[C@]1(C)C(N)=O 335322331 352094162 /nfs/dbraw/zinc/09/41/62/352094162.db2.gz OELDMRQYZHYKHN-LLVKDONJSA-N 1 1 194.278 1.790 10 30 ADEEMO N#CCC[N@H+]1CCC[C@H]2COCC[C@H]21 335307517 352094272 /nfs/dbraw/zinc/09/42/72/352094272.db2.gz WEFXLYPHXSFSGQ-WDEREUQCSA-N 1 1 194.278 1.401 10 30 ADEEMO N#CCC[N@H+]1CCC[C@@H]2COCC[C@@H]21 335307515 352094367 /nfs/dbraw/zinc/09/43/67/352094367.db2.gz WEFXLYPHXSFSGQ-MNOVXSKESA-N 1 1 194.278 1.401 10 30 ADEEMO N#CCC[N@H+]1CCC[C@H]2COCC[C@@H]21 335307516 352094534 /nfs/dbraw/zinc/09/45/34/352094534.db2.gz WEFXLYPHXSFSGQ-QWRGUYRKSA-N 1 1 194.278 1.401 10 30 ADEEMO CC#CC[N@H+]1CCCC[C@@]1(C)C(N)=O 335322332 352095224 /nfs/dbraw/zinc/09/52/24/352095224.db2.gz OELDMRQYZHYKHN-NSHDSACASA-N 1 1 194.278 1.790 10 30 ADEEMO C=CC[N@@H+]1CCO[C@@]2(CCSC2)C1 335411431 352097230 /nfs/dbraw/zinc/09/72/30/352097230.db2.gz ZGYCAFSVQJFAHH-JTQLQIEISA-N 1 1 199.319 1.380 10 30 ADEEMO C=CC[N@H+]1CCO[C@@]2(CCSC2)C1 335411431 352097231 /nfs/dbraw/zinc/09/72/31/352097231.db2.gz ZGYCAFSVQJFAHH-JTQLQIEISA-N 1 1 199.319 1.380 10 30 ADEEMO CC#CC[N@H+]1CC[C@@H]2OCC[C@@H]2C1 335420900 352097245 /nfs/dbraw/zinc/09/72/45/352097245.db2.gz CUDNYFOCTGLVSR-MNOVXSKESA-N 1 1 179.263 1.121 10 30 ADEEMO C=CC[N@@H+]1CCO[C@]2(CCSC2)C1 335411434 352097307 /nfs/dbraw/zinc/09/73/07/352097307.db2.gz ZGYCAFSVQJFAHH-SNVBAGLBSA-N 1 1 199.319 1.380 10 30 ADEEMO C=CC[N@H+]1CCO[C@]2(CCSC2)C1 335411434 352097308 /nfs/dbraw/zinc/09/73/08/352097308.db2.gz ZGYCAFSVQJFAHH-SNVBAGLBSA-N 1 1 199.319 1.380 10 30 ADEEMO C=CC[N@H+]1CCOC[C@@H]1C1CCC1 335447141 352098162 /nfs/dbraw/zinc/09/81/62/352098162.db2.gz MJOZLAWTCPKDHY-LLVKDONJSA-N 1 1 181.279 1.673 10 30 ADEEMO C=CC[N@H+]1CCOC[C@H]1C1CCC1 335447142 352098235 /nfs/dbraw/zinc/09/82/35/352098235.db2.gz MJOZLAWTCPKDHY-NSHDSACASA-N 1 1 181.279 1.673 10 30 ADEEMO CC#CC[N@H+]1CCOC[C@@H]1C1CCC1 335448127 352098252 /nfs/dbraw/zinc/09/82/52/352098252.db2.gz UGQRNNRHLDOFHY-GFCCVEGCSA-N 1 1 193.290 1.511 10 30 ADEEMO C=CC[N@@H+]1C[C@@H](C)OC2(CCC2)C1 335460661 352099090 /nfs/dbraw/zinc/09/90/90/352099090.db2.gz AYHAPKCZFXPLBE-SNVBAGLBSA-N 1 1 181.279 1.816 10 30 ADEEMO CC#CC[N@H+]1CCOC[C@H]1C1CCC1 335448128 352099135 /nfs/dbraw/zinc/09/91/35/352099135.db2.gz UGQRNNRHLDOFHY-LBPRGKRZSA-N 1 1 193.290 1.511 10 30 ADEEMO C=CC[N@@H+]1C[C@H](C)OC2(CCC2)C1 335460660 352099164 /nfs/dbraw/zinc/09/91/64/352099164.db2.gz AYHAPKCZFXPLBE-JTQLQIEISA-N 1 1 181.279 1.816 10 30 ADEEMO CC#CC[N@H+]1CCCO[C@H](CC)C1 335489687 352100362 /nfs/dbraw/zinc/10/03/62/352100362.db2.gz ANHWERMJHNPMLK-LLVKDONJSA-N 1 1 181.279 1.511 10 30 ADEEMO CC#CCC[N@H+]1CCOC[C@@H]1C 335493983 352100385 /nfs/dbraw/zinc/10/03/85/352100385.db2.gz CHMWQOUKBZJGCY-JTQLQIEISA-N 1 1 167.252 1.121 10 30 ADEEMO CC#CC[N@H+]1CCCO[C@@H](CC)C1 335489688 352100437 /nfs/dbraw/zinc/10/04/37/352100437.db2.gz ANHWERMJHNPMLK-NSHDSACASA-N 1 1 181.279 1.511 10 30 ADEEMO N#CCCC[N@H+]1C[C@H]2CCC[C@@H]21 335529128 352101721 /nfs/dbraw/zinc/10/17/21/352101721.db2.gz DELJWXQEWYRJMN-ZJUUUORDSA-N 1 1 164.252 1.774 10 30 ADEEMO N#CCCC[N@H+]1C[C@H]2CCC[C@H]21 335529125 352102137 /nfs/dbraw/zinc/10/21/37/352102137.db2.gz DELJWXQEWYRJMN-NXEZZACHSA-N 1 1 164.252 1.774 10 30 ADEEMO N#CCCC[N@H+]1C[C@@H]2CCC[C@@H]21 335529126 352102192 /nfs/dbraw/zinc/10/21/92/352102192.db2.gz DELJWXQEWYRJMN-UWVGGRQHSA-N 1 1 164.252 1.774 10 30 ADEEMO N#CCCC[N@H+]1C[C@@H]2CCC[C@H]21 335529127 352102268 /nfs/dbraw/zinc/10/22/68/352102268.db2.gz DELJWXQEWYRJMN-VHSXEESVSA-N 1 1 164.252 1.774 10 30 ADEEMO CC#CC[N@H+]1CCC12CCC2 335555904 352103507 /nfs/dbraw/zinc/10/35/07/352103507.db2.gz WDLYKWQEACJTJB-UHFFFAOYSA-N 1 1 149.237 1.638 10 30 ADEEMO N#CCC[N@@H+]1CCC12CCC2 335555878 352103616 /nfs/dbraw/zinc/10/36/16/352103616.db2.gz QWAYZJZURGGWFU-UHFFFAOYSA-N 1 1 150.225 1.528 10 30 ADEEMO N#CCC[N@H+]1CCC12CCC2 335555878 352103618 /nfs/dbraw/zinc/10/36/18/352103618.db2.gz QWAYZJZURGGWFU-UHFFFAOYSA-N 1 1 150.225 1.528 10 30 ADEEMO C=C(C)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 335571654 352104027 /nfs/dbraw/zinc/10/40/27/352104027.db2.gz ULTMFOMDRPTZLO-LBPRGKRZSA-N 1 1 194.322 1.590 10 30 ADEEMO C=C(C)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 335571654 352104029 /nfs/dbraw/zinc/10/40/29/352104029.db2.gz ULTMFOMDRPTZLO-LBPRGKRZSA-N 1 1 194.322 1.590 10 30 ADEEMO C=C(C)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 335571654 352104030 /nfs/dbraw/zinc/10/40/30/352104030.db2.gz ULTMFOMDRPTZLO-LBPRGKRZSA-N 1 1 194.322 1.590 10 30 ADEEMO C=C(C)C[N@H+]1CC[C@]2(CCN(C)C2)C1 335571654 352104032 /nfs/dbraw/zinc/10/40/32/352104032.db2.gz ULTMFOMDRPTZLO-LBPRGKRZSA-N 1 1 194.322 1.590 10 30 ADEEMO C=C(C)C[N@@H+]1CC[C@]2(CCN(C)C2)C1 335571654 352104035 /nfs/dbraw/zinc/10/40/35/352104035.db2.gz ULTMFOMDRPTZLO-LBPRGKRZSA-N 1 1 194.322 1.590 10 30 ADEEMO C=C(C)CN1CC[C@]2(CC[N@@H+](C)C2)C1 335571654 352104036 /nfs/dbraw/zinc/10/40/36/352104036.db2.gz ULTMFOMDRPTZLO-LBPRGKRZSA-N 1 1 194.322 1.590 10 30 ADEEMO C=C(C)CN1CC[C@]2(CC[N@H+](C)C2)C1 335571654 352104038 /nfs/dbraw/zinc/10/40/38/352104038.db2.gz ULTMFOMDRPTZLO-LBPRGKRZSA-N 1 1 194.322 1.590 10 30 ADEEMO C=C(C)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 335571653 352104173 /nfs/dbraw/zinc/10/41/73/352104173.db2.gz ULTMFOMDRPTZLO-GFCCVEGCSA-N 1 1 194.322 1.590 10 30 ADEEMO C=C(C)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 335571653 352104175 /nfs/dbraw/zinc/10/41/75/352104175.db2.gz ULTMFOMDRPTZLO-GFCCVEGCSA-N 1 1 194.322 1.590 10 30 ADEEMO C=C(C)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 335571653 352104176 /nfs/dbraw/zinc/10/41/76/352104176.db2.gz ULTMFOMDRPTZLO-GFCCVEGCSA-N 1 1 194.322 1.590 10 30 ADEEMO C=C(C)C[N@H+]1CC[C@@]2(CCN(C)C2)C1 335571653 352104178 /nfs/dbraw/zinc/10/41/78/352104178.db2.gz ULTMFOMDRPTZLO-GFCCVEGCSA-N 1 1 194.322 1.590 10 30 ADEEMO C=C(C)C[N@@H+]1CC[C@@]2(CCN(C)C2)C1 335571653 352104180 /nfs/dbraw/zinc/10/41/80/352104180.db2.gz ULTMFOMDRPTZLO-GFCCVEGCSA-N 1 1 194.322 1.590 10 30 ADEEMO C=C(C)CN1CC[C@@]2(CC[N@@H+](C)C2)C1 335571653 352104182 /nfs/dbraw/zinc/10/41/82/352104182.db2.gz ULTMFOMDRPTZLO-GFCCVEGCSA-N 1 1 194.322 1.590 10 30 ADEEMO C=C(C)CN1CC[C@@]2(CC[N@H+](C)C2)C1 335571653 352104184 /nfs/dbraw/zinc/10/41/84/352104184.db2.gz ULTMFOMDRPTZLO-GFCCVEGCSA-N 1 1 194.322 1.590 10 30 ADEEMO C=CCC[N@H+]1C[C@@H]2C[C@H]1CS2 335583299 352104771 /nfs/dbraw/zinc/10/47/71/352104771.db2.gz CPROKXOIKCQNJK-IUCAKERBSA-N 1 1 169.293 1.752 10 30 ADEEMO CC#CC[N@H+]1C[C@@H]2C[C@H]1CS2 335583667 352104755 /nfs/dbraw/zinc/10/47/55/352104755.db2.gz IUZXLLZDEIYHOV-IUCAKERBSA-N 1 1 167.277 1.199 10 30 ADEEMO N#CCCC[N@H+]1C[C@@H]2C[C@H]1CS2 335583300 352104831 /nfs/dbraw/zinc/10/48/31/352104831.db2.gz CSFZEKQDROFUOP-IUCAKERBSA-N 1 1 182.292 1.480 10 30 ADEEMO N#CC1(C[N@@H+]2C[C@@H]3C[C@H]2CS3)CC1 335584716 352104856 /nfs/dbraw/zinc/10/48/56/352104856.db2.gz YTKOPQSUFXPGEI-IUCAKERBSA-N 1 1 194.303 1.480 10 30 ADEEMO N#CC1(C[N@H+]2C[C@@H]3C[C@H]2CS3)CC1 335584716 352104859 /nfs/dbraw/zinc/10/48/59/352104859.db2.gz YTKOPQSUFXPGEI-IUCAKERBSA-N 1 1 194.303 1.480 10 30 ADEEMO CC#CCC[N@H+]1C[C@@H]2C[C@H]1CS2 335583927 352104980 /nfs/dbraw/zinc/10/49/80/352104980.db2.gz KMCJHAITGPZXSK-UWVGGRQHSA-N 1 1 181.304 1.590 10 30 ADEEMO C=CC[N@@H+]1CC[C@H](O)CC12CCC2 335606799 352106657 /nfs/dbraw/zinc/10/66/57/352106657.db2.gz DANWVDKORYNVJU-JTQLQIEISA-N 1 1 181.279 1.552 10 30 ADEEMO C=CC[N@@H+]1CC[C@@H](O)CC12CCC2 335607413 352107056 /nfs/dbraw/zinc/10/70/56/352107056.db2.gz DANWVDKORYNVJU-SNVBAGLBSA-N 1 1 181.279 1.552 10 30 ADEEMO C=C(C)C[N@H+]1CC[C@@H](O)CC12CCC2 335612306 352107088 /nfs/dbraw/zinc/10/70/88/352107088.db2.gz RFZPZKCINBSOMB-LLVKDONJSA-N 1 1 195.306 1.942 10 30 ADEEMO C=C(C)C[N@@H+]1CC[C@H](OC)C1 335655976 352107468 /nfs/dbraw/zinc/10/74/68/352107468.db2.gz FXNIJNPSNJQVAW-VIFPVBQESA-N 1 1 155.241 1.283 10 30 ADEEMO N#CCC[N@@H+]1C[C@H]2CCC[C@H]21 335655349 352107522 /nfs/dbraw/zinc/10/75/22/352107522.db2.gz ARGXHHXCNFCXSY-RKDXNWHRSA-N 1 1 150.225 1.384 10 30 ADEEMO N#CCC[N@H+]1C[C@H]2CCC[C@H]21 335655349 352107524 /nfs/dbraw/zinc/10/75/24/352107524.db2.gz ARGXHHXCNFCXSY-RKDXNWHRSA-N 1 1 150.225 1.384 10 30 ADEEMO CC#CC[N@@H+]1CC[C@H](CC)C1 335655978 352107560 /nfs/dbraw/zinc/10/75/60/352107560.db2.gz GEDWPINPAOPBKU-JTQLQIEISA-N 1 1 151.253 1.742 10 30 ADEEMO C=C(C)C[N@@H+]1CC[C@@H](OC)C1 335655975 352107564 /nfs/dbraw/zinc/10/75/64/352107564.db2.gz FXNIJNPSNJQVAW-SECBINFHSA-N 1 1 155.241 1.283 10 30 ADEEMO N#CCC[N@@H+]1C[C@H]2CCC[C@@H]21 335655346 352107657 /nfs/dbraw/zinc/10/76/57/352107657.db2.gz ARGXHHXCNFCXSY-BDAKNGLRSA-N 1 1 150.225 1.384 10 30 ADEEMO N#CCC[N@H+]1C[C@H]2CCC[C@@H]21 335655346 352107658 /nfs/dbraw/zinc/10/76/58/352107658.db2.gz ARGXHHXCNFCXSY-BDAKNGLRSA-N 1 1 150.225 1.384 10 30 ADEEMO N#CCC[N@@H+]1C[C@@H]2CCC[C@H]21 335655347 352107686 /nfs/dbraw/zinc/10/76/86/352107686.db2.gz ARGXHHXCNFCXSY-DTWKUNHWSA-N 1 1 150.225 1.384 10 30 ADEEMO N#CCC[N@H+]1C[C@@H]2CCC[C@H]21 335655347 352107688 /nfs/dbraw/zinc/10/76/88/352107688.db2.gz ARGXHHXCNFCXSY-DTWKUNHWSA-N 1 1 150.225 1.384 10 30 ADEEMO N#CCC[N@@H+]1C[C@@H]2CCC[C@@H]21 335655348 352107725 /nfs/dbraw/zinc/10/77/25/352107725.db2.gz ARGXHHXCNFCXSY-IUCAKERBSA-N 1 1 150.225 1.384 10 30 ADEEMO N#CCC[N@H+]1C[C@@H]2CCC[C@@H]21 335655348 352107726 /nfs/dbraw/zinc/10/77/26/352107726.db2.gz ARGXHHXCNFCXSY-IUCAKERBSA-N 1 1 150.225 1.384 10 30 ADEEMO CC#CC[N@@H+]1CC[C@@H](CC)C1 335655979 352107760 /nfs/dbraw/zinc/10/77/60/352107760.db2.gz GEDWPINPAOPBKU-SNVBAGLBSA-N 1 1 151.253 1.742 10 30 ADEEMO CC#CC[N@@H+]1CCO[C@@H](C2CCC2)C1 335662542 352108059 /nfs/dbraw/zinc/10/80/59/352108059.db2.gz GEYJEUOQEJZIRX-GFCCVEGCSA-N 1 1 193.290 1.511 10 30 ADEEMO CC#CC[N@H+]1CCO[C@@H](C2CCC2)C1 335662542 352108063 /nfs/dbraw/zinc/10/80/63/352108063.db2.gz GEYJEUOQEJZIRX-GFCCVEGCSA-N 1 1 193.290 1.511 10 30 ADEEMO CC#CC[N@H+]1CCO[C@H](C2CCC2)C1 335662543 352108482 /nfs/dbraw/zinc/10/84/82/352108482.db2.gz GEYJEUOQEJZIRX-LBPRGKRZSA-N 1 1 193.290 1.511 10 30 ADEEMO CC#CC[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 335687032 352108862 /nfs/dbraw/zinc/10/88/62/352108862.db2.gz CJMRDXAQLDUSJE-PWSUYJOCSA-N 1 1 193.290 1.509 10 30 ADEEMO CC#CC[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 335687032 352108863 /nfs/dbraw/zinc/10/88/63/352108863.db2.gz CJMRDXAQLDUSJE-PWSUYJOCSA-N 1 1 193.290 1.509 10 30 ADEEMO CC#CC[N@@H+]1C[C@H](C)O[C@@H](C2CC2)C1 335687030 352109165 /nfs/dbraw/zinc/10/91/65/352109165.db2.gz CJMRDXAQLDUSJE-CMPLNLGQSA-N 1 1 193.290 1.509 10 30 ADEEMO CC#CC[N@H+]1C[C@H](C)O[C@@H](C2CC2)C1 335687030 352109166 /nfs/dbraw/zinc/10/91/66/352109166.db2.gz CJMRDXAQLDUSJE-CMPLNLGQSA-N 1 1 193.290 1.509 10 30 ADEEMO CC#CC[N@H+]1C[C@H](C2CC2)O[C@H](C)C1 335687033 352109381 /nfs/dbraw/zinc/10/93/81/352109381.db2.gz CJMRDXAQLDUSJE-ZYHUDNBSSA-N 1 1 193.290 1.509 10 30 ADEEMO CC#CC[N@@H+]1C[C@H](C2CC2)O[C@H](C)C1 335687033 352109385 /nfs/dbraw/zinc/10/93/85/352109385.db2.gz CJMRDXAQLDUSJE-ZYHUDNBSSA-N 1 1 193.290 1.509 10 30 ADEEMO CC#CC[N@@H+]1C[C@H](C)O[C@H](C2CC2)C1 335687031 352109393 /nfs/dbraw/zinc/10/93/93/352109393.db2.gz CJMRDXAQLDUSJE-JQWIXIFHSA-N 1 1 193.290 1.509 10 30 ADEEMO CC#CC[N@H+]1C[C@H](C)O[C@H](C2CC2)C1 335687031 352109397 /nfs/dbraw/zinc/10/93/97/352109397.db2.gz CJMRDXAQLDUSJE-JQWIXIFHSA-N 1 1 193.290 1.509 10 30 ADEEMO CC#CCC[N@H+]1CCOCC2(CC2)C1 335712417 352109718 /nfs/dbraw/zinc/10/97/18/352109718.db2.gz FOUZPHHRRDWNIY-UHFFFAOYSA-N 1 1 193.290 1.512 10 30 ADEEMO C=C(C)C[N@H+]1CCO[C@@]2(CCOC2)C1 335760091 352111481 /nfs/dbraw/zinc/11/14/81/352111481.db2.gz RNJKKQPTPJZIMZ-NSHDSACASA-N 1 1 197.278 1.054 10 30 ADEEMO C=CCC[N@@H+]1CCn2cnnc2[C@@H]1C 335786566 352112421 /nfs/dbraw/zinc/11/24/21/352112421.db2.gz AZCAJKGDKYLUMW-VIFPVBQESA-N 1 1 192.266 1.231 10 30 ADEEMO C=CCC[N@H+]1CCn2cnnc2[C@@H]1C 335786566 352112424 /nfs/dbraw/zinc/11/24/24/352112424.db2.gz AZCAJKGDKYLUMW-VIFPVBQESA-N 1 1 192.266 1.231 10 30 ADEEMO C=CCC[N@@H+]1CCn2cnnc2[C@H]1C 335786565 352112736 /nfs/dbraw/zinc/11/27/36/352112736.db2.gz AZCAJKGDKYLUMW-SECBINFHSA-N 1 1 192.266 1.231 10 30 ADEEMO C=CCC[N@H+]1CCn2cnnc2[C@H]1C 335786565 352112738 /nfs/dbraw/zinc/11/27/38/352112738.db2.gz AZCAJKGDKYLUMW-SECBINFHSA-N 1 1 192.266 1.231 10 30 ADEEMO C=CC[N@H+]1CCO[C@]2(CCO[C@H]2C)C1 335837594 352114778 /nfs/dbraw/zinc/11/47/78/352114778.db2.gz CSSGNDXACZFTRY-WDEREUQCSA-N 1 1 197.278 1.052 10 30 ADEEMO C=CC[N@H+]1CCO[C@@]2(CCO[C@H]2C)C1 335837593 352114839 /nfs/dbraw/zinc/11/48/39/352114839.db2.gz CSSGNDXACZFTRY-QWRGUYRKSA-N 1 1 197.278 1.052 10 30 ADEEMO C=CC[N@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 335837592 352114873 /nfs/dbraw/zinc/11/48/73/352114873.db2.gz CSSGNDXACZFTRY-MNOVXSKESA-N 1 1 197.278 1.052 10 30 ADEEMO C=CC[N@H+]1CCO[C@]2(CCO[C@@H]2C)C1 335837591 352114932 /nfs/dbraw/zinc/11/49/32/352114932.db2.gz CSSGNDXACZFTRY-GHMZBOCLSA-N 1 1 197.278 1.052 10 30 ADEEMO CC#CC[NH+]1[C@H](C)COC[C@H]1C 335845234 352115456 /nfs/dbraw/zinc/11/54/56/352115456.db2.gz ZBOXDILYXXEXEJ-NXEZZACHSA-N 1 1 167.252 1.119 10 30 ADEEMO C=C(C)C[N@@H+]1CCOC[C@@H]1CC 335845005 352115602 /nfs/dbraw/zinc/11/56/02/352115602.db2.gz FAVBNVALMXRQGP-JTQLQIEISA-N 1 1 169.268 1.673 10 30 ADEEMO C=C(C)C[N@H+]1CCO[C@@H](CC)C1 335845035 352115634 /nfs/dbraw/zinc/11/56/34/352115634.db2.gz IFAZNLYLBJYJJG-JTQLQIEISA-N 1 1 169.268 1.673 10 30 ADEEMO C=C(C)C[N@H+]1CCO[C@H](CC)C1 335845036 352115637 /nfs/dbraw/zinc/11/56/37/352115637.db2.gz IFAZNLYLBJYJJG-SNVBAGLBSA-N 1 1 169.268 1.673 10 30 ADEEMO CC#CC[N@@H+]1[C@@H](C)COC[C@H]1C 335845233 352115745 /nfs/dbraw/zinc/11/57/45/352115745.db2.gz ZBOXDILYXXEXEJ-AOOOYVTPSA-N 1 1 167.252 1.119 10 30 ADEEMO CC#CC[N@H+]1[C@@H](C)COC[C@H]1C 335845233 352115746 /nfs/dbraw/zinc/11/57/46/352115746.db2.gz ZBOXDILYXXEXEJ-AOOOYVTPSA-N 1 1 167.252 1.119 10 30 ADEEMO CC#CC[NH+]1[C@@H](C)COC[C@@H]1C 335845235 352115873 /nfs/dbraw/zinc/11/58/73/352115873.db2.gz ZBOXDILYXXEXEJ-UWVGGRQHSA-N 1 1 167.252 1.119 10 30 ADEEMO C=C(C)C[N@@H+]1CCOC[C@H]1CC 335845006 352115940 /nfs/dbraw/zinc/11/59/40/352115940.db2.gz FAVBNVALMXRQGP-SNVBAGLBSA-N 1 1 169.268 1.673 10 30 ADEEMO C=CC[N@H+]1CCc2cc[nH]c(=O)c2C1 335877045 352116416 /nfs/dbraw/zinc/11/64/16/352116416.db2.gz OQLPGSPHAVHAJK-UHFFFAOYSA-N 1 1 190.246 1.331 10 30 ADEEMO C=CCN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 335880986 352116813 /nfs/dbraw/zinc/11/68/13/352116813.db2.gz ALCLJFGUBKDGIC-NEPJUHHUSA-N 1 1 194.322 1.589 10 30 ADEEMO C=CCN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 335880986 352116816 /nfs/dbraw/zinc/11/68/16/352116816.db2.gz ALCLJFGUBKDGIC-NEPJUHHUSA-N 1 1 194.322 1.589 10 30 ADEEMO C=CCN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 335880988 352117380 /nfs/dbraw/zinc/11/73/80/352117380.db2.gz ALCLJFGUBKDGIC-RYUDHWBXSA-N 1 1 194.322 1.589 10 30 ADEEMO C=CCN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 335880988 352117381 /nfs/dbraw/zinc/11/73/81/352117381.db2.gz ALCLJFGUBKDGIC-RYUDHWBXSA-N 1 1 194.322 1.589 10 30 ADEEMO C=CCN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 335880987 352117392 /nfs/dbraw/zinc/11/73/92/352117392.db2.gz ALCLJFGUBKDGIC-NWDGAFQWSA-N 1 1 194.322 1.589 10 30 ADEEMO C=CCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 335880987 352117394 /nfs/dbraw/zinc/11/73/94/352117394.db2.gz ALCLJFGUBKDGIC-NWDGAFQWSA-N 1 1 194.322 1.589 10 30 ADEEMO C[C@H]1C[C@H](O)C[C@@H](C)[N@H+]1CCCC#N 335883070 352117438 /nfs/dbraw/zinc/11/74/38/352117438.db2.gz VRXMCRBJHRHABC-JGPRNRPPSA-N 1 1 196.294 1.524 10 30 ADEEMO C=CCN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 335880989 352117454 /nfs/dbraw/zinc/11/74/54/352117454.db2.gz ALCLJFGUBKDGIC-VXGBXAGGSA-N 1 1 194.322 1.589 10 30 ADEEMO C=CCN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 335880989 352117457 /nfs/dbraw/zinc/11/74/57/352117457.db2.gz ALCLJFGUBKDGIC-VXGBXAGGSA-N 1 1 194.322 1.589 10 30 ADEEMO C=CCC[N@@H+]1CCN(C(C)=O)C[C@@H]1C 335926573 352118890 /nfs/dbraw/zinc/11/88/90/352118890.db2.gz NNIQYFIHELVTAU-JTQLQIEISA-N 1 1 196.294 1.115 10 30 ADEEMO N#CCCC[N@H+]1CCC12CCC2 335916986 352118941 /nfs/dbraw/zinc/11/89/41/352118941.db2.gz FKYBQAGDWMKEEO-UHFFFAOYSA-N 1 1 164.252 1.919 10 30 ADEEMO C=CCC[N@@H+]1CCN(C(C)=O)C[C@H]1C 335926574 352119020 /nfs/dbraw/zinc/11/90/20/352119020.db2.gz NNIQYFIHELVTAU-SNVBAGLBSA-N 1 1 196.294 1.115 10 30 ADEEMO C=C(C)C[N@@H+]1C[C@H](C)N(C)[C@H](C)C1 335919914 352119222 /nfs/dbraw/zinc/11/92/22/352119222.db2.gz DNXMHXJHOSGEPO-PHIMTYICSA-N 1 1 182.311 1.587 10 30 ADEEMO C=C(C)CN1C[C@H](C)[N@H+](C)[C@H](C)C1 335919914 352119232 /nfs/dbraw/zinc/11/92/32/352119232.db2.gz DNXMHXJHOSGEPO-PHIMTYICSA-N 1 1 182.311 1.587 10 30 ADEEMO N#CCCC[N@H+]1CCOCC2(CC2)C1 335975481 352121062 /nfs/dbraw/zinc/12/10/62/352121062.db2.gz YGHHPOWMOGYOBU-UHFFFAOYSA-N 1 1 194.278 1.403 10 30 ADEEMO CC#CCN1C[C@@H](C)[N@@H+](CC)C[C@H]1C 336038097 352122607 /nfs/dbraw/zinc/12/26/07/352122607.db2.gz ALPLVCVMYDPYFV-VXGBXAGGSA-N 1 1 194.322 1.424 10 30 ADEEMO C=CC[N@@H+]1CCN(C)C[C@H]1C(C)C 336034705 352122760 /nfs/dbraw/zinc/12/27/60/352122760.db2.gz FDUBOQJTJBWCRU-NSHDSACASA-N 1 1 182.311 1.444 10 30 ADEEMO C=CCN1CC[N@@H+](C)C[C@H]1C(C)C 336034705 352122763 /nfs/dbraw/zinc/12/27/63/352122763.db2.gz FDUBOQJTJBWCRU-NSHDSACASA-N 1 1 182.311 1.444 10 30 ADEEMO C=CCN1CC[N@H+](C)C[C@H]1C(C)C 336034705 352122766 /nfs/dbraw/zinc/12/27/66/352122766.db2.gz FDUBOQJTJBWCRU-NSHDSACASA-N 1 1 182.311 1.444 10 30 ADEEMO CC#CCN1C[C@@H](C)[N@@H+](CC)C[C@@H]1C 336038094 352122902 /nfs/dbraw/zinc/12/29/02/352122902.db2.gz ALPLVCVMYDPYFV-NEPJUHHUSA-N 1 1 194.322 1.424 10 30 ADEEMO CC#CCN1C[C@H](C)[N@@H+](CC)C[C@@H]1C 336038096 352122916 /nfs/dbraw/zinc/12/29/16/352122916.db2.gz ALPLVCVMYDPYFV-RYUDHWBXSA-N 1 1 194.322 1.424 10 30 ADEEMO C=CC[N@@H+]1CCN(C)C[C@@H]1C(C)C 336034704 352122992 /nfs/dbraw/zinc/12/29/92/352122992.db2.gz FDUBOQJTJBWCRU-LLVKDONJSA-N 1 1 182.311 1.444 10 30 ADEEMO C=CCN1CC[N@@H+](C)C[C@@H]1C(C)C 336034704 352122994 /nfs/dbraw/zinc/12/29/94/352122994.db2.gz FDUBOQJTJBWCRU-LLVKDONJSA-N 1 1 182.311 1.444 10 30 ADEEMO C=CCN1CC[N@H+](C)C[C@@H]1C(C)C 336034704 352122996 /nfs/dbraw/zinc/12/29/96/352122996.db2.gz FDUBOQJTJBWCRU-LLVKDONJSA-N 1 1 182.311 1.444 10 30 ADEEMO CC#CCN1C[C@H](C)[N@@H+](CC)C[C@H]1C 336038095 352123061 /nfs/dbraw/zinc/12/30/61/352123061.db2.gz ALPLVCVMYDPYFV-NWDGAFQWSA-N 1 1 194.322 1.424 10 30 ADEEMO C=CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 336049378 352123540 /nfs/dbraw/zinc/12/35/40/352123540.db2.gz CZAKXJPFGGYHCF-UWVGGRQHSA-N 1 1 196.294 1.019 10 30 ADEEMO C=C(C)CN1CCC[C@H]([NH+](C)C)CC1 336119315 352126233 /nfs/dbraw/zinc/12/62/33/352126233.db2.gz BQQGUMCSCLZLSB-LBPRGKRZSA-N 1 1 196.338 1.979 10 30 ADEEMO C=C(C)CN1CCC[C@@H]([NH+](C)C)CC1 336119314 352126358 /nfs/dbraw/zinc/12/63/58/352126358.db2.gz BQQGUMCSCLZLSB-GFCCVEGCSA-N 1 1 196.338 1.979 10 30 ADEEMO C=C(C)C[N@H+]1CC[C@](O)(C(F)F)C1 336254694 352131761 /nfs/dbraw/zinc/13/17/61/352131761.db2.gz JJLNOQSPAIYYAN-SECBINFHSA-N 1 1 191.221 1.264 10 30 ADEEMO C=CC[N@@H+]1CC[C@H](OC)C(C)(C)C1 336258382 352132469 /nfs/dbraw/zinc/13/24/69/352132469.db2.gz BAHOZWSIOFBENY-JTQLQIEISA-N 1 1 183.295 1.919 10 30 ADEEMO C[C@@H]1[C@H](O)CCC[N@H+]1CC1(C#N)CC1 336255103 352132609 /nfs/dbraw/zinc/13/26/09/352132609.db2.gz UICYLAMRKQBWRR-NXEZZACHSA-N 1 1 194.278 1.135 10 30 ADEEMO C[C@H]1[C@@H](O)CCC[N@H+]1CC1(C#N)CC1 336255104 352132693 /nfs/dbraw/zinc/13/26/93/352132693.db2.gz UICYLAMRKQBWRR-UWVGGRQHSA-N 1 1 194.278 1.135 10 30 ADEEMO C=CC[N@@H+]1CC[C@@H](OC)C(C)(C)C1 336258383 352132795 /nfs/dbraw/zinc/13/27/95/352132795.db2.gz BAHOZWSIOFBENY-SNVBAGLBSA-N 1 1 183.295 1.919 10 30 ADEEMO C=C(C)CC[N@H+]1CC[C@@H](F)C1 336263138 352132839 /nfs/dbraw/zinc/13/28/39/352132839.db2.gz UEFNXUJVDMOHAN-SECBINFHSA-N 1 1 157.232 1.996 10 30 ADEEMO C=C(C)C[N@H+]1CC[C@@](O)(C(F)F)C1 336254695 352132935 /nfs/dbraw/zinc/13/29/35/352132935.db2.gz JJLNOQSPAIYYAN-VIFPVBQESA-N 1 1 191.221 1.264 10 30 ADEEMO C[C@H]1[C@H](O)CCC[N@H+]1CC1(C#N)CC1 336255105 352133089 /nfs/dbraw/zinc/13/30/89/352133089.db2.gz UICYLAMRKQBWRR-VHSXEESVSA-N 1 1 194.278 1.135 10 30 ADEEMO C[C@@H]1[C@@H](O)CCC[N@H+]1CC1(C#N)CC1 336255106 352133280 /nfs/dbraw/zinc/13/32/80/352133280.db2.gz UICYLAMRKQBWRR-ZJUUUORDSA-N 1 1 194.278 1.135 10 30 ADEEMO CC(C)(C#N)CC[N@H+]1CC[C@@H](F)C1 336262655 352133328 /nfs/dbraw/zinc/13/33/28/352133328.db2.gz HPQBWTZYIJXEFW-SECBINFHSA-N 1 1 184.258 1.970 10 30 ADEEMO CC#CC[N@H+]1CCC[C@@](C)(F)C1 336270218 352133534 /nfs/dbraw/zinc/13/35/34/352133534.db2.gz UWYHJIHYAPWRMM-SNVBAGLBSA-N 1 1 169.243 1.834 10 30 ADEEMO C=CCC[N@@H+]1CCCN(C)CC1 336277836 352133607 /nfs/dbraw/zinc/13/36/07/352133607.db2.gz DLRQYSFGZOSIPB-UHFFFAOYSA-N 1 1 168.284 1.200 10 30 ADEEMO C=CC[N@@H+]1CCC[C@@](C)(F)C1 336267367 352133763 /nfs/dbraw/zinc/13/37/63/352133763.db2.gz MBDUSCKHWXVEME-SECBINFHSA-N 1 1 157.232 1.996 10 30 ADEEMO C=CC[N@@H+]1CCC[C@](C)(F)C1 336267368 352133972 /nfs/dbraw/zinc/13/39/72/352133972.db2.gz MBDUSCKHWXVEME-VIFPVBQESA-N 1 1 157.232 1.996 10 30 ADEEMO CC#CC[N@H+]1CCC[C@](C)(F)C1 336270217 352134218 /nfs/dbraw/zinc/13/42/18/352134218.db2.gz UWYHJIHYAPWRMM-JTQLQIEISA-N 1 1 169.243 1.834 10 30 ADEEMO C=CCC[N@@H+]1C[C@H]2CCN(C)[C@H]2C1 336291422 352134546 /nfs/dbraw/zinc/13/45/46/352134546.db2.gz BECHDELNZVWOQW-MNOVXSKESA-N 1 1 180.295 1.198 10 30 ADEEMO CC#CC[N@@H+]1CCC[C@@H]1CC 336332922 352136568 /nfs/dbraw/zinc/13/65/68/352136568.db2.gz AOOBJXKSTJUWKN-JTQLQIEISA-N 1 1 151.253 1.884 10 30 ADEEMO CC#CC[N@H+]1CCCC1(C)C 336332997 352136741 /nfs/dbraw/zinc/13/67/41/352136741.db2.gz KCITZMAEWXFWKW-UHFFFAOYSA-N 1 1 151.253 1.884 10 30 ADEEMO CC#CC[N@H+]1CCC[C@H]2COCC[C@H]21 336345825 352137706 /nfs/dbraw/zinc/13/77/06/352137706.db2.gz XITGRLXHOKBAAW-NWDGAFQWSA-N 1 1 193.290 1.511 10 30 ADEEMO CC#CC[N@H+]1CCC[C@@H]2COCC[C@@H]21 336345824 352137824 /nfs/dbraw/zinc/13/78/24/352137824.db2.gz XITGRLXHOKBAAW-NEPJUHHUSA-N 1 1 193.290 1.511 10 30 ADEEMO CC#CC[N@H+]1CCC[C@@H]2COCC[C@H]21 336345827 352137899 /nfs/dbraw/zinc/13/78/99/352137899.db2.gz XITGRLXHOKBAAW-VXGBXAGGSA-N 1 1 193.290 1.511 10 30 ADEEMO CC#CCC[N@H+]1CCN(C)[C@H](C)[C@@H]1C 336355419 352138516 /nfs/dbraw/zinc/13/85/16/352138516.db2.gz GQCHBXMPOXXENB-NEPJUHHUSA-N 1 1 194.322 1.424 10 30 ADEEMO CC#CCCN1CC[N@@H+](C)[C@H](C)[C@@H]1C 336355419 352138521 /nfs/dbraw/zinc/13/85/21/352138521.db2.gz GQCHBXMPOXXENB-NEPJUHHUSA-N 1 1 194.322 1.424 10 30 ADEEMO CC#CCC[N@H+]1CCN(C)[C@@H](C)[C@@H]1C 336355422 352138724 /nfs/dbraw/zinc/13/87/24/352138724.db2.gz GQCHBXMPOXXENB-RYUDHWBXSA-N 1 1 194.322 1.424 10 30 ADEEMO CC#CCCN1CC[N@@H+](C)[C@@H](C)[C@@H]1C 336355422 352138729 /nfs/dbraw/zinc/13/87/29/352138729.db2.gz GQCHBXMPOXXENB-RYUDHWBXSA-N 1 1 194.322 1.424 10 30 ADEEMO CC#CCC[N@H+]1CCN(C)[C@H](C)[C@H]1C 336355423 352138815 /nfs/dbraw/zinc/13/88/15/352138815.db2.gz GQCHBXMPOXXENB-VXGBXAGGSA-N 1 1 194.322 1.424 10 30 ADEEMO CC#CCCN1CC[N@@H+](C)[C@H](C)[C@H]1C 336355423 352138822 /nfs/dbraw/zinc/13/88/22/352138822.db2.gz GQCHBXMPOXXENB-VXGBXAGGSA-N 1 1 194.322 1.424 10 30 ADEEMO CC#CCC[N@H+]1CCN(C)[C@@H](C)[C@H]1C 336355421 352138833 /nfs/dbraw/zinc/13/88/33/352138833.db2.gz GQCHBXMPOXXENB-NWDGAFQWSA-N 1 1 194.322 1.424 10 30 ADEEMO CC#CCCN1CC[N@@H+](C)[C@@H](C)[C@H]1C 336355421 352138837 /nfs/dbraw/zinc/13/88/37/352138837.db2.gz GQCHBXMPOXXENB-NWDGAFQWSA-N 1 1 194.322 1.424 10 30 ADEEMO C[C@H]1[N@@H+](CCCC#N)CCOC1(C)C 336458484 352142187 /nfs/dbraw/zinc/14/21/87/352142187.db2.gz CZEPQSRIAKTYRN-SNVBAGLBSA-N 1 1 196.294 1.789 10 30 ADEEMO C=CC[N@H+]1CCC[C@H](n2cccn2)C1 336519449 352143812 /nfs/dbraw/zinc/14/38/12/352143812.db2.gz HTLVXMATPKDDLQ-NSHDSACASA-N 1 1 191.278 1.706 10 30 ADEEMO C=CC[N@H+]1CCC[C@@H](n2cccn2)C1 336519448 352143916 /nfs/dbraw/zinc/14/39/16/352143916.db2.gz HTLVXMATPKDDLQ-LLVKDONJSA-N 1 1 191.278 1.706 10 30 ADEEMO C=CC[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 336530482 352144239 /nfs/dbraw/zinc/14/42/39/352144239.db2.gz OTTAPDQVLSXLDC-NWDGAFQWSA-N 1 1 195.306 1.921 10 30 ADEEMO C=CC[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 336530484 352144307 /nfs/dbraw/zinc/14/43/07/352144307.db2.gz OTTAPDQVLSXLDC-VXGBXAGGSA-N 1 1 195.306 1.921 10 30 ADEEMO C=CC[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 336530481 352144327 /nfs/dbraw/zinc/14/43/27/352144327.db2.gz OTTAPDQVLSXLDC-NEPJUHHUSA-N 1 1 195.306 1.921 10 30 ADEEMO C=C(C)C[N@@H+]1CCOC[C@]12CCOC2 336551852 352144377 /nfs/dbraw/zinc/14/43/77/352144377.db2.gz GNAVWSGGYAKFLC-LLVKDONJSA-N 1 1 197.278 1.054 10 30 ADEEMO C=C(C)C[N@H+]1CCOC[C@]12CCOC2 336551852 352144381 /nfs/dbraw/zinc/14/43/81/352144381.db2.gz GNAVWSGGYAKFLC-LLVKDONJSA-N 1 1 197.278 1.054 10 30 ADEEMO C=C(C)C[N@@H+]1CCN(C(C)=O)C[C@@H]1C 336551015 352144497 /nfs/dbraw/zinc/14/44/97/352144497.db2.gz UEMQMOFTSBWLSK-JTQLQIEISA-N 1 1 196.294 1.115 10 30 ADEEMO C=C(C)C[N@@H+]1CCOC[C@@]12CCOC2 336551853 352144593 /nfs/dbraw/zinc/14/45/93/352144593.db2.gz GNAVWSGGYAKFLC-NSHDSACASA-N 1 1 197.278 1.054 10 30 ADEEMO C=C(C)C[N@H+]1CCOC[C@@]12CCOC2 336551853 352144595 /nfs/dbraw/zinc/14/45/95/352144595.db2.gz GNAVWSGGYAKFLC-NSHDSACASA-N 1 1 197.278 1.054 10 30 ADEEMO C=C(C)C[N@@H+]1CCN(C(C)=O)C[C@H]1C 336551016 352144781 /nfs/dbraw/zinc/14/47/81/352144781.db2.gz UEMQMOFTSBWLSK-SNVBAGLBSA-N 1 1 196.294 1.115 10 30 ADEEMO C=CC[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 336530483 352144790 /nfs/dbraw/zinc/14/47/90/352144790.db2.gz OTTAPDQVLSXLDC-RYUDHWBXSA-N 1 1 195.306 1.921 10 30 ADEEMO N#CCN1CCC(c2[nH]cc[nH+]2)CC1 336552656 352145276 /nfs/dbraw/zinc/14/52/76/352145276.db2.gz UCGGWLADUIYADY-UHFFFAOYSA-N 1 1 190.250 1.113 10 30 ADEEMO N#CCC[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 336552547 352145660 /nfs/dbraw/zinc/14/56/60/352145660.db2.gz HIBGPLNJFZFKPJ-MNOVXSKESA-N 1 1 194.278 1.258 10 30 ADEEMO N#CCC[N@H+]1CC[C@H]([C@H]2CCOC2)C1 336552548 352145722 /nfs/dbraw/zinc/14/57/22/352145722.db2.gz HIBGPLNJFZFKPJ-QWRGUYRKSA-N 1 1 194.278 1.258 10 30 ADEEMO CC#CC[N@H+]1CC[C@@]2(CCOC2)C1 336554027 352147014 /nfs/dbraw/zinc/14/70/14/352147014.db2.gz DOIVMJHWISXMQA-LLVKDONJSA-N 1 1 179.263 1.122 10 30 ADEEMO CC#CC[N@H+]1CC[C@]2(CCOC2)C1 336554028 352147150 /nfs/dbraw/zinc/14/71/50/352147150.db2.gz DOIVMJHWISXMQA-NSHDSACASA-N 1 1 179.263 1.122 10 30 ADEEMO CC[N@H+]1CC[C@H](N(C)CC#N)[C@H](C)C1 336559293 352148264 /nfs/dbraw/zinc/14/82/64/352148264.db2.gz ZRTWRGIOPJZHFF-MNOVXSKESA-N 1 1 195.310 1.172 10 30 ADEEMO CC[N@H+]1CC[C@H](N(C)CC#N)[C@@H](C)C1 336559294 352148413 /nfs/dbraw/zinc/14/84/13/352148413.db2.gz ZRTWRGIOPJZHFF-QWRGUYRKSA-N 1 1 195.310 1.172 10 30 ADEEMO CC[N@H+]1CC[C@@H](N(C)CC#N)[C@H](C)C1 336559292 352148502 /nfs/dbraw/zinc/14/85/02/352148502.db2.gz ZRTWRGIOPJZHFF-GHMZBOCLSA-N 1 1 195.310 1.172 10 30 ADEEMO CC#CCC[N@H+]1CCN(C)CC1(C)C 336563372 352148539 /nfs/dbraw/zinc/14/85/39/352148539.db2.gz ACFHXADUEXLBJA-UHFFFAOYSA-N 1 1 194.322 1.426 10 30 ADEEMO CC#CCCN1CC[N@H+](C)CC1(C)C 336563372 352148543 /nfs/dbraw/zinc/14/85/43/352148543.db2.gz ACFHXADUEXLBJA-UHFFFAOYSA-N 1 1 194.322 1.426 10 30 ADEEMO CC#CCCN1CC[N@@H+](C)CC1(C)C 336563372 352148547 /nfs/dbraw/zinc/14/85/47/352148547.db2.gz ACFHXADUEXLBJA-UHFFFAOYSA-N 1 1 194.322 1.426 10 30 ADEEMO CC[N@H+]1CC[C@@H](N(C)CC#N)[C@@H](C)C1 336559295 352148642 /nfs/dbraw/zinc/14/86/42/352148642.db2.gz ZRTWRGIOPJZHFF-WDEREUQCSA-N 1 1 195.310 1.172 10 30 ADEEMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O 527536036 352166886 /nfs/dbraw/zinc/16/68/86/352166886.db2.gz PDEUHMTVVMZOFS-NRUUGDAUSA-N 1 1 199.319 1.158 10 30 ADEEMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O 527536044 352167361 /nfs/dbraw/zinc/16/73/61/352167361.db2.gz PDEUHMTVVMZOFS-GBIKHYSHSA-N 1 1 199.319 1.158 10 30 ADEEMO C=CC(C)(C)CCN[C@@H]1CC[NH2+]C1 530214300 352187294 /nfs/dbraw/zinc/18/72/94/352187294.db2.gz XFPXPOZXZVNACX-SNVBAGLBSA-N 1 1 182.311 1.540 10 30 ADEEMO C=CC(C)(C)CCN[C@H]1CC[NH2+]C1 530214299 352187146 /nfs/dbraw/zinc/18/71/46/352187146.db2.gz XFPXPOZXZVNACX-JTQLQIEISA-N 1 1 182.311 1.540 10 30 ADEEMO C/[N+](O)=C/c1cccc([N+](=O)[O-])c1 575349457 352197601 /nfs/dbraw/zinc/19/76/01/352197601.db2.gz WZRVKYPPSOCLQW-TWGQIWQCSA-N 1 1 181.171 1.045 10 30 ADEEMO C/[N+](O)=C/c1ccc([N+](=O)[O-])cc1 575427180 352200932 /nfs/dbraw/zinc/20/09/32/352200932.db2.gz MXRFRGKAKCLSKD-TWGQIWQCSA-N 1 1 181.171 1.045 10 30 ADEEMO C=C(C)C(=O)[C@H]1CC[N@H+](C)C1 575451074 352212617 /nfs/dbraw/zinc/21/26/17/352212617.db2.gz ZTEWRCZWHGTNSA-QMMMGPOBSA-N 1 1 153.225 1.083 10 30 ADEEMO C=C(C)C(=O)[C@@H]1CC[N@H+](C)C1 575451069 352212678 /nfs/dbraw/zinc/21/26/78/352212678.db2.gz ZTEWRCZWHGTNSA-MRVPVSSYSA-N 1 1 153.225 1.083 10 30 ADEEMO F[C@H]1CCC[N@@H+](CCS)C1 575451691 352215403 /nfs/dbraw/zinc/21/54/03/352215403.db2.gz HOYZOTORVORRCU-ZETCQYMHSA-N 1 1 163.261 1.350 10 30 ADEEMO F[C@@H]1CCC[N@@H+](CCS)C1 575451690 352215576 /nfs/dbraw/zinc/21/55/76/352215576.db2.gz HOYZOTORVORRCU-SSDOTTSWSA-N 1 1 163.261 1.350 10 30 ADEEMO N#C[C@@]1(C[C@@H]2CC2(F)F)CCC[NH2+]1 575455841 352227539 /nfs/dbraw/zinc/22/75/39/352227539.db2.gz LOMPQZYSSKMBJR-SFYZADRCSA-N 1 1 186.205 1.677 10 30 ADEEMO N#C[C@@]1(C[C@H]2CC2(F)F)CCC[NH2+]1 575455842 352227592 /nfs/dbraw/zinc/22/75/92/352227592.db2.gz LOMPQZYSSKMBJR-YUMQZZPRSA-N 1 1 186.205 1.677 10 30 ADEEMO N#C[C@]1(C[C@H]2CC2(F)F)CCC[NH2+]1 575455840 352227731 /nfs/dbraw/zinc/22/77/31/352227731.db2.gz LOMPQZYSSKMBJR-JGVFFNPUSA-N 1 1 186.205 1.677 10 30 ADEEMO N#C[C@]1(C[C@@H]2CC2(F)F)CCC[NH2+]1 575455839 352227822 /nfs/dbraw/zinc/22/78/22/352227822.db2.gz LOMPQZYSSKMBJR-HTQZYQBOSA-N 1 1 186.205 1.677 10 30 ADEEMO C=C[C@@H]([NH3+])C(F)(F)C(F)(F)F 575456839 352232004 /nfs/dbraw/zinc/23/20/04/352232004.db2.gz SMNCRKBLWCZPRM-GSVOUGTGSA-N 1 1 175.100 1.697 10 30 ADEEMO C=C[C@H]([NH3+])C(F)(F)C(F)(F)F 575456840 352232030 /nfs/dbraw/zinc/23/20/30/352232030.db2.gz SMNCRKBLWCZPRM-VKHMYHEASA-N 1 1 175.100 1.697 10 30 ADEEMO O=CCC[N@H+]1CCC[C@H](F)C1 575456912 352232482 /nfs/dbraw/zinc/23/24/82/352232482.db2.gz ZRBGIYQEFYIFFY-QMMMGPOBSA-N 1 1 159.204 1.009 10 30 ADEEMO O=CCC[N@@H+]1CCC[C@H](F)C1 575456912 352232485 /nfs/dbraw/zinc/23/24/85/352232485.db2.gz ZRBGIYQEFYIFFY-QMMMGPOBSA-N 1 1 159.204 1.009 10 30 ADEEMO O=CCC[N@H+]1CCC[C@@H](F)C1 575456911 352232719 /nfs/dbraw/zinc/23/27/19/352232719.db2.gz ZRBGIYQEFYIFFY-MRVPVSSYSA-N 1 1 159.204 1.009 10 30 ADEEMO O=CCC[N@@H+]1CCC[C@@H](F)C1 575456911 352232722 /nfs/dbraw/zinc/23/27/22/352232722.db2.gz ZRBGIYQEFYIFFY-MRVPVSSYSA-N 1 1 159.204 1.009 10 30 ADEEMO SCC[N@H+]1CCC[C@@H]2COC[C@@H]21 575458435 352236770 /nfs/dbraw/zinc/23/67/70/352236770.db2.gz SXOAQDGAPUMZER-BDAKNGLRSA-N 1 1 187.308 1.027 10 30 ADEEMO SCC[N@H+]1CCC[C@@H]2COC[C@H]21 575458440 352237086 /nfs/dbraw/zinc/23/70/86/352237086.db2.gz SXOAQDGAPUMZER-RKDXNWHRSA-N 1 1 187.308 1.027 10 30 ADEEMO SCC[N@H+]1CCC[C@H]2COC[C@@H]21 575458439 352237108 /nfs/dbraw/zinc/23/71/08/352237108.db2.gz SXOAQDGAPUMZER-IUCAKERBSA-N 1 1 187.308 1.027 10 30 ADEEMO O=CCC[N@H+]1CCC12CCC2 575460580 352243962 /nfs/dbraw/zinc/24/39/62/352243962.db2.gz LBLCJGWTLIERFN-UHFFFAOYSA-N 1 1 153.225 1.204 10 30 ADEEMO C=C1C[NH+](Cc2ccc(N)cc2)C1 575461073 352245918 /nfs/dbraw/zinc/24/59/18/352245918.db2.gz WLMJKHPWSCHIEX-UHFFFAOYSA-N 1 1 174.247 1.641 10 30 ADEEMO CC(=O)/C(C)=C/c1c[nH+]c(C)n1C 575461915 352249373 /nfs/dbraw/zinc/24/93/73/352249373.db2.gz YUZGQIJQKPJTKH-FNORWQNLSA-N 1 1 178.235 1.721 10 30 ADEEMO CC(=O)/C(C)=C\c1c[nH+]c(C)n1C 575461914 352249592 /nfs/dbraw/zinc/24/95/92/352249592.db2.gz YUZGQIJQKPJTKH-ALCCZGGFSA-N 1 1 178.235 1.721 10 30 ADEEMO C[C@@H]1CC[N@H+]1C/C=C/CS 575462287 352251103 /nfs/dbraw/zinc/25/11/03/352251103.db2.gz PGWPCRLGTOHMRS-UFUPEUMYSA-N 1 1 157.282 1.567 10 30 ADEEMO C[C@H]1CC[N@H+]1C/C=C/CS 575462286 352251111 /nfs/dbraw/zinc/25/11/11/352251111.db2.gz PGWPCRLGTOHMRS-SGJFDWMWSA-N 1 1 157.282 1.567 10 30 ADEEMO C#C[C@@H]([NH2+]CC)c1ccns1 575462853 352253664 /nfs/dbraw/zinc/25/36/64/352253664.db2.gz VEGXYGPLXOGLQG-SSDOTTSWSA-N 1 1 166.249 1.427 10 30 ADEEMO C#C[C@H]([NH2+]CC)c1ccns1 575462858 352253759 /nfs/dbraw/zinc/25/37/59/352253759.db2.gz VEGXYGPLXOGLQG-ZETCQYMHSA-N 1 1 166.249 1.427 10 30 ADEEMO O=CC[N@H+]1CCCC2(CC1)CC2 575462905 352253851 /nfs/dbraw/zinc/25/38/51/352253851.db2.gz MCSSUDVSDGJPDB-UHFFFAOYSA-N 1 1 167.252 1.451 10 30 ADEEMO SCCC[N@@H+]1C[C@H]2CC[C@H]2C1 575463001 352254409 /nfs/dbraw/zinc/25/44/09/352254409.db2.gz YLAQHDQTOJJRHQ-DTORHVGOSA-N 1 1 171.309 1.648 10 30 ADEEMO C=C1CCN(c2ccc(N)c[nH+]2)C1 575463529 352255358 /nfs/dbraw/zinc/25/53/58/352255358.db2.gz UNZQVJBGELJDQY-UHFFFAOYSA-N 1 1 175.235 1.430 10 30 ADEEMO C=C1CN(c2ccc[nH+]c2N)C1 575464021 352256708 /nfs/dbraw/zinc/25/67/08/352256708.db2.gz MPAKYJRPUHQMEH-UHFFFAOYSA-N 1 1 161.208 1.040 10 30 ADEEMO C=C(CS)C[N@@H+]1CC[C@@H](F)C1 575464235 352258260 /nfs/dbraw/zinc/25/82/60/352258260.db2.gz ODDYNPUPYIFNPV-MRVPVSSYSA-N 1 1 175.272 1.516 10 30 ADEEMO C=C(CS)C[N@@H+]1CC[C@H](F)C1 575464243 352258420 /nfs/dbraw/zinc/25/84/20/352258420.db2.gz ODDYNPUPYIFNPV-QMMMGPOBSA-N 1 1 175.272 1.516 10 30 ADEEMO FC(F)[C@@H]1CC[N@@H+](CCS)C1 575465336 352262140 /nfs/dbraw/zinc/26/21/40/352262140.db2.gz JZEVKQZKRMIBJA-ZCFIWIBFSA-N 1 1 181.251 1.503 10 30 ADEEMO FC(F)[C@H]1CC[N@@H+](CCS)C1 575465332 352262524 /nfs/dbraw/zinc/26/25/24/352262524.db2.gz JZEVKQZKRMIBJA-LURJTMIESA-N 1 1 181.251 1.503 10 30 ADEEMO F[C@H]1CC[N@H+](C/C=C/CS)C1 575466359 352266753 /nfs/dbraw/zinc/26/67/53/352266753.db2.gz ADAOPNZYPJWQEB-CMLYIYFCSA-N 1 1 175.272 1.516 10 30 ADEEMO F[C@H]1CC[N@@H+](C/C=C/CS)C1 575466359 352266756 /nfs/dbraw/zinc/26/67/56/352266756.db2.gz ADAOPNZYPJWQEB-CMLYIYFCSA-N 1 1 175.272 1.516 10 30 ADEEMO F[C@@H]1CC[N@H+](C/C=C/CS)C1 575466360 352267012 /nfs/dbraw/zinc/26/70/12/352267012.db2.gz ADAOPNZYPJWQEB-FHKCNRDCSA-N 1 1 175.272 1.516 10 30 ADEEMO F[C@@H]1CC[N@@H+](C/C=C/CS)C1 575466360 352267017 /nfs/dbraw/zinc/26/70/17/352267017.db2.gz ADAOPNZYPJWQEB-FHKCNRDCSA-N 1 1 175.272 1.516 10 30 ADEEMO C[C@H]1[C@H](C)C[N@H+]1CCS 575466610 352267226 /nfs/dbraw/zinc/26/72/26/352267226.db2.gz KQVOHOORKIWKCQ-RQJHMYQMSA-N 1 1 145.271 1.256 10 30 ADEEMO C[C@H]1C[N@@H+](CCS)[C@H]1C 575466607 352267275 /nfs/dbraw/zinc/26/72/75/352267275.db2.gz KQVOHOORKIWKCQ-BQBZGAKWSA-N 1 1 145.271 1.256 10 30 ADEEMO C[C@H]1C[N@@H+](CCS)[C@@H]1C 575466608 352267297 /nfs/dbraw/zinc/26/72/97/352267297.db2.gz KQVOHOORKIWKCQ-NKWVEPMBSA-N 1 1 145.271 1.256 10 30 ADEEMO C[C@@H]1C[N@@H+](CCS)[C@@H]1C 575466609 352267674 /nfs/dbraw/zinc/26/76/74/352267674.db2.gz KQVOHOORKIWKCQ-RNFRBKRXSA-N 1 1 145.271 1.256 10 30 ADEEMO C=C1CN(c2c(N)c[nH+]cc2Cl)C1 575467483 352271340 /nfs/dbraw/zinc/27/13/40/352271340.db2.gz VRCDAOYHBYIHTM-UHFFFAOYSA-N 1 1 195.653 1.693 10 30 ADEEMO SCCC[N@H+]1CCC12CCC2 575472469 352290992 /nfs/dbraw/zinc/29/09/92/352290992.db2.gz AQRKUGRACUGLPJ-UHFFFAOYSA-N 1 1 171.309 1.935 10 30 ADEEMO CC(=O)[C@H](C)[NH+]1CCC(C#N)CC1 575478663 352296512 /nfs/dbraw/zinc/29/65/12/352296512.db2.gz JAJXNOPHAFFNQL-QMMMGPOBSA-N 1 1 180.251 1.199 10 30 ADEEMO CC(=O)[C@@H](C)[NH+]1CCC(C#N)CC1 575478660 352296672 /nfs/dbraw/zinc/29/66/72/352296672.db2.gz JAJXNOPHAFFNQL-MRVPVSSYSA-N 1 1 180.251 1.199 10 30 ADEEMO CC(C)(C=O)[NH+]1CCC(C#N)CC1 575480221 352304296 /nfs/dbraw/zinc/30/42/96/352304296.db2.gz UQGLFDKMDNFUCD-UHFFFAOYSA-N 1 1 180.251 1.199 10 30 ADEEMO C[C@H]1CSC(NCC(C)(F)F)=[NH+]1 575480925 352308374 /nfs/dbraw/zinc/30/83/74/352308374.db2.gz OVSBLZSXVDCQFB-YFKPBYRVSA-N 1 1 194.250 1.723 10 30 ADEEMO C[C@@H]1CSC(NCC(C)(F)F)=[NH+]1 575480924 352308387 /nfs/dbraw/zinc/30/83/87/352308387.db2.gz OVSBLZSXVDCQFB-RXMQYKEDSA-N 1 1 194.250 1.723 10 30 ADEEMO C[C@H]1CCC[C@@H]1[N@@H+](C)CC=O 575490007 352355276 /nfs/dbraw/zinc/35/52/76/352355276.db2.gz RCFNBFZDWUBRCV-IUCAKERBSA-N 1 1 155.241 1.306 10 30 ADEEMO C[C@H]1CCC[C@H]1[N@@H+](C)CC=O 575490006 352355438 /nfs/dbraw/zinc/35/54/38/352355438.db2.gz RCFNBFZDWUBRCV-DTWKUNHWSA-N 1 1 155.241 1.306 10 30 ADEEMO C[C@@H]1CCC[C@@H]1[N@@H+](C)CC=O 575490005 352355574 /nfs/dbraw/zinc/35/55/74/352355574.db2.gz RCFNBFZDWUBRCV-BDAKNGLRSA-N 1 1 155.241 1.306 10 30 ADEEMO C[C@@H]1CCC[C@H]1[N@@H+](C)CC=O 575490008 352355598 /nfs/dbraw/zinc/35/55/98/352355598.db2.gz RCFNBFZDWUBRCV-RKDXNWHRSA-N 1 1 155.241 1.306 10 30 ADEEMO CCOC1CCC([NH3+])(C#N)CC1 575492561 352368291 /nfs/dbraw/zinc/36/82/91/352368291.db2.gz DIUQVAALKNJGPZ-UHFFFAOYSA-N 1 1 168.240 1.187 10 30 ADEEMO C=C[C@@H]([NH3+])C(F)(F)CC 575497389 352389442 /nfs/dbraw/zinc/38/94/42/352389442.db2.gz GRXNJQGQJQNQRH-RXMQYKEDSA-N 1 1 135.157 1.545 10 30 ADEEMO C=C[C@H]([NH3+])C(F)(F)CC 575497390 352389559 /nfs/dbraw/zinc/38/95/59/352389559.db2.gz GRXNJQGQJQNQRH-YFKPBYRVSA-N 1 1 135.157 1.545 10 30 ADEEMO C=C(C)[C@H]([NH3+])C(F)(F)CC 575497889 352392294 /nfs/dbraw/zinc/39/22/94/352392294.db2.gz NYBYXEMBAXBJPA-LURJTMIESA-N 1 1 149.184 1.935 10 30 ADEEMO C=C(C)[C@@H]([NH3+])C(F)(F)CC 575497890 352392496 /nfs/dbraw/zinc/39/24/96/352392496.db2.gz NYBYXEMBAXBJPA-ZCFIWIBFSA-N 1 1 149.184 1.935 10 30 ADEEMO CC(C)(C=O)[N@H+]1CCCC2(CC2)C1 575498535 352394933 /nfs/dbraw/zinc/39/49/33/352394933.db2.gz IXPKLTSQIPFADF-UHFFFAOYSA-N 1 1 181.279 1.840 10 30 ADEEMO O=CC[N@H+]1CCCC2(CC2)C1 575498627 352395750 /nfs/dbraw/zinc/39/57/50/352395750.db2.gz PUBODUVZPQFQKU-UHFFFAOYSA-N 1 1 153.225 1.061 10 30 ADEEMO C[C@H](C=O)[N@H+]1CCCC2(CC2)C1 575498697 352396617 /nfs/dbraw/zinc/39/66/17/352396617.db2.gz XACAAUPFYQWDIM-SECBINFHSA-N 1 1 167.252 1.450 10 30 ADEEMO C[C@@H](C=O)[N@H+]1CCCC2(CC2)C1 575498698 352396687 /nfs/dbraw/zinc/39/66/87/352396687.db2.gz XACAAUPFYQWDIM-VIFPVBQESA-N 1 1 167.252 1.450 10 30 ADEEMO CC(C)(C=O)[N@H+]1CC[C@@H]2C[C@@H]2C1 575499097 352399225 /nfs/dbraw/zinc/39/92/25/352399225.db2.gz DSYSYYOEYQEOQU-RKDXNWHRSA-N 1 1 167.252 1.306 10 30 ADEEMO CC(C)(C=O)[N@H+]1CC[C@H]2C[C@H]2C1 575499096 352399336 /nfs/dbraw/zinc/39/93/36/352399336.db2.gz DSYSYYOEYQEOQU-IUCAKERBSA-N 1 1 167.252 1.306 10 30 ADEEMO C=C1CCN(c2[nH+]cccc2N)C1 575499873 352403612 /nfs/dbraw/zinc/40/36/12/352403612.db2.gz BJJSSZQIEDPJOU-UHFFFAOYSA-N 1 1 175.235 1.430 10 30 ADEEMO C=C1CN(c2[nH+]cccc2N)C1 575499830 352404002 /nfs/dbraw/zinc/40/40/02/352404002.db2.gz BDKNNTITPATQST-UHFFFAOYSA-N 1 1 161.208 1.040 10 30 ADEEMO C=C1CN(c2[nH+]cc(C)cc2N)C1 575499968 352404434 /nfs/dbraw/zinc/40/44/34/352404434.db2.gz CGIMZQIUPRSPRU-UHFFFAOYSA-N 1 1 175.235 1.348 10 30 ADEEMO C=C1CCC[N@@H+](C(C)(C)CN)C1 575499965 352404630 /nfs/dbraw/zinc/40/46/30/352404630.db2.gz CDPGBWIYAQZEGB-UHFFFAOYSA-N 1 1 168.284 1.376 10 30 ADEEMO C=C1CCC[N@H+](C(C)(C)CN)C1 575499965 352404633 /nfs/dbraw/zinc/40/46/33/352404633.db2.gz CDPGBWIYAQZEGB-UHFFFAOYSA-N 1 1 168.284 1.376 10 30 ADEEMO C=C1CCN(c2ccc[nH+]c2N)C1 575501120 352410425 /nfs/dbraw/zinc/41/04/25/352410425.db2.gz JGAAHTZKPMZZFK-UHFFFAOYSA-N 1 1 175.235 1.430 10 30 ADEEMO C=C1C[NH+](Cc2cccc(N)c2)C1 575502216 352416160 /nfs/dbraw/zinc/41/61/60/352416160.db2.gz SZUACKWZIBOBRB-UHFFFAOYSA-N 1 1 174.247 1.641 10 30 ADEEMO C=C1CN(c2[nH+]cc(N)cc2C)C1 575502453 352417654 /nfs/dbraw/zinc/41/76/54/352417654.db2.gz VNMLZWJYBRJCFG-UHFFFAOYSA-N 1 1 175.235 1.348 10 30 ADEEMO C=C1CCCN(C[C@H]2CC[NH2+]C2)C1 575503071 352420063 /nfs/dbraw/zinc/42/00/63/352420063.db2.gz BALHFAYDEJICKP-NSHDSACASA-N 1 1 180.295 1.248 10 30 ADEEMO C=C1CCCN(C[C@@H]2CC[NH2+]C2)C1 575503070 352420159 /nfs/dbraw/zinc/42/01/59/352420159.db2.gz BALHFAYDEJICKP-LLVKDONJSA-N 1 1 180.295 1.248 10 30 ADEEMO C=C1CN(CC2CCC([NH3+])CC2)C1 575503114 352420809 /nfs/dbraw/zinc/42/08/09/352420809.db2.gz CLNHPSWRWZYDIF-UHFFFAOYSA-N 1 1 180.295 1.376 10 30 ADEEMO C=C1CN(C[C@H]2CC[NH2+][C@H](C)C2)C1 575503329 352421557 /nfs/dbraw/zinc/42/15/57/352421557.db2.gz LPIYVIRSZUAWTI-MNOVXSKESA-N 1 1 180.295 1.246 10 30 ADEEMO C=C1CN(C[C@@H]2CC[NH2+][C@H](C)C2)C1 575503328 352421564 /nfs/dbraw/zinc/42/15/64/352421564.db2.gz LPIYVIRSZUAWTI-GHMZBOCLSA-N 1 1 180.295 1.246 10 30 ADEEMO C=C1CN(CC2(C)CC[NH2+]CC2)C1 575503229 352421750 /nfs/dbraw/zinc/42/17/50/352421750.db2.gz HJSUDJNAEVASAX-UHFFFAOYSA-N 1 1 180.295 1.248 10 30 ADEEMO C=C1CN(C[C@@H]2CCC[C@@H]([NH3+])C2)C1 575503435 352422360 /nfs/dbraw/zinc/42/23/60/352422360.db2.gz PMRGZRMGLZPUEU-GHMZBOCLSA-N 1 1 180.295 1.376 10 30 ADEEMO C=C1CN(C[C@H]2CC[NH2+][C@@H](C)C2)C1 575503330 352422596 /nfs/dbraw/zinc/42/25/96/352422596.db2.gz LPIYVIRSZUAWTI-QWRGUYRKSA-N 1 1 180.295 1.246 10 30 ADEEMO C=C1CN(C[C@H]2CCC[C@@H]([NH3+])C2)C1 575503438 352422878 /nfs/dbraw/zinc/42/28/78/352422878.db2.gz PMRGZRMGLZPUEU-WDEREUQCSA-N 1 1 180.295 1.376 10 30 ADEEMO C=C1CCN(C[C@@]2(C)CC[NH2+]C2)C1 575503446 352423302 /nfs/dbraw/zinc/42/33/02/352423302.db2.gz PWCLUYMJXXKGQV-NSHDSACASA-N 1 1 180.295 1.248 10 30 ADEEMO C=C1CN(C[C@H]2CCC[C@H]([NH3+])C2)C1 575503437 352423357 /nfs/dbraw/zinc/42/33/57/352423357.db2.gz PMRGZRMGLZPUEU-QWRGUYRKSA-N 1 1 180.295 1.376 10 30 ADEEMO C=C1CN(C[C@@H]2CCC[C@H]([NH3+])C2)C1 575503436 352423366 /nfs/dbraw/zinc/42/33/66/352423366.db2.gz PMRGZRMGLZPUEU-MNOVXSKESA-N 1 1 180.295 1.376 10 30 ADEEMO C=C1CCN(C[C@]2(C)CC[NH2+]C2)C1 575503445 352423416 /nfs/dbraw/zinc/42/34/16/352423416.db2.gz PWCLUYMJXXKGQV-LLVKDONJSA-N 1 1 180.295 1.248 10 30 ADEEMO C=C1CCN(C[C@H]2CCC[NH2+]C2)C1 575503656 352424070 /nfs/dbraw/zinc/42/40/70/352424070.db2.gz XHQNYVPBPCUBFR-NSHDSACASA-N 1 1 180.295 1.248 10 30 ADEEMO C=C1CCN(C[C@@H]2CCC[NH2+]C2)C1 575503655 352424120 /nfs/dbraw/zinc/42/41/20/352424120.db2.gz XHQNYVPBPCUBFR-LLVKDONJSA-N 1 1 180.295 1.248 10 30 ADEEMO N#C[C@@]1(CC2CC=CC2)CCC[NH2+]1 575505048 352429536 /nfs/dbraw/zinc/42/95/36/352429536.db2.gz RLEJAYXCFPCQKY-NSHDSACASA-N 1 1 176.263 1.988 10 30 ADEEMO N#C[C@]1(CC2CC=CC2)CCC[NH2+]1 575505040 352429622 /nfs/dbraw/zinc/42/96/22/352429622.db2.gz RLEJAYXCFPCQKY-LLVKDONJSA-N 1 1 176.263 1.988 10 30 ADEEMO C#C[C@H]([NH3+])c1csc(C(C)C)n1 575505709 352431618 /nfs/dbraw/zinc/43/16/18/352431618.db2.gz SCSMILHHAPZCPF-ZETCQYMHSA-N 1 1 180.276 1.900 10 30 ADEEMO C#C[C@@H]([NH3+])c1csc(C(C)C)n1 575505708 352431730 /nfs/dbraw/zinc/43/17/30/352431730.db2.gz SCSMILHHAPZCPF-SSDOTTSWSA-N 1 1 180.276 1.900 10 30 ADEEMO C[C@@H](C=O)[N@H+]1CC[C@@H](C)C[C@@H]1C 575506642 352436476 /nfs/dbraw/zinc/43/64/76/352436476.db2.gz AREDPOXLPWDVOS-UTLUCORTSA-N 1 1 169.268 1.694 10 30 ADEEMO C[C@H]1C[C@H](C)CC[N@@H+]1[C@H](C)C=O 575506639 352436766 /nfs/dbraw/zinc/43/67/66/352436766.db2.gz AREDPOXLPWDVOS-KXUCPTDWSA-N 1 1 169.268 1.694 10 30 ADEEMO C[C@@H](C=O)[N@H+]1CC[C@@H](C)C[C@H]1C 575506631 352436833 /nfs/dbraw/zinc/43/68/33/352436833.db2.gz AREDPOXLPWDVOS-BBBLOLIVSA-N 1 1 169.268 1.694 10 30 ADEEMO C[C@@H]1CC[N@H+]([C@H](C)C=O)[C@H](C)C1 575506640 352436904 /nfs/dbraw/zinc/43/69/04/352436904.db2.gz AREDPOXLPWDVOS-OPRDCNLKSA-N 1 1 169.268 1.694 10 30 ADEEMO C[C@@H](C=O)[N@H+]1CCC[C@@H](C)CC1 575507437 352441462 /nfs/dbraw/zinc/44/14/62/352441462.db2.gz FSYQDRVOFKLHAB-ZJUUUORDSA-N 1 1 169.268 1.696 10 30 ADEEMO C[C@H]1CCC[N@H+]([C@H](C)C=O)CC1 575507436 352441484 /nfs/dbraw/zinc/44/14/84/352441484.db2.gz FSYQDRVOFKLHAB-VHSXEESVSA-N 1 1 169.268 1.696 10 30 ADEEMO C[C@@H]1CCC[N@H+]([C@H](C)C=O)CC1 575507433 352441589 /nfs/dbraw/zinc/44/15/89/352441589.db2.gz FSYQDRVOFKLHAB-NXEZZACHSA-N 1 1 169.268 1.696 10 30 ADEEMO C[C@H]1CCC[N@H+]([C@@H](C)C=O)CC1 575507434 352441715 /nfs/dbraw/zinc/44/17/15/352441715.db2.gz FSYQDRVOFKLHAB-UWVGGRQHSA-N 1 1 169.268 1.696 10 30 ADEEMO C[C@H](C=O)[N@H+]1CCCCC[C@H]1C 575507779 352442941 /nfs/dbraw/zinc/44/29/41/352442941.db2.gz GDRRUGUGKXNUEU-NXEZZACHSA-N 1 1 169.268 1.838 10 30 ADEEMO C[C@@H](C=O)[N@H+]1CCCC[C@H]1C 575507790 352443048 /nfs/dbraw/zinc/44/30/48/352443048.db2.gz GDVXJHUESLKCGT-BDAKNGLRSA-N 1 1 155.241 1.448 10 30 ADEEMO C[C@@H](C=O)[N@H+]1CCCCC[C@@H]1C 575507783 352443091 /nfs/dbraw/zinc/44/30/91/352443091.db2.gz GDRRUGUGKXNUEU-UWVGGRQHSA-N 1 1 169.268 1.838 10 30 ADEEMO C[C@@H](C=O)[N@H+]1CCCCC[C@H]1C 575507787 352443154 /nfs/dbraw/zinc/44/31/54/352443154.db2.gz GDRRUGUGKXNUEU-ZJUUUORDSA-N 1 1 169.268 1.838 10 30 ADEEMO C[C@H]1CCCCC[N@@H+]1[C@H](C)C=O 575507785 352443339 /nfs/dbraw/zinc/44/33/39/352443339.db2.gz GDRRUGUGKXNUEU-VHSXEESVSA-N 1 1 169.268 1.838 10 30 ADEEMO C[C@H]1C[C@@H](C)C[N@H+]([C@H](C)C=O)[C@@H]1C 575507914 352443647 /nfs/dbraw/zinc/44/36/47/352443647.db2.gz GPFWBFNZSWXYAU-LMLFDSFASA-N 1 1 183.295 1.940 10 30 ADEEMO C[C@H]1C[C@@H](C)C[N@H+]([C@@H](C)C=O)[C@H]1C 575507923 352443848 /nfs/dbraw/zinc/44/38/48/352443848.db2.gz GPFWBFNZSWXYAU-RCWTZXSCSA-N 1 1 183.295 1.940 10 30 ADEEMO C[C@H]1CCCC[N@@H+]1[C@H](C)C=O 575507801 352443881 /nfs/dbraw/zinc/44/38/81/352443881.db2.gz GDVXJHUESLKCGT-DTWKUNHWSA-N 1 1 155.241 1.448 10 30 ADEEMO C[C@H](C=O)[N@H+]1CCCC[C@H]1C 575507804 352444043 /nfs/dbraw/zinc/44/40/43/352444043.db2.gz GDVXJHUESLKCGT-RKDXNWHRSA-N 1 1 155.241 1.448 10 30 ADEEMO C[C@@H](C=O)[N@H+]1CCCC[C@@H]1C 575507803 352444074 /nfs/dbraw/zinc/44/40/74/352444074.db2.gz GDVXJHUESLKCGT-IUCAKERBSA-N 1 1 155.241 1.448 10 30 ADEEMO C[C@H]1C[C@@H](C)C[N@H+]([C@H](C)C=O)[C@H]1C 575507927 352444429 /nfs/dbraw/zinc/44/44/29/352444429.db2.gz GPFWBFNZSWXYAU-YTWAJWBKSA-N 1 1 183.295 1.940 10 30 ADEEMO C[C@H]1C[C@@H](C)C[N@H+]([C@@H](C)C=O)[C@@H]1C 575507926 352444650 /nfs/dbraw/zinc/44/46/50/352444650.db2.gz GPFWBFNZSWXYAU-VPOLOUISSA-N 1 1 183.295 1.940 10 30 ADEEMO C[C@@H]1CCC[N@H+]([C@H](C)C=O)[C@@H]1C 575508249 352445862 /nfs/dbraw/zinc/44/58/62/352445862.db2.gz IAEXKPYOYZGKSE-OPRDCNLKSA-N 1 1 169.268 1.694 10 30 ADEEMO CC[C@H]1CC[N@H+]([C@H](C)C=O)C1 575508267 352446178 /nfs/dbraw/zinc/44/61/78/352446178.db2.gz IDMIQROSNUFKSG-BDAKNGLRSA-N 1 1 155.241 1.306 10 30 ADEEMO C[C@@H](C=O)[N@H+]1CCC[C@@H](C)[C@H]1C 575508245 352446217 /nfs/dbraw/zinc/44/62/17/352446217.db2.gz IAEXKPYOYZGKSE-KXUCPTDWSA-N 1 1 169.268 1.694 10 30 ADEEMO C[C@@H](C=O)[N@H+]1CCC[C@@H](C)[C@@H]1C 575508252 352446345 /nfs/dbraw/zinc/44/63/45/352446345.db2.gz IAEXKPYOYZGKSE-UTLUCORTSA-N 1 1 169.268 1.694 10 30 ADEEMO C[C@H]1[C@H](C)CCC[N@@H+]1[C@H](C)C=O 575508241 352446372 /nfs/dbraw/zinc/44/63/72/352446372.db2.gz IAEXKPYOYZGKSE-BBBLOLIVSA-N 1 1 169.268 1.694 10 30 ADEEMO CC[C@H]1CC[N@H+]([C@@H](C)C=O)C1 575508270 352446381 /nfs/dbraw/zinc/44/63/81/352446381.db2.gz IDMIQROSNUFKSG-IUCAKERBSA-N 1 1 155.241 1.306 10 30 ADEEMO CC[C@@H]1CC[N@H+]([C@H](C)C=O)C1 575508272 352446441 /nfs/dbraw/zinc/44/64/41/352446441.db2.gz IDMIQROSNUFKSG-RKDXNWHRSA-N 1 1 155.241 1.306 10 30 ADEEMO CC[C@@H]1CC[N@H+]([C@@H](C)C=O)C1 575508268 352446450 /nfs/dbraw/zinc/44/64/50/352446450.db2.gz IDMIQROSNUFKSG-DTWKUNHWSA-N 1 1 155.241 1.306 10 30 ADEEMO C[C@H](C=O)[N@@H+]1CCSC(C)(C)C1 575508572 352448231 /nfs/dbraw/zinc/44/82/31/352448231.db2.gz JIQJMEVMQGJLSL-MRVPVSSYSA-N 1 1 187.308 1.401 10 30 ADEEMO C[C@H](C=O)[N@H+]1CCSC(C)(C)C1 575508572 352448235 /nfs/dbraw/zinc/44/82/35/352448235.db2.gz JIQJMEVMQGJLSL-MRVPVSSYSA-N 1 1 187.308 1.401 10 30 ADEEMO CC[C@@H]1CCC[N@H+]1[C@@H](C)C=O 575508591 352448390 /nfs/dbraw/zinc/44/83/90/352448390.db2.gz JLTOLOHYDMIQJM-DTWKUNHWSA-N 1 1 155.241 1.448 10 30 ADEEMO C[C@@H](C=O)[N@@H+]1CCSC(C)(C)C1 575508573 352448407 /nfs/dbraw/zinc/44/84/07/352448407.db2.gz JIQJMEVMQGJLSL-QMMMGPOBSA-N 1 1 187.308 1.401 10 30 ADEEMO C[C@@H](C=O)[N@H+]1CCSC(C)(C)C1 575508573 352448409 /nfs/dbraw/zinc/44/84/09/352448409.db2.gz JIQJMEVMQGJLSL-QMMMGPOBSA-N 1 1 187.308 1.401 10 30 ADEEMO CC[C@H]1CCC[N@H+]1[C@H](C)C=O 575508590 352448420 /nfs/dbraw/zinc/44/84/20/352448420.db2.gz JLTOLOHYDMIQJM-BDAKNGLRSA-N 1 1 155.241 1.448 10 30 ADEEMO CC[C@@H]1CCC[N@H+]1[C@H](C)C=O 575508593 352448466 /nfs/dbraw/zinc/44/84/66/352448466.db2.gz JLTOLOHYDMIQJM-RKDXNWHRSA-N 1 1 155.241 1.448 10 30 ADEEMO CC[C@H]1CCC[N@H+]1[C@@H](C)C=O 575508592 352448536 /nfs/dbraw/zinc/44/85/36/352448536.db2.gz JLTOLOHYDMIQJM-IUCAKERBSA-N 1 1 155.241 1.448 10 30 ADEEMO C[C@H]([C@H](N)C#N)[NH+]1CCCCCC1 575508739 352449087 /nfs/dbraw/zinc/44/90/87/352449087.db2.gz KOTOXLCHEJGPDG-NXEZZACHSA-N 1 1 181.283 1.102 10 30 ADEEMO C[C@H]([C@@H](N)C#N)[NH+]1CCCCCC1 575508947 352450502 /nfs/dbraw/zinc/45/05/02/352450502.db2.gz KOTOXLCHEJGPDG-ZJUUUORDSA-N 1 1 181.283 1.102 10 30 ADEEMO C[C@@H]([C@@H](N)C#N)[NH+]1CCCCCC1 575508945 352450402 /nfs/dbraw/zinc/45/04/02/352450402.db2.gz KOTOXLCHEJGPDG-UWVGGRQHSA-N 1 1 181.283 1.102 10 30 ADEEMO C[C@@H]([C@H](N)C#N)[NH+]1CCCCCC1 575508946 352450416 /nfs/dbraw/zinc/45/04/16/352450416.db2.gz KOTOXLCHEJGPDG-VHSXEESVSA-N 1 1 181.283 1.102 10 30 ADEEMO C[C@@H]1SCC[N@@H+]([C@H](C)C=O)[C@@H]1C 575508970 352450451 /nfs/dbraw/zinc/45/04/51/352450451.db2.gz LBHVZTIOLCYCJQ-HLTSFMKQSA-N 1 1 187.308 1.400 10 30 ADEEMO C[C@@H]1SCC[N@H+]([C@H](C)C=O)[C@@H]1C 575508970 352450453 /nfs/dbraw/zinc/45/04/53/352450453.db2.gz LBHVZTIOLCYCJQ-HLTSFMKQSA-N 1 1 187.308 1.400 10 30 ADEEMO C[C@@H]1SCC[N@@H+]([C@H](C)C=O)[C@H]1C 575508971 352450518 /nfs/dbraw/zinc/45/05/18/352450518.db2.gz LBHVZTIOLCYCJQ-VGMNWLOBSA-N 1 1 187.308 1.400 10 30 ADEEMO C[C@@H]1SCC[N@H+]([C@H](C)C=O)[C@H]1C 575508971 352450520 /nfs/dbraw/zinc/45/05/20/352450520.db2.gz LBHVZTIOLCYCJQ-VGMNWLOBSA-N 1 1 187.308 1.400 10 30 ADEEMO C[C@@H]1SCC[N@@H+]([C@@H](C)C=O)[C@@H]1C 575508972 352450525 /nfs/dbraw/zinc/45/05/25/352450525.db2.gz LBHVZTIOLCYCJQ-YIZRAAEISA-N 1 1 187.308 1.400 10 30 ADEEMO C[C@@H]1SCC[N@H+]([C@@H](C)C=O)[C@@H]1C 575508972 352450526 /nfs/dbraw/zinc/45/05/26/352450526.db2.gz LBHVZTIOLCYCJQ-YIZRAAEISA-N 1 1 187.308 1.400 10 30 ADEEMO C[C@@H]1SCC[N@@H+]([C@@H](C)C=O)[C@H]1C 575508969 352450587 /nfs/dbraw/zinc/45/05/87/352450587.db2.gz LBHVZTIOLCYCJQ-CIUDSAMLSA-N 1 1 187.308 1.400 10 30 ADEEMO C[C@@H]1SCC[N@H+]([C@@H](C)C=O)[C@H]1C 575508969 352450589 /nfs/dbraw/zinc/45/05/89/352450589.db2.gz LBHVZTIOLCYCJQ-CIUDSAMLSA-N 1 1 187.308 1.400 10 30 ADEEMO C[C@@H]1C[C@@H](C)[N@@H+]([C@H](C)C=O)C1 575509017 352451128 /nfs/dbraw/zinc/45/11/28/352451128.db2.gz LOWKYZJXSAXLCO-IWSPIJDZSA-N 1 1 155.241 1.304 10 30 ADEEMO C[C@@H](C=O)[N@H+]1C[C@H](C)C[C@H]1C 575509012 352451325 /nfs/dbraw/zinc/45/13/25/352451325.db2.gz LOWKYZJXSAXLCO-HLTSFMKQSA-N 1 1 155.241 1.304 10 30 ADEEMO C[C@@H](C=O)[N@H+]1C[C@H](C)C[C@@H]1C 575509019 352451336 /nfs/dbraw/zinc/45/13/36/352451336.db2.gz LOWKYZJXSAXLCO-VGMNWLOBSA-N 1 1 155.241 1.304 10 30 ADEEMO C[C@H]1C[C@@H](C)C[N@@H+]1[C@H](C)C=O 575509015 352451506 /nfs/dbraw/zinc/45/15/06/352451506.db2.gz LOWKYZJXSAXLCO-HRDYMLBCSA-N 1 1 155.241 1.304 10 30 ADEEMO C[C@H](C=O)[N@H+]1CCC2(CCCC2)C1 575509490 352453676 /nfs/dbraw/zinc/45/36/76/352453676.db2.gz NRWYYMBTALYCHR-SNVBAGLBSA-N 1 1 181.279 1.840 10 30 ADEEMO C[C@@H](C=O)[N@H+]1CCCC1(C)C 575509481 352453765 /nfs/dbraw/zinc/45/37/65/352453765.db2.gz NOHCCYUERHTSTO-QMMMGPOBSA-N 1 1 155.241 1.448 10 30 ADEEMO C[C@@H](C=O)[N@H+]1CCC2(CCCC2)C1 575509489 352454169 /nfs/dbraw/zinc/45/41/69/352454169.db2.gz NRWYYMBTALYCHR-JTQLQIEISA-N 1 1 181.279 1.840 10 30 ADEEMO C[C@H](C=O)[N@H+]1CCCC1(C)C 575509479 352454216 /nfs/dbraw/zinc/45/42/16/352454216.db2.gz NOHCCYUERHTSTO-MRVPVSSYSA-N 1 1 155.241 1.448 10 30 ADEEMO C[C@@H](C=O)[N@H+]1CCCC12CCCC2 575509725 352455111 /nfs/dbraw/zinc/45/51/11/352455111.db2.gz OHKPPCGHYJRRGZ-JTQLQIEISA-N 1 1 181.279 1.982 10 30 ADEEMO C[C@@H](C=O)[N@H+]1C[C@H](C)CC[C@H]1C 575509793 352455151 /nfs/dbraw/zinc/45/51/51/352455151.db2.gz PXXYEZNDDZDNGA-BBBLOLIVSA-N 1 1 169.268 1.694 10 30 ADEEMO C[C@@H](C=O)[N@H+]1C[C@H](C)CC[C@@H]1C 575509798 352455184 /nfs/dbraw/zinc/45/51/84/352455184.db2.gz PXXYEZNDDZDNGA-UTLUCORTSA-N 1 1 169.268 1.694 10 30 ADEEMO C[C@H]1CC[C@@H](C)C[N@@H+]1[C@H](C)C=O 575509795 352455288 /nfs/dbraw/zinc/45/52/88/352455288.db2.gz PXXYEZNDDZDNGA-KXUCPTDWSA-N 1 1 169.268 1.694 10 30 ADEEMO C[C@@H]1CC[C@@H](C)[N@@H+]([C@H](C)C=O)C1 575509796 352455493 /nfs/dbraw/zinc/45/54/93/352455493.db2.gz PXXYEZNDDZDNGA-OPRDCNLKSA-N 1 1 169.268 1.694 10 30 ADEEMO C[C@H](C=O)[N@H+]1CCCC12CCCC2 575509726 352455508 /nfs/dbraw/zinc/45/55/08/352455508.db2.gz OHKPPCGHYJRRGZ-SNVBAGLBSA-N 1 1 181.279 1.982 10 30 ADEEMO C[C@H](C=O)[N@H+]1CC[C@@H]2CCCC[C@H]21 575509854 352456163 /nfs/dbraw/zinc/45/61/63/352456163.db2.gz QBOUDTULYOHFQC-OUAUKWLOSA-N 1 1 181.279 1.838 10 30 ADEEMO C[C@H](C=O)[N@H+]1CC[C@H]2CCCC[C@H]21 575509850 352456187 /nfs/dbraw/zinc/45/61/87/352456187.db2.gz QBOUDTULYOHFQC-GMTAPVOTSA-N 1 1 181.279 1.838 10 30 ADEEMO C[C@H](C=O)[N@H+]1CC[C@@H]2CCCC[C@@H]21 575509857 352456247 /nfs/dbraw/zinc/45/62/47/352456247.db2.gz QBOUDTULYOHFQC-VWYCJHECSA-N 1 1 181.279 1.838 10 30 ADEEMO C[C@H](C=O)[N@H+]1CC[C@H]2CCCC[C@@H]21 575509852 352456511 /nfs/dbraw/zinc/45/65/11/352456511.db2.gz QBOUDTULYOHFQC-MXWKQRLJSA-N 1 1 181.279 1.838 10 30 ADEEMO C[C@@H]([C@@H](N)C#N)[N@H+]1CCCC1(C)C 575509924 352457097 /nfs/dbraw/zinc/45/70/97/352457097.db2.gz RAFPDPNDAPRVMG-IUCAKERBSA-N 1 1 181.283 1.100 10 30 ADEEMO C[C@@H](C=O)[N@@H+](C)C1CCCC1 575510042 352457102 /nfs/dbraw/zinc/45/71/02/352457102.db2.gz SSFGJRVJOJNKRH-QMMMGPOBSA-N 1 1 155.241 1.448 10 30 ADEEMO C[C@H]([C@H](N)C#N)[N@H+]1CCCC1(C)C 575509925 352457139 /nfs/dbraw/zinc/45/71/39/352457139.db2.gz RAFPDPNDAPRVMG-RKDXNWHRSA-N 1 1 181.283 1.100 10 30 ADEEMO C[C@H]([C@@H](N)C#N)[N@H+]1CCCC1(C)C 575509922 352457180 /nfs/dbraw/zinc/45/71/80/352457180.db2.gz RAFPDPNDAPRVMG-BDAKNGLRSA-N 1 1 181.283 1.100 10 30 ADEEMO C[C@@H](C=O)[N@H+]1CCC(C)(C)C1 575509960 352457193 /nfs/dbraw/zinc/45/71/93/352457193.db2.gz RNGCIQOCBHFGHW-QMMMGPOBSA-N 1 1 155.241 1.306 10 30 ADEEMO C[C@H](C=O)[N@@H+](C)C1CCCC1 575510041 352457198 /nfs/dbraw/zinc/45/71/98/352457198.db2.gz SSFGJRVJOJNKRH-MRVPVSSYSA-N 1 1 155.241 1.448 10 30 ADEEMO C[C@H]1C[N@@H+]([C@@H](C)C=O)C[C@@H](C)S1 575510002 352457214 /nfs/dbraw/zinc/45/72/14/352457214.db2.gz SFRUIRYVDYJCLT-XHNCKOQMSA-N 1 1 187.308 1.400 10 30 ADEEMO C[C@H]1C[N@H+]([C@@H](C)C=O)C[C@@H](C)S1 575510002 352457216 /nfs/dbraw/zinc/45/72/16/352457216.db2.gz SFRUIRYVDYJCLT-XHNCKOQMSA-N 1 1 187.308 1.400 10 30 ADEEMO C[C@@H]1C[NH+]([C@H](C)C=O)C[C@@H](C)S1 575510001 352457367 /nfs/dbraw/zinc/45/73/67/352457367.db2.gz SFRUIRYVDYJCLT-IWSPIJDZSA-N 1 1 187.308 1.400 10 30 ADEEMO C[C@@H]([C@H](N)C#N)[N@H+]1CCCC1(C)C 575509923 352457435 /nfs/dbraw/zinc/45/74/35/352457435.db2.gz RAFPDPNDAPRVMG-DTWKUNHWSA-N 1 1 181.283 1.100 10 30 ADEEMO C[C@H]1C[N@@H+]([C@H](C)C=O)C[C@@H](C)S1 575510000 352457478 /nfs/dbraw/zinc/45/74/78/352457478.db2.gz SFRUIRYVDYJCLT-HLTSFMKQSA-N 1 1 187.308 1.400 10 30 ADEEMO C[C@H]1C[N@H+]([C@H](C)C=O)C[C@@H](C)S1 575510000 352457479 /nfs/dbraw/zinc/45/74/79/352457479.db2.gz SFRUIRYVDYJCLT-HLTSFMKQSA-N 1 1 187.308 1.400 10 30 ADEEMO C[C@H](C=O)[N@H+]1CCC(C)(C)C1 575509959 352457519 /nfs/dbraw/zinc/45/75/19/352457519.db2.gz RNGCIQOCBHFGHW-MRVPVSSYSA-N 1 1 155.241 1.306 10 30 ADEEMO C[C@@H](C=O)[NH+]1C[C@@H](C)S[C@H](C)C1 575509999 352457585 /nfs/dbraw/zinc/45/75/85/352457585.db2.gz SFRUIRYVDYJCLT-DJLDLDEBSA-N 1 1 187.308 1.400 10 30 ADEEMO C[C@H](C=O)[N@H+]1C[C@H]2CCCC[C@H]2C1 575510075 352457925 /nfs/dbraw/zinc/45/79/25/352457925.db2.gz USJMOVDVGNMYIR-MXWKQRLJSA-N 1 1 181.279 1.696 10 30 ADEEMO C[C@@H](C=O)[N@H+]1C[C@H]2CCCC[C@H]2C1 575510073 352457976 /nfs/dbraw/zinc/45/79/76/352457976.db2.gz USJMOVDVGNMYIR-GARJFASQSA-N 1 1 181.279 1.696 10 30 ADEEMO C[C@H](C=O)[N@H+]1CCCOC(C)(C)C1 575510054 352457986 /nfs/dbraw/zinc/45/79/86/352457986.db2.gz UBDRYFYUURDGFO-SECBINFHSA-N 1 1 185.267 1.075 10 30 ADEEMO C[C@H](C=O)[N@H+]1CCCC(C)(C)C1 575510056 352458056 /nfs/dbraw/zinc/45/80/56/352458056.db2.gz UCHRRMSURPNMKB-SECBINFHSA-N 1 1 169.268 1.696 10 30 ADEEMO C[C@@H](C=O)[N@H+]1CCCC(C)(C)C1 575510057 352458105 /nfs/dbraw/zinc/45/81/05/352458105.db2.gz UCHRRMSURPNMKB-VIFPVBQESA-N 1 1 169.268 1.696 10 30 ADEEMO C[C@@H](C=O)[N@H+]1CCCOC(C)(C)C1 575510055 352458131 /nfs/dbraw/zinc/45/81/31/352458131.db2.gz UBDRYFYUURDGFO-VIFPVBQESA-N 1 1 185.267 1.075 10 30 ADEEMO C[C@@H](C=O)[N@@H+](C)C1CCC1 575510078 352458199 /nfs/dbraw/zinc/45/81/99/352458199.db2.gz UTDISVDPRKTSOQ-ZETCQYMHSA-N 1 1 141.214 1.058 10 30 ADEEMO C[C@H](C=O)[N@@H+](C)C1CCC1 575510077 352458325 /nfs/dbraw/zinc/45/83/25/352458325.db2.gz UTDISVDPRKTSOQ-SSDOTTSWSA-N 1 1 141.214 1.058 10 30 ADEEMO C[C@@H]([C@H](N)C#N)[N@@H+]1CCCC[C@H]1C 575510239 352458951 /nfs/dbraw/zinc/45/89/51/352458951.db2.gz YLHTXKRZAUKMGL-KXUCPTDWSA-N 1 1 181.283 1.100 10 30 ADEEMO C[C@@H](C=O)[N@H+]1CCC[C@@H](C)C1 575510200 352458683 /nfs/dbraw/zinc/45/86/83/352458683.db2.gz XTSNPUPPWFSMFC-BDAKNGLRSA-N 1 1 155.241 1.306 10 30 ADEEMO C[C@@H](C=O)[N@H+]1CC[C@@H](C)[C@H]1C 575510422 352460560 /nfs/dbraw/zinc/46/05/60/352460560.db2.gz DMMSDVWQPHXDHA-HRDYMLBCSA-N 1 1 155.241 1.304 10 30 ADEEMO C[C@@H]1C[N@@H+]([C@H](C)C=O)CCS1 575511846 352468592 /nfs/dbraw/zinc/46/85/92/352468592.db2.gz XBCJEBDACDCHKI-HTQZYQBOSA-N 1 1 173.281 1.011 10 30 ADEEMO C[C@@H]([C@H](N)C#N)[N@H+]1CCCC[C@H]1C 575510239 352458953 /nfs/dbraw/zinc/45/89/53/352458953.db2.gz YLHTXKRZAUKMGL-KXUCPTDWSA-N 1 1 181.283 1.100 10 30 ADEEMO C[C@@H]1CCCC[N@H+]1[C@H](C)[C@@H](N)C#N 575510238 352458971 /nfs/dbraw/zinc/45/89/71/352458971.db2.gz YLHTXKRZAUKMGL-BBBLOLIVSA-N 1 1 181.283 1.100 10 30 ADEEMO C[C@@H]1CCCC[N@@H+]1[C@H](C)[C@@H](N)C#N 575510238 352458975 /nfs/dbraw/zinc/45/89/75/352458975.db2.gz YLHTXKRZAUKMGL-BBBLOLIVSA-N 1 1 181.283 1.100 10 30 ADEEMO C[C@@H]1CCCC[N@H+]1[C@H](C)[C@H](N)C#N 575510240 352458984 /nfs/dbraw/zinc/45/89/84/352458984.db2.gz YLHTXKRZAUKMGL-OPRDCNLKSA-N 1 1 181.283 1.100 10 30 ADEEMO C[C@@H]1CCCC[N@@H+]1[C@H](C)[C@H](N)C#N 575510240 352458988 /nfs/dbraw/zinc/45/89/88/352458988.db2.gz YLHTXKRZAUKMGL-OPRDCNLKSA-N 1 1 181.283 1.100 10 30 ADEEMO C[C@@H]([C@@H](N)C#N)[N@@H+]1CCCC[C@H]1C 575510241 352459058 /nfs/dbraw/zinc/45/90/58/352459058.db2.gz YLHTXKRZAUKMGL-UTLUCORTSA-N 1 1 181.283 1.100 10 30 ADEEMO C[C@@H]([C@@H](N)C#N)[N@H+]1CCCC[C@H]1C 575510241 352459060 /nfs/dbraw/zinc/45/90/60/352459060.db2.gz YLHTXKRZAUKMGL-UTLUCORTSA-N 1 1 181.283 1.100 10 30 ADEEMO C[C@H]1CCC[N@H+]([C@@H](C)C=O)C1 575510202 352459076 /nfs/dbraw/zinc/45/90/76/352459076.db2.gz XTSNPUPPWFSMFC-IUCAKERBSA-N 1 1 155.241 1.306 10 30 ADEEMO C[C@H]1CCC[N@H+]([C@H](C)C=O)C1 575510201 352459097 /nfs/dbraw/zinc/45/90/97/352459097.db2.gz XTSNPUPPWFSMFC-DTWKUNHWSA-N 1 1 155.241 1.306 10 30 ADEEMO C[C@@H]1C[N@@H+]([C@H](C)C=O)C[C@@H]1C 575510243 352459109 /nfs/dbraw/zinc/45/91/09/352459109.db2.gz YRKRBZOJUKOGIF-HRDYMLBCSA-N 1 1 155.241 1.162 10 30 ADEEMO C[C@@H]1C[N@@H+]([C@@H](C)C=O)C[C@@H]1C 575510245 352459125 /nfs/dbraw/zinc/45/91/25/352459125.db2.gz YRKRBZOJUKOGIF-YIZRAAEISA-N 1 1 155.241 1.162 10 30 ADEEMO C[C@@H]1CCC[N@H+]([C@H](C)C=O)C1 575510203 352459150 /nfs/dbraw/zinc/45/91/50/352459150.db2.gz XTSNPUPPWFSMFC-RKDXNWHRSA-N 1 1 155.241 1.306 10 30 ADEEMO C[C@H]1CCC[N@@H+]1[C@H](C)C=O 575510309 352459499 /nfs/dbraw/zinc/45/94/99/352459499.db2.gz ZSXUWOLGECHAMZ-JGVFFNPUSA-N 1 1 141.214 1.058 10 30 ADEEMO C[C@H](C=O)[N@H+]1CCC[C@@H]2CCC[C@H]21 575510322 352459517 /nfs/dbraw/zinc/45/95/17/352459517.db2.gz ZXRBOXAGAFHZNG-OUAUKWLOSA-N 1 1 181.279 1.838 10 30 ADEEMO C[C@@H](C=O)[N@H+]1CCC[C@H]1C 575510310 352459609 /nfs/dbraw/zinc/45/96/09/352459609.db2.gz ZSXUWOLGECHAMZ-SFYZADRCSA-N 1 1 141.214 1.058 10 30 ADEEMO C[C@H](C=O)[N@H+]1CCC[C@@H]2CCC[C@@H]21 575510323 352459690 /nfs/dbraw/zinc/45/96/90/352459690.db2.gz ZXRBOXAGAFHZNG-VWYCJHECSA-N 1 1 181.279 1.838 10 30 ADEEMO C[C@H](C=O)[N@H+]1CCC[C@H]2CCC[C@H]21 575510320 352459709 /nfs/dbraw/zinc/45/97/09/352459709.db2.gz ZXRBOXAGAFHZNG-GMTAPVOTSA-N 1 1 181.279 1.838 10 30 ADEEMO C[C@H](C=O)[N@H+]1CCC[C@H]1C 575510308 352459808 /nfs/dbraw/zinc/45/98/08/352459808.db2.gz ZSXUWOLGECHAMZ-HTQZYQBOSA-N 1 1 141.214 1.058 10 30 ADEEMO C[C@@H](C=O)[N@H+]1CC[C@@H](C)[C@@H](C)C1 575510391 352460412 /nfs/dbraw/zinc/46/04/12/352460412.db2.gz CDXIDFJELDPLHP-UTLUCORTSA-N 1 1 169.268 1.552 10 30 ADEEMO C[C@@H](C=O)[N@H+]1CCC[C@@H]1C 575510311 352459911 /nfs/dbraw/zinc/45/99/11/352459911.db2.gz ZSXUWOLGECHAMZ-YUMQZZPRSA-N 1 1 141.214 1.058 10 30 ADEEMO C[C@H](C=O)[N@H+]1CCC[C@H]2CCC[C@@H]21 575510321 352459932 /nfs/dbraw/zinc/45/99/32/352459932.db2.gz ZXRBOXAGAFHZNG-MXWKQRLJSA-N 1 1 181.279 1.838 10 30 ADEEMO C[C@H]1C[N@@H+]([C@@H](C)C=O)CCS1 575511849 352468762 /nfs/dbraw/zinc/46/87/62/352468762.db2.gz XBCJEBDACDCHKI-YUMQZZPRSA-N 1 1 173.281 1.011 10 30 ADEEMO C[C@@H]1C[N@H+]([C@H](C)C=O)[C@H](C)[C@@H]1C 575510529 352460459 /nfs/dbraw/zinc/46/04/59/352460459.db2.gz DXQHFKDKQKLXCZ-ZYUZMQFOSA-N 1 1 169.268 1.550 10 30 ADEEMO C[C@@H]1C[N@@H+]([C@H](C)C=O)CC[C@H]1C 575510390 352460463 /nfs/dbraw/zinc/46/04/63/352460463.db2.gz CDXIDFJELDPLHP-OPRDCNLKSA-N 1 1 169.268 1.552 10 30 ADEEMO C[C@@H]1C[N@@H+]([C@@H](C)C=O)CC[C@H]1C 575510388 352460472 /nfs/dbraw/zinc/46/04/72/352460472.db2.gz CDXIDFJELDPLHP-BBBLOLIVSA-N 1 1 169.268 1.552 10 30 ADEEMO C[C@@H]1CC[N@H+]([C@H](C)C=O)C[C@@H]1C 575510389 352460489 /nfs/dbraw/zinc/46/04/89/352460489.db2.gz CDXIDFJELDPLHP-KXUCPTDWSA-N 1 1 169.268 1.552 10 30 ADEEMO C[C@H](C=O)[N@@H+]1C[C@H]2CCC[C@H]2C1 575510546 352460522 /nfs/dbraw/zinc/46/05/22/352460522.db2.gz FRFQRJHTTNWFBO-BBBLOLIVSA-N 1 1 167.252 1.306 10 30 ADEEMO Cc1[nH+]cn([C@@H](C)C=O)c1C 575510507 352460529 /nfs/dbraw/zinc/46/05/29/352460529.db2.gz DSJBLLOXYIXQDW-LURJTMIESA-N 1 1 152.197 1.260 10 30 ADEEMO C[C@@H](C=O)[N@H+]1CC[C@@H](C)[C@@H]1C 575510505 352460535 /nfs/dbraw/zinc/46/05/35/352460535.db2.gz DMMSDVWQPHXDHA-VGMNWLOBSA-N 1 1 155.241 1.304 10 30 ADEEMO C[C@@H]1C[N@H+]([C@H](C)C=O)[C@@H](C)[C@@H]1C 575510528 352460547 /nfs/dbraw/zinc/46/05/47/352460547.db2.gz DXQHFKDKQKLXCZ-KYXWUPHJSA-N 1 1 169.268 1.550 10 30 ADEEMO C[C@@H]1C[N@H+]([C@H](C)C=O)[C@H](C)[C@H]1C 575510526 352460581 /nfs/dbraw/zinc/46/05/81/352460581.db2.gz DXQHFKDKQKLXCZ-DOLQZWNJSA-N 1 1 169.268 1.550 10 30 ADEEMO C[C@@H]1CC[N@H+]([C@H](C)C=O)[C@@H]1C 575510423 352460591 /nfs/dbraw/zinc/46/05/91/352460591.db2.gz DMMSDVWQPHXDHA-IWSPIJDZSA-N 1 1 155.241 1.304 10 30 ADEEMO C[C@H]1[C@H](C)CC[N@@H+]1[C@H](C)C=O 575510421 352460637 /nfs/dbraw/zinc/46/06/37/352460637.db2.gz DMMSDVWQPHXDHA-HLTSFMKQSA-N 1 1 155.241 1.304 10 30 ADEEMO C[C@H](C=O)[N@H+]1CCC2(CCC2)C1 575510635 352461537 /nfs/dbraw/zinc/46/15/37/352461537.db2.gz ICLDKESUFZYLOT-SECBINFHSA-N 1 1 167.252 1.450 10 30 ADEEMO C[C@@H]1CC[N@@H+]([C@H](C)C=O)CCS1 575510590 352461101 /nfs/dbraw/zinc/46/11/01/352461101.db2.gz HAQATLCUHOGVOL-RKDXNWHRSA-N 1 1 187.308 1.401 10 30 ADEEMO C[C@H]1CC[N@@H+]([C@H](C)C=O)CCS1 575510587 352461196 /nfs/dbraw/zinc/46/11/96/352461196.db2.gz HAQATLCUHOGVOL-BDAKNGLRSA-N 1 1 187.308 1.401 10 30 ADEEMO C[C@H]1CC[N@@H+]([C@@H](C)C=O)CCS1 575510589 352461270 /nfs/dbraw/zinc/46/12/70/352461270.db2.gz HAQATLCUHOGVOL-IUCAKERBSA-N 1 1 187.308 1.401 10 30 ADEEMO C[C@@H](C=O)n1c[nH+]c2c1CCCC2 575510623 352461288 /nfs/dbraw/zinc/46/12/88/352461288.db2.gz HUQKWYASCUHDLP-QMMMGPOBSA-N 1 1 178.235 1.522 10 30 ADEEMO C[C@@H](C=O)[N@H+]1CCS[C@H](C)CC1 575510588 352461378 /nfs/dbraw/zinc/46/13/78/352461378.db2.gz HAQATLCUHOGVOL-DTWKUNHWSA-N 1 1 187.308 1.401 10 30 ADEEMO CCc1[nH+]ccn1[C@H](C)C=O 575510660 352461467 /nfs/dbraw/zinc/46/14/67/352461467.db2.gz ISPQMZZEFALMBO-SSDOTTSWSA-N 1 1 152.197 1.205 10 30 ADEEMO C[C@@H](C=O)[N@H+]1CCC2(CCC2)C1 575510636 352461521 /nfs/dbraw/zinc/46/15/21/352461521.db2.gz ICLDKESUFZYLOT-VIFPVBQESA-N 1 1 167.252 1.450 10 30 ADEEMO CCc1[nH+]ccn1[C@@H](C)C=O 575510661 352461560 /nfs/dbraw/zinc/46/15/60/352461560.db2.gz ISPQMZZEFALMBO-ZETCQYMHSA-N 1 1 152.197 1.205 10 30 ADEEMO C[C@@H]1C[N@H+]([C@@H](C)C=O)C(C)(C)C1 575510759 352461939 /nfs/dbraw/zinc/46/19/39/352461939.db2.gz MFONBGBVZKEKRD-IUCAKERBSA-N 1 1 169.268 1.694 10 30 ADEEMO C[C@@H]1C[N@H+]([C@H](C)C=O)C(C)(C)C1 575510758 352461953 /nfs/dbraw/zinc/46/19/53/352461953.db2.gz MFONBGBVZKEKRD-DTWKUNHWSA-N 1 1 169.268 1.694 10 30 ADEEMO C[C@@H](C=O)[N@@H+](C)[C@H]1CCSC1 575510789 352462053 /nfs/dbraw/zinc/46/20/53/352462053.db2.gz MXTLIWFVKKWGPK-YUMQZZPRSA-N 1 1 173.281 1.011 10 30 ADEEMO C[C@@H](C=O)[N@H+]1CC[C@@H](C)O[C@H](C)C1 575510795 352462079 /nfs/dbraw/zinc/46/20/79/352462079.db2.gz NCHMOCJPLSLWCR-IVZWLZJFSA-N 1 1 185.267 1.073 10 30 ADEEMO CS[C@H]1CC[N@H+]([C@H](C)C=O)C1 575510742 352462124 /nfs/dbraw/zinc/46/21/24/352462124.db2.gz LVGTXOBZFVKSHL-SFYZADRCSA-N 1 1 173.281 1.011 10 30 ADEEMO C[C@H]1C[N@H+]([C@H](C)C=O)C(C)(C)C1 575510760 352462149 /nfs/dbraw/zinc/46/21/49/352462149.db2.gz MFONBGBVZKEKRD-RKDXNWHRSA-N 1 1 169.268 1.694 10 30 ADEEMO C[C@@H](C=O)[N@H+]1CC2CCC1CC2 575510897 352462162 /nfs/dbraw/zinc/46/21/62/352462162.db2.gz NMPIXLAOVQNTFG-IDKOKCKLSA-N 1 1 167.252 1.448 10 30 ADEEMO C[C@H]1C[N@@H+]([C@H](C)C=O)CC[C@@H](C)O1 575510794 352462199 /nfs/dbraw/zinc/46/21/99/352462199.db2.gz NCHMOCJPLSLWCR-BBBLOLIVSA-N 1 1 185.267 1.073 10 30 ADEEMO C[C@@H](C=O)[N@@H+](C)[C@@H]1CCSC1 575510787 352462250 /nfs/dbraw/zinc/46/22/50/352462250.db2.gz MXTLIWFVKKWGPK-JGVFFNPUSA-N 1 1 173.281 1.011 10 30 ADEEMO C[C@@H](C=O)[N@H+]1C[C@H](C)CC1(C)C 575510757 352462261 /nfs/dbraw/zinc/46/22/61/352462261.db2.gz MFONBGBVZKEKRD-BDAKNGLRSA-N 1 1 169.268 1.694 10 30 ADEEMO C[C@H](C=O)[N@H+]1CC2CCC1CC2 575510899 352462280 /nfs/dbraw/zinc/46/22/80/352462280.db2.gz NMPIXLAOVQNTFG-XNWIYYODSA-N 1 1 167.252 1.448 10 30 ADEEMO CS[C@@H]1CC[N@H+]([C@@H](C)C=O)C1 575510741 352462356 /nfs/dbraw/zinc/46/23/56/352462356.db2.gz LVGTXOBZFVKSHL-JGVFFNPUSA-N 1 1 173.281 1.011 10 30 ADEEMO C[C@H](C=O)[N@@H+](C)[C@H]1CCSC1 575510788 352462365 /nfs/dbraw/zinc/46/23/65/352462365.db2.gz MXTLIWFVKKWGPK-SFYZADRCSA-N 1 1 173.281 1.011 10 30 ADEEMO C[C@H](C=O)[N@@H+](C)[C@@H]1CCSC1 575510786 352462402 /nfs/dbraw/zinc/46/24/02/352462402.db2.gz MXTLIWFVKKWGPK-HTQZYQBOSA-N 1 1 173.281 1.011 10 30 ADEEMO CS[C@@H]1CC[N@H+]([C@H](C)C=O)C1 575510740 352462431 /nfs/dbraw/zinc/46/24/31/352462431.db2.gz LVGTXOBZFVKSHL-HTQZYQBOSA-N 1 1 173.281 1.011 10 30 ADEEMO C[C@@H]1CC[N@H+]([C@H](C)C=O)C[C@@H](C)O1 575510796 352462440 /nfs/dbraw/zinc/46/24/40/352462440.db2.gz NCHMOCJPLSLWCR-OPRDCNLKSA-N 1 1 185.267 1.073 10 30 ADEEMO CS[C@H]1CC[N@H+]([C@@H](C)C=O)C1 575510743 352462489 /nfs/dbraw/zinc/46/24/89/352462489.db2.gz LVGTXOBZFVKSHL-YUMQZZPRSA-N 1 1 173.281 1.011 10 30 ADEEMO C[C@H]1C[N@@H+]([C@@H](C)C=O)CC[C@@H](C)O1 575510793 352462516 /nfs/dbraw/zinc/46/25/16/352462516.db2.gz NCHMOCJPLSLWCR-AEJSXWLSSA-N 1 1 185.267 1.073 10 30 ADEEMO CCC1(C)C[NH+]([C@H](C)C=O)C1 575511012 352462901 /nfs/dbraw/zinc/46/29/01/352462901.db2.gz OQFFNIBQJVPDGM-MRVPVSSYSA-N 1 1 155.241 1.306 10 30 ADEEMO C[C@H](C=O)[N@H+]1CC[C@H]2CCC[C@H]21 575511067 352463495 /nfs/dbraw/zinc/46/34/95/352463495.db2.gz OZNLRVUORQVUFB-OPRDCNLKSA-N 1 1 167.252 1.448 10 30 ADEEMO C[C@H](C=O)[N@H+]1CC[C@@H]2CCC[C@H]21 575511063 352463530 /nfs/dbraw/zinc/46/35/30/352463530.db2.gz OZNLRVUORQVUFB-KXUCPTDWSA-N 1 1 167.252 1.448 10 30 ADEEMO C[C@H](C=O)[N@H+]1CC[C@H]2CCC[C@@H]21 575511058 352463557 /nfs/dbraw/zinc/46/35/57/352463557.db2.gz OZNLRVUORQVUFB-BBBLOLIVSA-N 1 1 167.252 1.448 10 30 ADEEMO CCC1(C)C[NH+]([C@@H](C)C=O)C1 575511018 352463664 /nfs/dbraw/zinc/46/36/64/352463664.db2.gz OQFFNIBQJVPDGM-QMMMGPOBSA-N 1 1 155.241 1.306 10 30 ADEEMO C[C@H](C=O)[N@H+]1CC[C@@H]2CCC[C@@H]21 575511069 352463918 /nfs/dbraw/zinc/46/39/18/352463918.db2.gz OZNLRVUORQVUFB-UTLUCORTSA-N 1 1 167.252 1.448 10 30 ADEEMO CC(=O)/C=C/c1c[nH+]c(C)n1C 575511020 352463984 /nfs/dbraw/zinc/46/39/84/352463984.db2.gz OQVBQKXRWUMUOY-SNAWJCMRSA-N 1 1 164.208 1.331 10 30 ADEEMO C[C@@H](C=O)[N@H+]1CC[C@@H]2CCCC[C@@H]21 575511163 352464609 /nfs/dbraw/zinc/46/46/09/352464609.db2.gz QBOUDTULYOHFQC-DCAQKATOSA-N 1 1 181.279 1.838 10 30 ADEEMO C[C@@H](C=O)[N@H+]1CCCSCC1 575511280 352465406 /nfs/dbraw/zinc/46/54/06/352465406.db2.gz QMQLNXUHEGJTEW-QMMMGPOBSA-N 1 1 173.281 1.013 10 30 ADEEMO C[C@H](C=O)[N@H+]1CCCSCC1 575511279 352465476 /nfs/dbraw/zinc/46/54/76/352465476.db2.gz QMQLNXUHEGJTEW-MRVPVSSYSA-N 1 1 173.281 1.013 10 30 ADEEMO N#C[C@@]1([NH3+])CCCC[C@@H]1C1CC1 575511562 352466973 /nfs/dbraw/zinc/46/69/73/352466973.db2.gz GAAGNXVCEWDVSU-ZJUUUORDSA-N 1 1 164.252 1.808 10 30 ADEEMO N#C[C@]1([NH3+])CCCC[C@H]1C1CC1 575511561 352467059 /nfs/dbraw/zinc/46/70/59/352467059.db2.gz GAAGNXVCEWDVSU-VHSXEESVSA-N 1 1 164.252 1.808 10 30 ADEEMO N#C[C@]1([NH3+])CCCC[C@@H]1C1CC1 575511557 352467114 /nfs/dbraw/zinc/46/71/14/352467114.db2.gz GAAGNXVCEWDVSU-NXEZZACHSA-N 1 1 164.252 1.808 10 30 ADEEMO C[C@@H](C=O)[N@H+]1CCSCC[C@H]1C 575511650 352467651 /nfs/dbraw/zinc/46/76/51/352467651.db2.gz UNHQBADCPIMTSS-BDAKNGLRSA-N 1 1 187.308 1.401 10 30 ADEEMO C[C@H]1C[C@@H](C)C[N@@H+]([C@@H](C)C=O)C1 575511684 352467723 /nfs/dbraw/zinc/46/77/23/352467723.db2.gz VNMJWHMXLRWCOB-AEJSXWLSSA-N 1 1 169.268 1.552 10 30 ADEEMO C[C@H]1C[C@@H](C)C[N@@H+]([C@H](C)C=O)C1 575511686 352467880 /nfs/dbraw/zinc/46/78/80/352467880.db2.gz VNMJWHMXLRWCOB-KXUCPTDWSA-N 1 1 169.268 1.552 10 30 ADEEMO C[C@H](C=O)[N@H+]1CCSCC[C@H]1C 575511653 352467891 /nfs/dbraw/zinc/46/78/91/352467891.db2.gz UNHQBADCPIMTSS-RKDXNWHRSA-N 1 1 187.308 1.401 10 30 ADEEMO C[C@H]1CCSCC[N@@H+]1[C@H](C)C=O 575511651 352467920 /nfs/dbraw/zinc/46/79/20/352467920.db2.gz UNHQBADCPIMTSS-DTWKUNHWSA-N 1 1 187.308 1.401 10 30 ADEEMO C[C@@H](C=O)[N@H+]1CCSCC[C@@H]1C 575511652 352468078 /nfs/dbraw/zinc/46/80/78/352468078.db2.gz UNHQBADCPIMTSS-IUCAKERBSA-N 1 1 187.308 1.401 10 30 ADEEMO C[C@@H]1C[N@H+]([C@H](C)C=O)CCS1 575511846 352468591 /nfs/dbraw/zinc/46/85/91/352468591.db2.gz XBCJEBDACDCHKI-HTQZYQBOSA-N 1 1 173.281 1.011 10 30 ADEEMO C[C@H]1C[N@H+]([C@H](C)C=O)CCS1 575511848 352468713 /nfs/dbraw/zinc/46/87/13/352468713.db2.gz XBCJEBDACDCHKI-SFYZADRCSA-N 1 1 173.281 1.011 10 30 ADEEMO C[C@H]1C[N@@H+]([C@H](C)C=O)CCS1 575511848 352468715 /nfs/dbraw/zinc/46/87/15/352468715.db2.gz XBCJEBDACDCHKI-SFYZADRCSA-N 1 1 173.281 1.011 10 30 ADEEMO C[C@H]1C[N@H+]([C@@H](C)C=O)CCS1 575511849 352468760 /nfs/dbraw/zinc/46/87/60/352468760.db2.gz XBCJEBDACDCHKI-YUMQZZPRSA-N 1 1 173.281 1.011 10 30 ADEEMO C[C@@H](C=O)[N@@H+]1CCS[C@H](C)C1 575511847 352468773 /nfs/dbraw/zinc/46/87/73/352468773.db2.gz XBCJEBDACDCHKI-JGVFFNPUSA-N 1 1 173.281 1.011 10 30 ADEEMO C[C@@H](C=O)[N@H+]1CCS[C@H](C)C1 575511847 352468775 /nfs/dbraw/zinc/46/87/75/352468775.db2.gz XBCJEBDACDCHKI-JGVFFNPUSA-N 1 1 173.281 1.011 10 30 ADEEMO C[C@@H](C=O)[N@@H+]1CCSC[C@@H]1C 575511881 352469382 /nfs/dbraw/zinc/46/93/82/352469382.db2.gz XTCLXGXTBYQDQO-YUMQZZPRSA-N 1 1 173.281 1.011 10 30 ADEEMO C[C@@H](C=O)[N@H+]1CCSC[C@@H]1C 575511881 352469386 /nfs/dbraw/zinc/46/93/86/352469386.db2.gz XTCLXGXTBYQDQO-YUMQZZPRSA-N 1 1 173.281 1.011 10 30 ADEEMO C[C@H](C=O)[N@H+]1CCC2(CC2)C1 575511868 352469438 /nfs/dbraw/zinc/46/94/38/352469438.db2.gz XNMXBGSXUPPNDS-MRVPVSSYSA-N 1 1 153.225 1.060 10 30 ADEEMO C[C@H](C=O)[N@H+]1C[C@H]2[C@@H](C1)C2(C)C 575511861 352469507 /nfs/dbraw/zinc/46/95/07/352469507.db2.gz XLLQFKCRBVBCGM-HLTSFMKQSA-N 1 1 167.252 1.162 10 30 ADEEMO C[C@@H](C=O)[N@@H+]1CCSC[C@H]1C 575511878 352469533 /nfs/dbraw/zinc/46/95/33/352469533.db2.gz XTCLXGXTBYQDQO-JGVFFNPUSA-N 1 1 173.281 1.011 10 30 ADEEMO C[C@@H](C=O)[N@H+]1CCSC[C@H]1C 575511878 352469534 /nfs/dbraw/zinc/46/95/34/352469534.db2.gz XTCLXGXTBYQDQO-JGVFFNPUSA-N 1 1 173.281 1.011 10 30 ADEEMO C[C@@H](C=O)[N@H+]1CCC2(CC2)C1 575511869 352469544 /nfs/dbraw/zinc/46/95/44/352469544.db2.gz XNMXBGSXUPPNDS-QMMMGPOBSA-N 1 1 153.225 1.060 10 30 ADEEMO C[C@@H]1CSCC[N@H+]([C@@H](C)C=O)C1 575511933 352469568 /nfs/dbraw/zinc/46/95/68/352469568.db2.gz YNHXPGBGLRMIDG-IUCAKERBSA-N 1 1 187.308 1.259 10 30 ADEEMO C[C@@H](C=O)[N@H+]1C[C@H]2[C@@H](C1)C2(C)C 575511864 352469581 /nfs/dbraw/zinc/46/95/81/352469581.db2.gz XLLQFKCRBVBCGM-XHNCKOQMSA-N 1 1 167.252 1.162 10 30 ADEEMO C[C@@H]1CSCC[N@H+]([C@H](C)C=O)C1 575511932 352469605 /nfs/dbraw/zinc/46/96/05/352469605.db2.gz YNHXPGBGLRMIDG-DTWKUNHWSA-N 1 1 187.308 1.259 10 30 ADEEMO C[C@H](C=O)[N@@H+]1CCSC[C@H]1C 575511876 352469618 /nfs/dbraw/zinc/46/96/18/352469618.db2.gz XTCLXGXTBYQDQO-HTQZYQBOSA-N 1 1 173.281 1.011 10 30 ADEEMO C[C@H](C=O)[N@H+]1CCSC[C@H]1C 575511876 352469619 /nfs/dbraw/zinc/46/96/19/352469619.db2.gz XTCLXGXTBYQDQO-HTQZYQBOSA-N 1 1 173.281 1.011 10 30 ADEEMO C[C@H]1CSCC[N@H+]1[C@H](C)C=O 575511879 352469644 /nfs/dbraw/zinc/46/96/44/352469644.db2.gz XTCLXGXTBYQDQO-SFYZADRCSA-N 1 1 173.281 1.011 10 30 ADEEMO C[C@H]1CSCC[N@@H+]1[C@H](C)C=O 575511879 352469646 /nfs/dbraw/zinc/46/96/46/352469646.db2.gz XTCLXGXTBYQDQO-SFYZADRCSA-N 1 1 173.281 1.011 10 30 ADEEMO C[C@@H](C=O)[N@H+]1CCSC[C@H](C)C1 575511926 352469680 /nfs/dbraw/zinc/46/96/80/352469680.db2.gz YNHXPGBGLRMIDG-BDAKNGLRSA-N 1 1 187.308 1.259 10 30 ADEEMO C[C@H]1CSCC[N@H+]([C@H](C)C=O)C1 575511934 352469691 /nfs/dbraw/zinc/46/96/91/352469691.db2.gz YNHXPGBGLRMIDG-RKDXNWHRSA-N 1 1 187.308 1.259 10 30 ADEEMO C[C@@H](C=O)[N@@H+](C)C(C)(C)C 575512059 352470433 /nfs/dbraw/zinc/47/04/33/352470433.db2.gz ZFSWJJYOGZRHSG-ZETCQYMHSA-N 1 1 143.230 1.304 10 30 ADEEMO C[C@H](C=O)[N@@H+](C)C(C)(C)C 575512058 352470440 /nfs/dbraw/zinc/47/04/40/352470440.db2.gz ZFSWJJYOGZRHSG-SSDOTTSWSA-N 1 1 143.230 1.304 10 30 ADEEMO C#C[C@H](C)N[C@H]1CC[NH2+]C(C)(C)C1 575512301 352471653 /nfs/dbraw/zinc/47/16/53/352471653.db2.gz MLMNWWSOOFNEKP-UWVGGRQHSA-N 1 1 180.295 1.128 10 30 ADEEMO C#C[C@@H](C)N[C@H]1CC[NH2+]C(C)(C)C1 575512303 352471681 /nfs/dbraw/zinc/47/16/81/352471681.db2.gz MLMNWWSOOFNEKP-ZJUUUORDSA-N 1 1 180.295 1.128 10 30 ADEEMO C#C[C@H](C)N[C@@H]1CC[NH2+]C(C)(C)C1 575512302 352471816 /nfs/dbraw/zinc/47/18/16/352471816.db2.gz MLMNWWSOOFNEKP-VHSXEESVSA-N 1 1 180.295 1.128 10 30 ADEEMO C#C[C@@H](C)N[C@@H]1CC[NH2+]C(C)(C)C1 575512300 352471873 /nfs/dbraw/zinc/47/18/73/352471873.db2.gz MLMNWWSOOFNEKP-NXEZZACHSA-N 1 1 180.295 1.128 10 30 ADEEMO N#CC1([NH3+])CCC2(CC1)CC2 575513032 352475954 /nfs/dbraw/zinc/47/59/54/352475954.db2.gz XHJZCELZWKVLFC-UHFFFAOYSA-N 1 1 150.225 1.562 10 30 ADEEMO C[C@@H](C=O)[NH+]1CCC(F)CC1 575515015 352486610 /nfs/dbraw/zinc/48/66/10/352486610.db2.gz MBHLFKPLIVAOOU-ZETCQYMHSA-N 1 1 159.204 1.008 10 30 ADEEMO C[C@H](C=O)[NH+]1CCC(F)CC1 575515014 352486923 /nfs/dbraw/zinc/48/69/23/352486923.db2.gz MBHLFKPLIVAOOU-SSDOTTSWSA-N 1 1 159.204 1.008 10 30 ADEEMO CC1C[C@@H]2CC[C@H](C1)[N@H+]2[C@@H](C)C=O 575516727 352493926 /nfs/dbraw/zinc/49/39/26/352493926.db2.gz DHGIHPSFCGJZRA-QBUCEGOBSA-N 1 1 181.279 1.837 10 30 ADEEMO CC1C[C@@H]2CC[C@H](C1)[N@H+]2[C@H](C)C=O 575516726 352494167 /nfs/dbraw/zinc/49/41/67/352494167.db2.gz DHGIHPSFCGJZRA-OCPDBYLZSA-N 1 1 181.279 1.837 10 30 ADEEMO CC1C[C@@H]2CC[C@H](C1)[N@H+]2CC=O 575517593 352498081 /nfs/dbraw/zinc/49/80/81/352498081.db2.gz QEBYBGZWJLPWII-PBINXNQUSA-N 1 1 167.252 1.448 10 30 ADEEMO N#C[C@@]1([NH3+])CCCSCC1 575518741 352503818 /nfs/dbraw/zinc/50/38/18/352503818.db2.gz SMDMFCVHVDUDRD-SSDOTTSWSA-N 1 1 156.254 1.125 10 30 ADEEMO N#C[C@]1([NH3+])CCCSCC1 575518742 352504053 /nfs/dbraw/zinc/50/40/53/352504053.db2.gz SMDMFCVHVDUDRD-ZETCQYMHSA-N 1 1 156.254 1.125 10 30 ADEEMO C#CC1CCN(C(C)(C)C[NH3+])CC1 575519317 352506771 /nfs/dbraw/zinc/50/67/71/352506771.db2.gz KPSWLCJBAGKELO-UHFFFAOYSA-N 1 1 180.295 1.069 10 30 ADEEMO C#C[C@H]1CCC[N@H+](C(C)(C)CN)C1 575519400 352506830 /nfs/dbraw/zinc/50/68/30/352506830.db2.gz QPBBUZNLRXZNJB-JTQLQIEISA-N 1 1 180.295 1.069 10 30 ADEEMO C#C[C@H]1CCCN(C(C)(C)C[NH3+])C1 575519400 352506835 /nfs/dbraw/zinc/50/68/35/352506835.db2.gz QPBBUZNLRXZNJB-JTQLQIEISA-N 1 1 180.295 1.069 10 30 ADEEMO C#CC1CCN(CC(C)(C)[NH3+])CC1 575519343 352507102 /nfs/dbraw/zinc/50/71/02/352507102.db2.gz MIKYSBFGOXLLCV-UHFFFAOYSA-N 1 1 180.295 1.069 10 30 ADEEMO C#C[C@@H]1CCC[N@H+](C(C)(C)CN)C1 575519401 352507360 /nfs/dbraw/zinc/50/73/60/352507360.db2.gz QPBBUZNLRXZNJB-SNVBAGLBSA-N 1 1 180.295 1.069 10 30 ADEEMO C#C[C@@H]1CCCN(C(C)(C)C[NH3+])C1 575519401 352507362 /nfs/dbraw/zinc/50/73/62/352507362.db2.gz QPBBUZNLRXZNJB-SNVBAGLBSA-N 1 1 180.295 1.069 10 30 ADEEMO C#CC[N@@H+]1[C@H](CN)CC[C@@H](C)[C@H]1C 575519462 352507651 /nfs/dbraw/zinc/50/76/51/352507651.db2.gz XUHKFLYCFVWVBK-MXWKQRLJSA-N 1 1 180.295 1.067 10 30 ADEEMO C#CC[N@@H+]1[C@H](CN)CC[C@H](C)[C@@H]1C 575519459 352507672 /nfs/dbraw/zinc/50/76/72/352507672.db2.gz XUHKFLYCFVWVBK-DCAQKATOSA-N 1 1 180.295 1.067 10 30 ADEEMO C#CC[N@@H+]1[C@H](CN)CC[C@@H](C)[C@@H]1C 575519463 352507809 /nfs/dbraw/zinc/50/78/09/352507809.db2.gz XUHKFLYCFVWVBK-VWYCJHECSA-N 1 1 180.295 1.067 10 30 ADEEMO C#CC[N@@H+]1[C@H](CN)CC[C@H](C)[C@H]1C 575519458 352507888 /nfs/dbraw/zinc/50/78/88/352507888.db2.gz XUHKFLYCFVWVBK-AXFHLTTASA-N 1 1 180.295 1.067 10 30 ADEEMO C#C[C@@H](C)N[C@H]1C[N@@H+](C)C(C)(C)C1 575522502 352521905 /nfs/dbraw/zinc/52/19/05/352521905.db2.gz FIWLILGKDUEGAP-NXEZZACHSA-N 1 1 180.295 1.080 10 30 ADEEMO C#C[C@H](C)N[C@H]1C[N@H+](C)C(C)(C)C1 575522504 352521822 /nfs/dbraw/zinc/52/18/22/352521822.db2.gz FIWLILGKDUEGAP-VHSXEESVSA-N 1 1 180.295 1.080 10 30 ADEEMO C#C[C@H](C)N[C@H]1C[N@@H+](C)C(C)(C)C1 575522504 352521827 /nfs/dbraw/zinc/52/18/27/352521827.db2.gz FIWLILGKDUEGAP-VHSXEESVSA-N 1 1 180.295 1.080 10 30 ADEEMO C#C[C@@H](C)N[C@H]1C[N@H+](C)C(C)(C)C1 575522502 352521900 /nfs/dbraw/zinc/52/19/00/352521900.db2.gz FIWLILGKDUEGAP-NXEZZACHSA-N 1 1 180.295 1.080 10 30 ADEEMO C#C[C@H](C)N[C@@H]1C[N@H+](C)C(C)(C)C1 575522503 352521980 /nfs/dbraw/zinc/52/19/80/352521980.db2.gz FIWLILGKDUEGAP-UWVGGRQHSA-N 1 1 180.295 1.080 10 30 ADEEMO C#C[C@H](C)N[C@@H]1C[N@@H+](C)C(C)(C)C1 575522503 352521984 /nfs/dbraw/zinc/52/19/84/352521984.db2.gz FIWLILGKDUEGAP-UWVGGRQHSA-N 1 1 180.295 1.080 10 30 ADEEMO C#C[C@@H](C)N[C@@H]1C[N@H+](C)C(C)(C)C1 575522510 352522120 /nfs/dbraw/zinc/52/21/20/352522120.db2.gz FIWLILGKDUEGAP-ZJUUUORDSA-N 1 1 180.295 1.080 10 30 ADEEMO CC#CCN[C@@H]1C[N@H+](C)C(C)(C)C1 575523860 352527349 /nfs/dbraw/zinc/52/73/49/352527349.db2.gz YJUCAPFJKPFEQM-JTQLQIEISA-N 1 1 180.295 1.082 10 30 ADEEMO CC#CCN[C@@H]1C[N@@H+](C)C(C)(C)C1 575523860 352527352 /nfs/dbraw/zinc/52/73/52/352527352.db2.gz YJUCAPFJKPFEQM-JTQLQIEISA-N 1 1 180.295 1.082 10 30 ADEEMO CC#CCN[C@H]1C[N@H+](C)C(C)(C)C1 575523863 352527510 /nfs/dbraw/zinc/52/75/10/352527510.db2.gz YJUCAPFJKPFEQM-SNVBAGLBSA-N 1 1 180.295 1.082 10 30 ADEEMO CC#CCN[C@H]1C[N@@H+](C)C(C)(C)C1 575523863 352527514 /nfs/dbraw/zinc/52/75/14/352527514.db2.gz YJUCAPFJKPFEQM-SNVBAGLBSA-N 1 1 180.295 1.082 10 30 ADEEMO C=CC[NH+]1C[C@@H](C)C(=O)[C@H](C)C1 575524122 352528834 /nfs/dbraw/zinc/52/88/34/352528834.db2.gz AHRRMMFGTYMOJR-RKDXNWHRSA-N 1 1 167.252 1.329 10 30 ADEEMO C=CC[N@H+]1C[C@H](C)C(=O)[C@H](C)C1 575524120 352528928 /nfs/dbraw/zinc/52/89/28/352528928.db2.gz AHRRMMFGTYMOJR-DTORHVGOSA-N 1 1 167.252 1.329 10 30 ADEEMO C=CC[N@@H+]1C[C@H](C)C(=O)[C@H](C)C1 575524120 352528931 /nfs/dbraw/zinc/52/89/31/352528931.db2.gz AHRRMMFGTYMOJR-DTORHVGOSA-N 1 1 167.252 1.329 10 30 ADEEMO C=CC[NH+]1C[C@H](C)C(=O)[C@@H](C)C1 575524121 352529022 /nfs/dbraw/zinc/52/90/22/352529022.db2.gz AHRRMMFGTYMOJR-IUCAKERBSA-N 1 1 167.252 1.329 10 30 ADEEMO CC(C)(C=O)[N@@H+]1C[C@H]2CC[C@H]2C1 575524414 352529918 /nfs/dbraw/zinc/52/99/18/352529918.db2.gz UGFXROSRMMNEDS-DTORHVGOSA-N 1 1 167.252 1.306 10 30 ADEEMO C=C(C)C[N@@H+]1C[C@H](C)C(=O)[C@H](C)C1 575524509 352530359 /nfs/dbraw/zinc/53/03/59/352530359.db2.gz CUBWTUXMHHZFPQ-AOOOYVTPSA-N 1 1 181.279 1.719 10 30 ADEEMO C=C[C@@H](C)[N@H+]1C[C@H](C)C(=O)[C@H](C)C1 575525868 352536913 /nfs/dbraw/zinc/53/69/13/352536913.db2.gz ODUBQSUDYYAFQX-KXUCPTDWSA-N 1 1 181.279 1.718 10 30 ADEEMO C=C[C@H](C)[N@H+]1C[C@H](C)C(=O)[C@H](C)C1 575525863 352536966 /nfs/dbraw/zinc/53/69/66/352536966.db2.gz ODUBQSUDYYAFQX-AEJSXWLSSA-N 1 1 181.279 1.718 10 30 ADEEMO C#CCC[N@@H+]1C[C@H](C)C(=O)[C@H](C)C1 575525749 352537126 /nfs/dbraw/zinc/53/71/26/352537126.db2.gz MQYBPTALMOXBGW-AOOOYVTPSA-N 1 1 179.263 1.167 10 30 ADEEMO CC(=O)/C=C1\C[N@H+](C)C(C)(C)C1 575529196 352550591 /nfs/dbraw/zinc/55/05/91/352550591.db2.gz UKFZBVKWVSLLNE-UITAMQMPSA-N 1 1 167.252 1.616 10 30 ADEEMO CC(=O)/C=C1/C[N@H+](C)C(C)(C)C1 575529198 352550752 /nfs/dbraw/zinc/55/07/52/352550752.db2.gz UKFZBVKWVSLLNE-WEVVVXLNSA-N 1 1 167.252 1.616 10 30 ADEEMO C=CCC(=O)[C@H]1CC[N@H+](C)C1 575530396 352556515 /nfs/dbraw/zinc/55/65/15/352556515.db2.gz IPYAJQBDNHEMER-QMMMGPOBSA-N 1 1 153.225 1.083 10 30 ADEEMO C=CCC(=O)[C@@H]1CC[N@H+](C)C1 575530394 352556585 /nfs/dbraw/zinc/55/65/85/352556585.db2.gz IPYAJQBDNHEMER-MRVPVSSYSA-N 1 1 153.225 1.083 10 30 ADEEMO CC(C)=CC(=O)[C@@H]1CC[N@H+](C)C1 575531935 352563746 /nfs/dbraw/zinc/56/37/46/352563746.db2.gz RZYOTGAUIFVIIJ-SECBINFHSA-N 1 1 167.252 1.473 10 30 ADEEMO CC(C)=CC(=O)[C@H]1CC[N@H+](C)C1 575531937 352563761 /nfs/dbraw/zinc/56/37/61/352563761.db2.gz RZYOTGAUIFVIIJ-VIFPVBQESA-N 1 1 167.252 1.473 10 30 ADEEMO C[N@@H+](CC=O)[C@H]1CCCSC1 575534679 352575856 /nfs/dbraw/zinc/57/58/56/352575856.db2.gz LVUHRZSPMJDHAU-QMMMGPOBSA-N 1 1 173.281 1.013 10 30 ADEEMO C[N@@H+](CC=O)[C@@H]1CCCSC1 575534678 352575936 /nfs/dbraw/zinc/57/59/36/352575936.db2.gz LVUHRZSPMJDHAU-MRVPVSSYSA-N 1 1 173.281 1.013 10 30 ADEEMO SCCC[N@H+]1C[C@@H]2CCC[C@H]21 575551879 352643855 /nfs/dbraw/zinc/64/38/55/352643855.db2.gz XTIMTMQZGIEVMQ-DTWKUNHWSA-N 1 1 171.309 1.791 10 30 ADEEMO C[C@H]1CC[N@@H+]1C[C@@H](C)CS 575536005 352581291 /nfs/dbraw/zinc/58/12/91/352581291.db2.gz FNOXRKXZDLCVEC-SFYZADRCSA-N 1 1 159.298 1.647 10 30 ADEEMO C[C@H](CS)C[N@H+]1CC[C@H]1C 575536004 352581339 /nfs/dbraw/zinc/58/13/39/352581339.db2.gz FNOXRKXZDLCVEC-JGVFFNPUSA-N 1 1 159.298 1.647 10 30 ADEEMO C[C@H]1CC[N@H+]1CCCS 575535999 352581472 /nfs/dbraw/zinc/58/14/72/352581472.db2.gz DUDIAGQWUULWPR-ZETCQYMHSA-N 1 1 145.271 1.401 10 30 ADEEMO C[C@@H]1CC[N@H+]1CCS 575535991 352581486 /nfs/dbraw/zinc/58/14/86/352581486.db2.gz DDLIDGVEJYHZRM-ZCFIWIBFSA-N 1 1 131.244 1.010 10 30 ADEEMO C[C@@H]1CC[N@H+]1CCCS 575535998 352581499 /nfs/dbraw/zinc/58/14/99/352581499.db2.gz DUDIAGQWUULWPR-SSDOTTSWSA-N 1 1 145.271 1.401 10 30 ADEEMO C[C@@H](CS)C[N@H+]1CC[C@H]1C 575536003 352581526 /nfs/dbraw/zinc/58/15/26/352581526.db2.gz FNOXRKXZDLCVEC-HTQZYQBOSA-N 1 1 159.298 1.647 10 30 ADEEMO C[C@H]1CC[N@H+]1CCS 575535990 352581545 /nfs/dbraw/zinc/58/15/45/352581545.db2.gz DDLIDGVEJYHZRM-LURJTMIESA-N 1 1 131.244 1.010 10 30 ADEEMO C[C@@H]1C[N@@H+](CCCS)[C@@H]1C 575536031 352581956 /nfs/dbraw/zinc/58/19/56/352581956.db2.gz IJBQZPRYCHUITM-HTQZYQBOSA-N 1 1 159.298 1.647 10 30 ADEEMO C[C@H]1C[N@@H+](CCCS)[C@H]1C 575536034 352582081 /nfs/dbraw/zinc/58/20/81/352582081.db2.gz IJBQZPRYCHUITM-YUMQZZPRSA-N 1 1 159.298 1.647 10 30 ADEEMO C[C@H](CS)C[N@H+]1C[C@@H](C)[C@@H]1C 575536021 352582130 /nfs/dbraw/zinc/58/21/30/352582130.db2.gz GHDXNGJJNDANCC-YIZRAAEISA-N 1 1 173.325 1.893 10 30 ADEEMO C[C@H](CS)C[N@H+]1CC[C@@H]1C 575536006 352582149 /nfs/dbraw/zinc/58/21/49/352582149.db2.gz FNOXRKXZDLCVEC-YUMQZZPRSA-N 1 1 159.298 1.647 10 30 ADEEMO C[C@H]1C[N@@H+](CCCS)[C@@H]1C 575536032 352582231 /nfs/dbraw/zinc/58/22/31/352582231.db2.gz IJBQZPRYCHUITM-JGVFFNPUSA-N 1 1 159.298 1.647 10 30 ADEEMO C[C@H](CS)C[N@H+]1C[C@H](C)[C@@H]1C 575536018 352582260 /nfs/dbraw/zinc/58/22/60/352582260.db2.gz GHDXNGJJNDANCC-CIUDSAMLSA-N 1 1 173.325 1.893 10 30 ADEEMO C[C@H](CS)C[N@H+]1C[C@H](C)[C@H]1C 575536020 352582295 /nfs/dbraw/zinc/58/22/95/352582295.db2.gz GHDXNGJJNDANCC-XHNCKOQMSA-N 1 1 173.325 1.893 10 30 ADEEMO C[C@H](CS)C[N@H+]1C[C@@H](C)[C@H]1C 575536019 352582313 /nfs/dbraw/zinc/58/23/13/352582313.db2.gz GHDXNGJJNDANCC-DJLDLDEBSA-N 1 1 173.325 1.893 10 30 ADEEMO CC1(C)CC[N@H+]1CCS 575536030 352582333 /nfs/dbraw/zinc/58/23/33/352582333.db2.gz HVNSTCRXQMZPNG-UHFFFAOYSA-N 1 1 145.271 1.401 10 30 ADEEMO CC1(C)CC[N@H+]1CCCS 575536102 352582341 /nfs/dbraw/zinc/58/23/41/352582341.db2.gz RNLVPPOEYKALCH-UHFFFAOYSA-N 1 1 159.298 1.791 10 30 ADEEMO C[C@H]1[C@H](C)C[N@H+]1CCCS 575536033 352582411 /nfs/dbraw/zinc/58/24/11/352582411.db2.gz IJBQZPRYCHUITM-SFYZADRCSA-N 1 1 159.298 1.647 10 30 ADEEMO C[C@H]1CC[C@@H](C)[N@H+]1CCS 575536177 352583051 /nfs/dbraw/zinc/58/30/51/352583051.db2.gz JHEWFQJHUWMBEL-OCAPTIKFSA-N 1 1 159.298 1.789 10 30 ADEEMO C[C@H]1[C@H](C)C[N@H+]1C/C=C/CS 575536320 352583616 /nfs/dbraw/zinc/58/36/16/352583616.db2.gz AYHTYMLGRZZRQG-BKIAHZASSA-N 1 1 171.309 1.813 10 30 ADEEMO C[C@@H]1CC[N@H+]1CC1(CS)CC1 575536252 352583635 /nfs/dbraw/zinc/58/36/35/352583635.db2.gz YASYHTMWCUDSPV-MRVPVSSYSA-N 1 1 171.309 1.791 10 30 ADEEMO C[C@@H]1C[N@@H+](C/C=C/CS)[C@@H]1C 575536335 352583671 /nfs/dbraw/zinc/58/36/71/352583671.db2.gz AYHTYMLGRZZRQG-HUGTUPKYSA-N 1 1 171.309 1.813 10 30 ADEEMO C[C@H]1C[N@@H+](C/C=C/CS)[C@H]1C 575536334 352583719 /nfs/dbraw/zinc/58/37/19/352583719.db2.gz AYHTYMLGRZZRQG-FBFNWGNUSA-N 1 1 171.309 1.813 10 30 ADEEMO C[C@H]1CC[N@H+]1CC1(CS)CC1 575536253 352583759 /nfs/dbraw/zinc/58/37/59/352583759.db2.gz YASYHTMWCUDSPV-QMMMGPOBSA-N 1 1 171.309 1.791 10 30 ADEEMO C[C@H]1C[N@@H+](C/C=C/CS)[C@@H]1C 575536333 352583959 /nfs/dbraw/zinc/58/39/59/352583959.db2.gz AYHTYMLGRZZRQG-DXMIZCBPSA-N 1 1 171.309 1.813 10 30 ADEEMO SCC[N@H+]1CCCC2(CC2)C1 575536621 352585192 /nfs/dbraw/zinc/58/51/92/352585192.db2.gz OFXKAOTXTMNPHP-UHFFFAOYSA-N 1 1 171.309 1.792 10 30 ADEEMO SCC[N@H+]1CCC[C@H]1C1CC1 575536543 352585360 /nfs/dbraw/zinc/58/53/60/352585360.db2.gz LOAMCXCLOHRWCZ-VIFPVBQESA-N 1 1 171.309 1.791 10 30 ADEEMO CC1(C)CC[N@H+]1C/C=C/CS 575536520 352585533 /nfs/dbraw/zinc/58/55/33/352585533.db2.gz KFRVSLXTLWCHLP-ONEGZZNKSA-N 1 1 171.309 1.957 10 30 ADEEMO SCC[N@H+]1CCC[C@@H]1C1CC1 575536542 352585545 /nfs/dbraw/zinc/58/55/45/352585545.db2.gz LOAMCXCLOHRWCZ-SECBINFHSA-N 1 1 171.309 1.791 10 30 ADEEMO C=C(C)CN1CC[NH2+]CC[C@@H]1C 575539752 352601237 /nfs/dbraw/zinc/60/12/37/352601237.db2.gz BTGHDEORILCJSO-JTQLQIEISA-N 1 1 168.284 1.246 10 30 ADEEMO C=C(C)CN1CC[NH2+]CC[C@H]1C 575539753 352601289 /nfs/dbraw/zinc/60/12/89/352601289.db2.gz BTGHDEORILCJSO-SNVBAGLBSA-N 1 1 168.284 1.246 10 30 ADEEMO C=C(C)CN1C[C@H](C)[NH2+]CC[C@@H]1C 575540099 352601921 /nfs/dbraw/zinc/60/19/21/352601921.db2.gz LZVDDHFOGUOWJV-QWRGUYRKSA-N 1 1 182.311 1.635 10 30 ADEEMO C=C(C)C[N@H+]1C[C@H](C)NCC[C@@H]1C 575540099 352601925 /nfs/dbraw/zinc/60/19/25/352601925.db2.gz LZVDDHFOGUOWJV-QWRGUYRKSA-N 1 1 182.311 1.635 10 30 ADEEMO C=C(C)C[N@@H+]1C[C@H](C)NCC[C@@H]1C 575540099 352601927 /nfs/dbraw/zinc/60/19/27/352601927.db2.gz LZVDDHFOGUOWJV-QWRGUYRKSA-N 1 1 182.311 1.635 10 30 ADEEMO C=C(C)CN1C[C@@H](C)[NH2+]CC[C@H]1C 575540097 352602027 /nfs/dbraw/zinc/60/20/27/352602027.db2.gz LZVDDHFOGUOWJV-GHMZBOCLSA-N 1 1 182.311 1.635 10 30 ADEEMO C=C(C)C[N@H+]1C[C@@H](C)NCC[C@H]1C 575540097 352602031 /nfs/dbraw/zinc/60/20/31/352602031.db2.gz LZVDDHFOGUOWJV-GHMZBOCLSA-N 1 1 182.311 1.635 10 30 ADEEMO C=C(C)C[N@@H+]1C[C@@H](C)NCC[C@H]1C 575540097 352602035 /nfs/dbraw/zinc/60/20/35/352602035.db2.gz LZVDDHFOGUOWJV-GHMZBOCLSA-N 1 1 182.311 1.635 10 30 ADEEMO C=C(C)CN1C[C@@H](C)[NH2+]CC[C@@H]1C 575540098 352602287 /nfs/dbraw/zinc/60/22/87/352602287.db2.gz LZVDDHFOGUOWJV-MNOVXSKESA-N 1 1 182.311 1.635 10 30 ADEEMO C=C(C)C[N@H+]1C[C@@H](C)NCC[C@@H]1C 575540098 352602290 /nfs/dbraw/zinc/60/22/90/352602290.db2.gz LZVDDHFOGUOWJV-MNOVXSKESA-N 1 1 182.311 1.635 10 30 ADEEMO C=C(C)C[N@@H+]1C[C@@H](C)NCC[C@@H]1C 575540098 352602293 /nfs/dbraw/zinc/60/22/93/352602293.db2.gz LZVDDHFOGUOWJV-MNOVXSKESA-N 1 1 182.311 1.635 10 30 ADEEMO C=C(C)CN1C[C@H](C)[NH2+]CC[C@H]1C 575540100 352602353 /nfs/dbraw/zinc/60/23/53/352602353.db2.gz LZVDDHFOGUOWJV-WDEREUQCSA-N 1 1 182.311 1.635 10 30 ADEEMO C=C(C)C[N@H+]1C[C@H](C)NCC[C@H]1C 575540100 352602354 /nfs/dbraw/zinc/60/23/54/352602354.db2.gz LZVDDHFOGUOWJV-WDEREUQCSA-N 1 1 182.311 1.635 10 30 ADEEMO C=C(C)C[N@@H+]1C[C@H](C)NCC[C@H]1C 575540100 352602357 /nfs/dbraw/zinc/60/23/57/352602357.db2.gz LZVDDHFOGUOWJV-WDEREUQCSA-N 1 1 182.311 1.635 10 30 ADEEMO C=C(C)C[N@H+]1C[C@H](C)NCC1(C)C 575540500 352604199 /nfs/dbraw/zinc/60/41/99/352604199.db2.gz WJWJBWFZOUZZEE-JTQLQIEISA-N 1 1 182.311 1.635 10 30 ADEEMO C=C(C)C[N@@H+]1C[C@H](C)NCC1(C)C 575540500 352604202 /nfs/dbraw/zinc/60/42/02/352604202.db2.gz WJWJBWFZOUZZEE-JTQLQIEISA-N 1 1 182.311 1.635 10 30 ADEEMO C=C(C)C[N@H+]1C[C@@H](C)NCC1(C)C 575540504 352604347 /nfs/dbraw/zinc/60/43/47/352604347.db2.gz WJWJBWFZOUZZEE-SNVBAGLBSA-N 1 1 182.311 1.635 10 30 ADEEMO C=C(C)C[N@@H+]1C[C@@H](C)NCC1(C)C 575540504 352604350 /nfs/dbraw/zinc/60/43/50/352604350.db2.gz WJWJBWFZOUZZEE-SNVBAGLBSA-N 1 1 182.311 1.635 10 30 ADEEMO C=C1CN(C[C@H]2CC[C@H]([NH3+])CC2)C1 575541186 352607175 /nfs/dbraw/zinc/60/71/75/352607175.db2.gz CLNHPSWRWZYDIF-XYPYZODXSA-N 1 1 180.295 1.376 10 30 ADEEMO C=C(CS)C[N@@H+]1C[C@H](C)[C@H]1C 575541530 352607722 /nfs/dbraw/zinc/60/77/22/352607722.db2.gz DTWPKWJLCAPGSO-DTWKUNHWSA-N 1 1 171.309 1.813 10 30 ADEEMO C=C(CS)C[N@@H+]1C[C@H](C)[C@@H]1C 575541533 352607772 /nfs/dbraw/zinc/60/77/72/352607772.db2.gz DTWPKWJLCAPGSO-IUCAKERBSA-N 1 1 171.309 1.813 10 30 ADEEMO C=C(CS)C[N@@H+]1C[C@@H](C)[C@@H]1C 575541527 352607819 /nfs/dbraw/zinc/60/78/19/352607819.db2.gz DTWPKWJLCAPGSO-BDAKNGLRSA-N 1 1 171.309 1.813 10 30 ADEEMO C=C(CS)C[N@@H+]1CCC1(C)C 575541520 352607829 /nfs/dbraw/zinc/60/78/29/352607829.db2.gz DPGRDDZZXZHWLB-UHFFFAOYSA-N 1 1 171.309 1.957 10 30 ADEEMO SCC[N@H+]1C[C@H]2CCC[C@H]21 575541426 352607875 /nfs/dbraw/zinc/60/78/75/352607875.db2.gz CNNOZZIHQZGWCJ-HTQZYQBOSA-N 1 1 157.282 1.401 10 30 ADEEMO SCC[N@H+]1C[C@@H]2CCC[C@@H]21 575541435 352607881 /nfs/dbraw/zinc/60/78/81/352607881.db2.gz CNNOZZIHQZGWCJ-YUMQZZPRSA-N 1 1 157.282 1.401 10 30 ADEEMO C=C(CS)C[N@@H+]1C[C@@H](C)[C@H]1C 575541536 352607904 /nfs/dbraw/zinc/60/79/04/352607904.db2.gz DTWPKWJLCAPGSO-RKDXNWHRSA-N 1 1 171.309 1.813 10 30 ADEEMO SCC[N@H+]1C[C@@H]2CCC[C@H]21 575541429 352607922 /nfs/dbraw/zinc/60/79/22/352607922.db2.gz CNNOZZIHQZGWCJ-JGVFFNPUSA-N 1 1 157.282 1.401 10 30 ADEEMO SCC[N@H+]1C[C@H]2CCC[C@@H]21 575541432 352607932 /nfs/dbraw/zinc/60/79/32/352607932.db2.gz CNNOZZIHQZGWCJ-SFYZADRCSA-N 1 1 157.282 1.401 10 30 ADEEMO SCC[N@H+]1CCC12CCCC2 575541503 352608020 /nfs/dbraw/zinc/60/80/20/352608020.db2.gz CZBXRARWNDEWLA-UHFFFAOYSA-N 1 1 171.309 1.935 10 30 ADEEMO N#C[C@H]1CC[N@H+](CCCS)C1 575541559 352608285 /nfs/dbraw/zinc/60/82/85/352608285.db2.gz FCNVMVQPEAIZLH-MRVPVSSYSA-N 1 1 170.281 1.152 10 30 ADEEMO N#C[C@@H]1CC[N@H+](CCCS)C1 575541561 352608542 /nfs/dbraw/zinc/60/85/42/352608542.db2.gz FCNVMVQPEAIZLH-QMMMGPOBSA-N 1 1 170.281 1.152 10 30 ADEEMO SCCC[N@H+]1CC[C@@H]2C[C@@H]21 575541580 352608580 /nfs/dbraw/zinc/60/85/80/352608580.db2.gz FRLQNPZTBMMNSM-SFYZADRCSA-N 1 1 157.282 1.401 10 30 ADEEMO SCCC[N@H+]1CC[C@H]2C[C@H]21 575541576 352608687 /nfs/dbraw/zinc/60/86/87/352608687.db2.gz FRLQNPZTBMMNSM-JGVFFNPUSA-N 1 1 157.282 1.401 10 30 ADEEMO SCC[N@H+]1CCC12CCC2 575541562 352608700 /nfs/dbraw/zinc/60/87/00/352608700.db2.gz FFKFSQCYUWHVIU-UHFFFAOYSA-N 1 1 157.282 1.545 10 30 ADEEMO C[C@]1(C#N)CC[N@H+](CCS)C1 575542029 352609548 /nfs/dbraw/zinc/60/95/48/352609548.db2.gz LDTBMURBHXKIFH-MRVPVSSYSA-N 1 1 170.281 1.152 10 30 ADEEMO C[C@]1(C#N)CC[N@@H+](CCS)C1 575542029 352609549 /nfs/dbraw/zinc/60/95/49/352609549.db2.gz LDTBMURBHXKIFH-MRVPVSSYSA-N 1 1 170.281 1.152 10 30 ADEEMO C[C@@]1(C#N)CC[N@H+](CCS)C1 575542030 352609649 /nfs/dbraw/zinc/60/96/49/352609649.db2.gz LDTBMURBHXKIFH-QMMMGPOBSA-N 1 1 170.281 1.152 10 30 ADEEMO C[C@@]1(C#N)CC[N@@H+](CCS)C1 575542030 352609650 /nfs/dbraw/zinc/60/96/50/352609650.db2.gz LDTBMURBHXKIFH-QMMMGPOBSA-N 1 1 170.281 1.152 10 30 ADEEMO C[C@H](CS)C[N@H+]1CC[C@H]2C[C@H]21 575542313 352610230 /nfs/dbraw/zinc/61/02/30/352610230.db2.gz OYLHVUSFEJCLER-XHNCKOQMSA-N 1 1 171.309 1.647 10 30 ADEEMO C=C(CS)C[N@@H+]1CC[C@H]1C 575542179 352610239 /nfs/dbraw/zinc/61/02/39/352610239.db2.gz MWUKLXMVACULNT-MRVPVSSYSA-N 1 1 157.282 1.567 10 30 ADEEMO C[C@H](CS)C[N@H+]1CC[C@@H]2C[C@@H]21 575542314 352610264 /nfs/dbraw/zinc/61/02/64/352610264.db2.gz OYLHVUSFEJCLER-YIZRAAEISA-N 1 1 171.309 1.647 10 30 ADEEMO C=C(CS)C[N@@H+]1CC[C@@H]1C 575542188 352610446 /nfs/dbraw/zinc/61/04/46/352610446.db2.gz MWUKLXMVACULNT-QMMMGPOBSA-N 1 1 157.282 1.567 10 30 ADEEMO SCC[N@H+]1CC[C@H]2C[C@H]2C1 575542674 352611422 /nfs/dbraw/zinc/61/14/22/352611422.db2.gz UUPQBZVGZBAKRY-YUMQZZPRSA-N 1 1 157.282 1.258 10 30 ADEEMO SCCC[N@H+]1CC[C@H]2C[C@H]2C1 575542753 352611477 /nfs/dbraw/zinc/61/14/77/352611477.db2.gz YDGBPQUQQMSNOG-IUCAKERBSA-N 1 1 171.309 1.648 10 30 ADEEMO SCCC[N@H+]1CC[C@@H]2C[C@@H]2C1 575542754 352611616 /nfs/dbraw/zinc/61/16/16/352611616.db2.gz YDGBPQUQQMSNOG-RKDXNWHRSA-N 1 1 171.309 1.648 10 30 ADEEMO SCC[N@H+]1CC[C@@H]2C[C@@H]2C1 575542670 352611704 /nfs/dbraw/zinc/61/17/04/352611704.db2.gz UUPQBZVGZBAKRY-HTQZYQBOSA-N 1 1 157.282 1.258 10 30 ADEEMO SCC[N@H+]1CC[C@@H]2C[C@@H]21 575542847 352612224 /nfs/dbraw/zinc/61/22/24/352612224.db2.gz ZIMSRGPEGYPCAU-RQJHMYQMSA-N 1 1 143.255 1.010 10 30 ADEEMO SCC[N@H+]1CC[C@H]2C[C@H]21 575542845 352612241 /nfs/dbraw/zinc/61/22/41/352612241.db2.gz ZIMSRGPEGYPCAU-NKWVEPMBSA-N 1 1 143.255 1.010 10 30 ADEEMO C=C(C)[C@H](N)[C@H]1CCCC[N@@H+]1C 575543185 352613305 /nfs/dbraw/zinc/61/33/05/352613305.db2.gz UZFOWQPYMFAPHO-ZJUUUORDSA-N 1 1 168.284 1.374 10 30 ADEEMO C=C(C)[C@H]([NH3+])[C@H]1CCCCN1C 575543185 352613307 /nfs/dbraw/zinc/61/33/07/352613307.db2.gz UZFOWQPYMFAPHO-ZJUUUORDSA-N 1 1 168.284 1.374 10 30 ADEEMO C=C(C)[C@@H](N)[C@@H]1CCCC[N@@H+]1C 575543184 352613337 /nfs/dbraw/zinc/61/33/37/352613337.db2.gz UZFOWQPYMFAPHO-VHSXEESVSA-N 1 1 168.284 1.374 10 30 ADEEMO C=C(C)[C@@H]([NH3+])[C@@H]1CCCCN1C 575543184 352613338 /nfs/dbraw/zinc/61/33/38/352613338.db2.gz UZFOWQPYMFAPHO-VHSXEESVSA-N 1 1 168.284 1.374 10 30 ADEEMO C=C(C)[C@@H](N)[C@H]1CCCC[N@@H+]1C 575543182 352613444 /nfs/dbraw/zinc/61/34/44/352613444.db2.gz UZFOWQPYMFAPHO-NXEZZACHSA-N 1 1 168.284 1.374 10 30 ADEEMO C=C(C)[C@@H]([NH3+])[C@H]1CCCCN1C 575543182 352613446 /nfs/dbraw/zinc/61/34/46/352613446.db2.gz UZFOWQPYMFAPHO-NXEZZACHSA-N 1 1 168.284 1.374 10 30 ADEEMO C=C(C)[C@H](N)[C@@H]1CCCC[N@@H+]1C 575543183 352613798 /nfs/dbraw/zinc/61/37/98/352613798.db2.gz UZFOWQPYMFAPHO-UWVGGRQHSA-N 1 1 168.284 1.374 10 30 ADEEMO C=C(C)[C@H]([NH3+])[C@@H]1CCCCN1C 575543183 352613802 /nfs/dbraw/zinc/61/38/02/352613802.db2.gz UZFOWQPYMFAPHO-UWVGGRQHSA-N 1 1 168.284 1.374 10 30 ADEEMO C=C(C)C[N@@H+]1CCCCC[C@H]([NH3+])C1 575546051 352624353 /nfs/dbraw/zinc/62/43/53/352624353.db2.gz LVXLMNRFJQIRHL-NSHDSACASA-N 1 1 182.311 1.766 10 30 ADEEMO C=C(C)C[N@H+]1CCCCC[C@H]([NH3+])C1 575546051 352624356 /nfs/dbraw/zinc/62/43/56/352624356.db2.gz LVXLMNRFJQIRHL-NSHDSACASA-N 1 1 182.311 1.766 10 30 ADEEMO C#CCC[N@@H+]1CCCCC[C@@H]([NH3+])C1 575546165 352624390 /nfs/dbraw/zinc/62/43/90/352624390.db2.gz NVBOFFKLALAGNQ-LLVKDONJSA-N 1 1 180.295 1.213 10 30 ADEEMO C#CCCN1CCCCC[C@@H]([NH3+])C1 575546165 352624395 /nfs/dbraw/zinc/62/43/95/352624395.db2.gz NVBOFFKLALAGNQ-LLVKDONJSA-N 1 1 180.295 1.213 10 30 ADEEMO C=C(C)C[N@H+]1CCCCC[C@@H]([NH3+])C1 575546050 352624557 /nfs/dbraw/zinc/62/45/57/352624557.db2.gz LVXLMNRFJQIRHL-LLVKDONJSA-N 1 1 182.311 1.766 10 30 ADEEMO C#CCC[N@@H+]1CCCCC[C@H]([NH3+])C1 575546166 352624593 /nfs/dbraw/zinc/62/45/93/352624593.db2.gz NVBOFFKLALAGNQ-NSHDSACASA-N 1 1 180.295 1.213 10 30 ADEEMO C#CCCN1CCCCC[C@H]([NH3+])C1 575546166 352624594 /nfs/dbraw/zinc/62/45/94/352624594.db2.gz NVBOFFKLALAGNQ-NSHDSACASA-N 1 1 180.295 1.213 10 30 ADEEMO CC#CCC(=O)[C@H]1CCC[N@H+]1C 575546551 352625528 /nfs/dbraw/zinc/62/55/28/352625528.db2.gz SREVRYGCOKJOIO-SECBINFHSA-N 1 1 165.236 1.063 10 30 ADEEMO CC#CCC(=O)[C@@H]1CCC[N@H+]1C 575546552 352625826 /nfs/dbraw/zinc/62/58/26/352625826.db2.gz SREVRYGCOKJOIO-VIFPVBQESA-N 1 1 165.236 1.063 10 30 ADEEMO C=CCC(=O)[C@H]1CCC[N@@H+]1C 575547229 352627888 /nfs/dbraw/zinc/62/78/88/352627888.db2.gz YFCRVPPVXBOTHG-MRVPVSSYSA-N 1 1 153.225 1.226 10 30 ADEEMO C=CCC(=O)[C@@H]1CCC[N@@H+]1C 575547231 352627952 /nfs/dbraw/zinc/62/79/52/352627952.db2.gz YFCRVPPVXBOTHG-QMMMGPOBSA-N 1 1 153.225 1.226 10 30 ADEEMO CC#CCC(=O)[C@H]1CCCC[N@H+]1C 575548450 352631418 /nfs/dbraw/zinc/63/14/18/352631418.db2.gz DLFWBMJAJBCEJR-SNVBAGLBSA-N 1 1 179.263 1.453 10 30 ADEEMO CC#CCC(=O)[C@@H]1CCCC[N@H+]1C 575548449 352631436 /nfs/dbraw/zinc/63/14/36/352631436.db2.gz DLFWBMJAJBCEJR-JTQLQIEISA-N 1 1 179.263 1.453 10 30 ADEEMO C[C@@H](CS)C[N@H+]1CC[C@H](F)C1 575548795 352631880 /nfs/dbraw/zinc/63/18/80/352631880.db2.gz FCDVABTTZUGQCL-SFYZADRCSA-N 1 1 177.288 1.596 10 30 ADEEMO C[C@H](CS)C[N@H+]1CC[C@@H](F)C1 575548793 352632025 /nfs/dbraw/zinc/63/20/25/352632025.db2.gz FCDVABTTZUGQCL-JGVFFNPUSA-N 1 1 177.288 1.596 10 30 ADEEMO F[C@H]1CC[N@@H+](CCCS)C1 575548783 352632118 /nfs/dbraw/zinc/63/21/18/352632118.db2.gz DKUKVHZREVMKPA-ZETCQYMHSA-N 1 1 163.261 1.350 10 30 ADEEMO C[C@@H](CS)C[N@H+]1CC[C@@H](F)C1 575548791 352632208 /nfs/dbraw/zinc/63/22/08/352632208.db2.gz FCDVABTTZUGQCL-HTQZYQBOSA-N 1 1 177.288 1.596 10 30 ADEEMO C[C@H](CS)C[N@H+]1CC[C@H](F)C1 575548796 352632235 /nfs/dbraw/zinc/63/22/35/352632235.db2.gz FCDVABTTZUGQCL-YUMQZZPRSA-N 1 1 177.288 1.596 10 30 ADEEMO F[C@@H]1CC[N@@H+](CCCS)C1 575548782 352632264 /nfs/dbraw/zinc/63/22/64/352632264.db2.gz DKUKVHZREVMKPA-SSDOTTSWSA-N 1 1 163.261 1.350 10 30 ADEEMO C#CCC(=O)[C@H]1CCCC[N@@H+]1C 575549059 352632612 /nfs/dbraw/zinc/63/26/12/352632612.db2.gz HAUVBCFCBIDKGD-SECBINFHSA-N 1 1 165.236 1.063 10 30 ADEEMO C#CCC(=O)[C@@H]1CCCC[N@@H+]1C 575549061 352632742 /nfs/dbraw/zinc/63/27/42/352632742.db2.gz HAUVBCFCBIDKGD-VIFPVBQESA-N 1 1 165.236 1.063 10 30 ADEEMO C=CC(=O)[C@@H]1CCCC[N@@H+]1C 575550579 352638761 /nfs/dbraw/zinc/63/87/61/352638761.db2.gz UUOQYHIYZBKZHI-QMMMGPOBSA-N 1 1 153.225 1.226 10 30 ADEEMO C=CC(=O)[C@H]1CCCC[N@@H+]1C 575550578 352638913 /nfs/dbraw/zinc/63/89/13/352638913.db2.gz UUOQYHIYZBKZHI-MRVPVSSYSA-N 1 1 153.225 1.226 10 30 ADEEMO C[C@H]1COC[C@@H](C)[N@H+]1CCS 575551059 352640071 /nfs/dbraw/zinc/64/00/71/352640071.db2.gz MMUXYBMJAZUGDC-OCAPTIKFSA-N 1 1 175.297 1.025 10 30 ADEEMO C=C(C)C(=O)[C@@H]1CCCC[N@@H+]1C 575551512 352642169 /nfs/dbraw/zinc/64/21/69/352642169.db2.gz ZCAFXQCSAAGQMP-VIFPVBQESA-N 1 1 167.252 1.616 10 30 ADEEMO C=C(C)C(=O)[C@H]1CCCC[N@@H+]1C 575551511 352642557 /nfs/dbraw/zinc/64/25/57/352642557.db2.gz ZCAFXQCSAAGQMP-SECBINFHSA-N 1 1 167.252 1.616 10 30 ADEEMO SCC[N@H+]1C[C@H]2CCCC[C@H]21 575551850 352643556 /nfs/dbraw/zinc/64/35/56/352643556.db2.gz UNVGSZBJMUEKIZ-RKDXNWHRSA-N 1 1 171.309 1.791 10 30 ADEEMO SCCC[N@H+]1C[C@H]2CCC[C@H]21 575551881 352643632 /nfs/dbraw/zinc/64/36/32/352643632.db2.gz XTIMTMQZGIEVMQ-RKDXNWHRSA-N 1 1 171.309 1.791 10 30 ADEEMO SCC[N@H+]1C[C@@H]2CCCC[C@H]21 575551848 352643656 /nfs/dbraw/zinc/64/36/56/352643656.db2.gz UNVGSZBJMUEKIZ-DTWKUNHWSA-N 1 1 171.309 1.791 10 30 ADEEMO N#C[C@@H]1CCC[N@@H+](CCS)C1 575551845 352643700 /nfs/dbraw/zinc/64/37/00/352643700.db2.gz UNGIERVUXCYXGP-QMMMGPOBSA-N 1 1 170.281 1.152 10 30 ADEEMO N#C[C@@H]1CCC[N@H+](CCS)C1 575551845 352643702 /nfs/dbraw/zinc/64/37/02/352643702.db2.gz UNGIERVUXCYXGP-QMMMGPOBSA-N 1 1 170.281 1.152 10 30 ADEEMO N#C[C@H]1CCC[N@@H+](CCS)C1 575551844 352643738 /nfs/dbraw/zinc/64/37/38/352643738.db2.gz UNGIERVUXCYXGP-MRVPVSSYSA-N 1 1 170.281 1.152 10 30 ADEEMO N#C[C@H]1CCC[N@H+](CCS)C1 575551844 352643740 /nfs/dbraw/zinc/64/37/40/352643740.db2.gz UNGIERVUXCYXGP-MRVPVSSYSA-N 1 1 170.281 1.152 10 30 ADEEMO SCC[N@H+]1C[C@H]2CCCC[C@@H]21 575551847 352643766 /nfs/dbraw/zinc/64/37/66/352643766.db2.gz UNVGSZBJMUEKIZ-BDAKNGLRSA-N 1 1 171.309 1.791 10 30 ADEEMO SCCC[N@H+]1C[C@H]2CCC[C@@H]21 575551878 352643785 /nfs/dbraw/zinc/64/37/85/352643785.db2.gz XTIMTMQZGIEVMQ-BDAKNGLRSA-N 1 1 171.309 1.791 10 30 ADEEMO SCCC[N@H+]1C[C@@H]2CCC[C@@H]21 575551880 352643794 /nfs/dbraw/zinc/64/37/94/352643794.db2.gz XTIMTMQZGIEVMQ-IUCAKERBSA-N 1 1 171.309 1.791 10 30 ADEEMO SCC[N@H+]1C[C@@H]2CCCC[C@@H]21 575551849 352643803 /nfs/dbraw/zinc/64/38/03/352643803.db2.gz UNVGSZBJMUEKIZ-IUCAKERBSA-N 1 1 171.309 1.791 10 30 ADEEMO F[C@@H]1CCC[N@@H+](CCCS)C1 575551870 352643931 /nfs/dbraw/zinc/64/39/31/352643931.db2.gz XAXDIYRQKLYZOX-MRVPVSSYSA-N 1 1 177.288 1.740 10 30 ADEEMO C[C@@H]1[N@@H+](CCS)CCOC1(C)C 575552643 352646278 /nfs/dbraw/zinc/64/62/78/352646278.db2.gz HAHUODXWDHPKAB-QMMMGPOBSA-N 1 1 189.324 1.416 10 30 ADEEMO C[C@H]1[N@@H+](CCS)CCOC1(C)C 575552642 352646339 /nfs/dbraw/zinc/64/63/39/352646339.db2.gz HAHUODXWDHPKAB-MRVPVSSYSA-N 1 1 189.324 1.416 10 30 ADEEMO C[N@@H+](CCS)[C@H]1CCCSC1 575553021 352646878 /nfs/dbraw/zinc/64/68/78/352646878.db2.gz RFBQOOITUJOWKF-QMMMGPOBSA-N 1 1 191.365 1.744 10 30 ADEEMO C[N@@H+](CCS)[C@@H]1CCCSC1 575553020 352647252 /nfs/dbraw/zinc/64/72/52/352647252.db2.gz RFBQOOITUJOWKF-MRVPVSSYSA-N 1 1 191.365 1.744 10 30 ADEEMO C[C@@H](C=O)[N@H+]1CC(C)(C)C1(C)C 575553904 352650330 /nfs/dbraw/zinc/65/03/30/352650330.db2.gz ANSDQQIJMIRSPY-QMMMGPOBSA-N 1 1 169.268 1.694 10 30 ADEEMO C[C@H](C=O)[N@H+]1CC(C)(C)C1(C)C 575553903 352650563 /nfs/dbraw/zinc/65/05/63/352650563.db2.gz ANSDQQIJMIRSPY-MRVPVSSYSA-N 1 1 169.268 1.694 10 30 ADEEMO C=C[C@H](C)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 575556005 352658224 /nfs/dbraw/zinc/65/82/24/352658224.db2.gz FHRAEBFYVCBROG-GARJFASQSA-N 1 1 180.295 1.102 10 30 ADEEMO C=C[C@H](C)N1C[C@@H]2C[NH2+]C[C@@]2(C)C1 575556003 352658436 /nfs/dbraw/zinc/65/84/36/352658436.db2.gz FHRAEBFYVCBROG-DCAQKATOSA-N 1 1 180.295 1.102 10 30 ADEEMO C=C[C@H](C)N1C[C@H]2C[NH2+]C[C@]2(C)C1 575556007 352658472 /nfs/dbraw/zinc/65/84/72/352658472.db2.gz FHRAEBFYVCBROG-HBNTYKKESA-N 1 1 180.295 1.102 10 30 ADEEMO C=C[C@H](C)N1C[C@H]2C[NH2+]C[C@@]2(C)C1 575556002 352658534 /nfs/dbraw/zinc/65/85/34/352658534.db2.gz FHRAEBFYVCBROG-AXFHLTTASA-N 1 1 180.295 1.102 10 30 ADEEMO CC1(C)C[N@H+](CC=O)C1(C)C 575556179 352659199 /nfs/dbraw/zinc/65/91/99/352659199.db2.gz NYCOXPGOENALLB-UHFFFAOYSA-N 1 1 155.241 1.306 10 30 ADEEMO CC1(C)C[N@@H+](CC=O)C1(C)C 575556179 352659201 /nfs/dbraw/zinc/65/92/01/352659201.db2.gz NYCOXPGOENALLB-UHFFFAOYSA-N 1 1 155.241 1.306 10 30 ADEEMO C[C@H]1C[N@H+](C(C)(C)C=O)[C@H]1C 575564856 352697996 /nfs/dbraw/zinc/69/79/96/352697996.db2.gz IXPHTRASFGEZSB-YUMQZZPRSA-N 1 1 155.241 1.304 10 30 ADEEMO C[C@H](C=O)[N@H+]1CC[C@H]2CC[C@@H](C1)S2 575557015 352662131 /nfs/dbraw/zinc/66/21/31/352662131.db2.gz GMFNOFHZDLTWFD-BBBLOLIVSA-N 1 1 199.319 1.544 10 30 ADEEMO C[C@@H](C=O)[N@H+]1CC[C@H]2CC[C@@H](C1)S2 575557003 352662339 /nfs/dbraw/zinc/66/23/39/352662339.db2.gz GMFNOFHZDLTWFD-AEJSXWLSSA-N 1 1 199.319 1.544 10 30 ADEEMO C=C(C)CN1C[C@H]2C[NH2+]C[C@]2(C)C1 575557744 352665189 /nfs/dbraw/zinc/66/51/89/352665189.db2.gz OEDSUHFAHCFREW-GHMZBOCLSA-N 1 1 180.295 1.104 10 30 ADEEMO C=C(C)CN1C[C@@H]2C[NH2+]C[C@@]2(C)C1 575557763 352665713 /nfs/dbraw/zinc/66/57/13/352665713.db2.gz OEDSUHFAHCFREW-QWRGUYRKSA-N 1 1 180.295 1.104 10 30 ADEEMO C=C(C)CN1C[C@H]2C[NH2+]C[C@@]2(C)C1 575557754 352665747 /nfs/dbraw/zinc/66/57/47/352665747.db2.gz OEDSUHFAHCFREW-MNOVXSKESA-N 1 1 180.295 1.104 10 30 ADEEMO C=C(C)CN1C[C@@H]2C[NH2+]C[C@]2(C)C1 575557766 352665785 /nfs/dbraw/zinc/66/57/85/352665785.db2.gz OEDSUHFAHCFREW-WDEREUQCSA-N 1 1 180.295 1.104 10 30 ADEEMO C=C(CS)C[N@H+]1CC[C@@H]2C[C@@H]21 575558436 352668541 /nfs/dbraw/zinc/66/85/41/352668541.db2.gz HJUREWLSJNIXNQ-BDAKNGLRSA-N 1 1 169.293 1.567 10 30 ADEEMO C=C(CS)C[N@H+]1CC[C@H]2C[C@H]21 575558439 352668575 /nfs/dbraw/zinc/66/85/75/352668575.db2.gz HJUREWLSJNIXNQ-DTWKUNHWSA-N 1 1 169.293 1.567 10 30 ADEEMO N#C[C@@]([NH3+])(C1CCC1)C1CC1 575558663 352669018 /nfs/dbraw/zinc/66/90/18/352669018.db2.gz DHKUBWIVYPVTSQ-SECBINFHSA-N 1 1 150.225 1.418 10 30 ADEEMO N#C[C@]([NH3+])(C1CCC1)C1CC1 575558713 352669859 /nfs/dbraw/zinc/66/98/59/352669859.db2.gz DHKUBWIVYPVTSQ-VIFPVBQESA-N 1 1 150.225 1.418 10 30 ADEEMO SC/C=C/C[N@H+]1CC[C@@H]2C[C@@H]21 575560354 352676386 /nfs/dbraw/zinc/67/63/86/352676386.db2.gz YJZLTKUOPJJSOA-NFXAZMQOSA-N 1 1 169.293 1.567 10 30 ADEEMO SC/C=C/C[N@H+]1CC[C@H]2C[C@H]21 575560357 352676399 /nfs/dbraw/zinc/67/63/99/352676399.db2.gz YJZLTKUOPJJSOA-WMPCIOANSA-N 1 1 169.293 1.567 10 30 ADEEMO C=C[C@H]([NH2+]C)c1ccsn1 575562794 352688025 /nfs/dbraw/zinc/68/80/25/352688025.db2.gz DRTMNGPFCSEZQD-LURJTMIESA-N 1 1 154.238 1.590 10 30 ADEEMO C=C[C@@H]([NH2+]C)c1ccsn1 575562795 352688171 /nfs/dbraw/zinc/68/81/71/352688171.db2.gz DRTMNGPFCSEZQD-ZCFIWIBFSA-N 1 1 154.238 1.590 10 30 ADEEMO C#CC[C@H]([NH2+]C)c1ccsn1 575563446 352690711 /nfs/dbraw/zinc/69/07/11/352690711.db2.gz LRCBRYWJCKWVDB-ZETCQYMHSA-N 1 1 166.249 1.427 10 30 ADEEMO C=C(C)[C@@H]([NH2+]C)c1ccsn1 575563425 352690778 /nfs/dbraw/zinc/69/07/78/352690778.db2.gz LJUKNPMDHBUBNF-MRVPVSSYSA-N 1 1 168.265 1.980 10 30 ADEEMO C#CC[C@@H]([NH2+]C)c1ccsn1 575563444 352690842 /nfs/dbraw/zinc/69/08/42/352690842.db2.gz LRCBRYWJCKWVDB-SSDOTTSWSA-N 1 1 166.249 1.427 10 30 ADEEMO C=C(C)[C@H]([NH2+]C)c1ccsn1 575563427 352690854 /nfs/dbraw/zinc/69/08/54/352690854.db2.gz LJUKNPMDHBUBNF-QMMMGPOBSA-N 1 1 168.265 1.980 10 30 ADEEMO SC[C@@]12CCC[N@@H+](CC1)C2 575563794 352692909 /nfs/dbraw/zinc/69/29/09/352692909.db2.gz UZQDGVNCHMZKRQ-QMMMGPOBSA-N 1 1 157.282 1.402 10 30 ADEEMO CC(C)(C=O)[N@H+]1C[C@H]2CCCC[C@@H]21 575564115 352694120 /nfs/dbraw/zinc/69/41/20/352694120.db2.gz CJHCSBNTGYHDJA-ZJUUUORDSA-N 1 1 181.279 1.838 10 30 ADEEMO CC(C)(C=O)[N@H+]1C[C@H]2CCCC[C@H]21 575564112 352694152 /nfs/dbraw/zinc/69/41/52/352694152.db2.gz CJHCSBNTGYHDJA-NXEZZACHSA-N 1 1 181.279 1.838 10 30 ADEEMO CC(C)(C=O)[N@H+]1C[C@@H]2CCCC[C@H]21 575564114 352694172 /nfs/dbraw/zinc/69/41/72/352694172.db2.gz CJHCSBNTGYHDJA-VHSXEESVSA-N 1 1 181.279 1.838 10 30 ADEEMO CC(C)(C=O)[N@H+]1C[C@@H]2CCCC[C@@H]21 575564113 352694187 /nfs/dbraw/zinc/69/41/87/352694187.db2.gz CJHCSBNTGYHDJA-UWVGGRQHSA-N 1 1 181.279 1.838 10 30 ADEEMO CC1(C)CC[N@H+]1CCC=O 575564083 352694466 /nfs/dbraw/zinc/69/44/66/352694466.db2.gz BLGGIGDSWATAHA-UHFFFAOYSA-N 1 1 141.214 1.060 10 30 ADEEMO C[C@@H]1CC[N@H+]1C1(C=O)CCCCC1 575564228 352694890 /nfs/dbraw/zinc/69/48/90/352694890.db2.gz DLPUMRXASYCVTL-SNVBAGLBSA-N 1 1 181.279 1.982 10 30 ADEEMO C[C@H]1CC[N@H+]1C1(C=O)CCCCC1 575564226 352695056 /nfs/dbraw/zinc/69/50/56/352695056.db2.gz DLPUMRXASYCVTL-JTQLQIEISA-N 1 1 181.279 1.982 10 30 ADEEMO C[C@H](C=O)[N@H+]1C[C@H]2CCCC[C@H]21 575564611 352696818 /nfs/dbraw/zinc/69/68/18/352696818.db2.gz GNVVBQMQBYCWSV-OPRDCNLKSA-N 1 1 167.252 1.448 10 30 ADEEMO C[C@H](C=O)[N@H+]1C[C@H]2CCCC[C@@H]21 575564606 352697063 /nfs/dbraw/zinc/69/70/63/352697063.db2.gz GNVVBQMQBYCWSV-BBBLOLIVSA-N 1 1 167.252 1.448 10 30 ADEEMO C[C@H](C=O)[N@H+]1C[C@@H]2CCCC[C@@H]21 575564612 352697106 /nfs/dbraw/zinc/69/71/06/352697106.db2.gz GNVVBQMQBYCWSV-UTLUCORTSA-N 1 1 167.252 1.448 10 30 ADEEMO C[C@H](C=O)[N@H+]1C[C@@H]2CCCC[C@H]21 575564609 352697126 /nfs/dbraw/zinc/69/71/26/352697126.db2.gz GNVVBQMQBYCWSV-KXUCPTDWSA-N 1 1 167.252 1.448 10 30 ADEEMO C[C@H]1C[N@H+](C(C)(C)C=O)[C@@H]1C 575564854 352697853 /nfs/dbraw/zinc/69/78/53/352697853.db2.gz IXPHTRASFGEZSB-JGVFFNPUSA-N 1 1 155.241 1.304 10 30 ADEEMO C[C@@H]1C[N@H+](C(C)(C)C=O)[C@@H]1C 575564853 352697866 /nfs/dbraw/zinc/69/78/66/352697866.db2.gz IXPHTRASFGEZSB-HTQZYQBOSA-N 1 1 155.241 1.304 10 30 ADEEMO C[C@H]1[C@H](C)C[N@@H+]1C(C)(C)C=O 575564855 352698112 /nfs/dbraw/zinc/69/81/12/352698112.db2.gz IXPHTRASFGEZSB-SFYZADRCSA-N 1 1 155.241 1.304 10 30 ADEEMO C[C@@H](C=O)[N@H+]1CCC1(C)C 575565097 352699199 /nfs/dbraw/zinc/69/91/99/352699199.db2.gz MHOKFGIENJSSRI-ZETCQYMHSA-N 1 1 141.214 1.058 10 30 ADEEMO O=CC[N@H+]1C[C@H]2CCCC[C@H]21 575565012 352699289 /nfs/dbraw/zinc/69/92/89/352699289.db2.gz LDFLXKHDTIRHCQ-RKDXNWHRSA-N 1 1 153.225 1.060 10 30 ADEEMO O=CC[N@H+]1C[C@@H]2CCCC[C@H]21 575565011 352699399 /nfs/dbraw/zinc/69/93/99/352699399.db2.gz LDFLXKHDTIRHCQ-DTWKUNHWSA-N 1 1 153.225 1.060 10 30 ADEEMO C[C@H](C=O)[N@H+]1CCC1(C)C 575565096 352699528 /nfs/dbraw/zinc/69/95/28/352699528.db2.gz MHOKFGIENJSSRI-SSDOTTSWSA-N 1 1 141.214 1.058 10 30 ADEEMO C[C@@H](C=O)[N@H+]1CCCC2(CC1)CC2 575565487 352701412 /nfs/dbraw/zinc/70/14/12/352701412.db2.gz CBRZSAXAAXTYBZ-JTQLQIEISA-N 1 1 181.279 1.840 10 30 ADEEMO C[C@H](C=O)[N@H+]1CCCC2(CC1)CC2 575565489 352701603 /nfs/dbraw/zinc/70/16/03/352701603.db2.gz CBRZSAXAAXTYBZ-SNVBAGLBSA-N 1 1 181.279 1.840 10 30 ADEEMO O=CCC[N@H+]1C[C@@H]2CCC[C@H]21 575565849 352703278 /nfs/dbraw/zinc/70/32/78/352703278.db2.gz FISQGAJTIIOCDM-DTWKUNHWSA-N 1 1 153.225 1.060 10 30 ADEEMO CC(C)(C=O)[N@H+]1C[C@H]2CCC[C@@H]21 575565765 352703395 /nfs/dbraw/zinc/70/33/95/352703395.db2.gz DGNIUAJWWSDIAI-BDAKNGLRSA-N 1 1 167.252 1.448 10 30 ADEEMO O=CCC[N@H+]1C[C@H]2CCC[C@@H]21 575565845 352703583 /nfs/dbraw/zinc/70/35/83/352703583.db2.gz FISQGAJTIIOCDM-BDAKNGLRSA-N 1 1 153.225 1.060 10 30 ADEEMO CC(C)(C=O)[N@H+]1C[C@H]2CCC[C@H]21 575565773 352703598 /nfs/dbraw/zinc/70/35/98/352703598.db2.gz DGNIUAJWWSDIAI-RKDXNWHRSA-N 1 1 167.252 1.448 10 30 ADEEMO CC(C)(C=O)[N@H+]1C[C@@H]2CCC[C@@H]21 575565771 352703731 /nfs/dbraw/zinc/70/37/31/352703731.db2.gz DGNIUAJWWSDIAI-IUCAKERBSA-N 1 1 167.252 1.448 10 30 ADEEMO CC(C)(C=O)[N@H+]1C[C@@H]2CCC[C@H]21 575565768 352703759 /nfs/dbraw/zinc/70/37/59/352703759.db2.gz DGNIUAJWWSDIAI-DTWKUNHWSA-N 1 1 167.252 1.448 10 30 ADEEMO O=CCC[N@H+]1C[C@H]2CCC[C@H]21 575565859 352704231 /nfs/dbraw/zinc/70/42/31/352704231.db2.gz FISQGAJTIIOCDM-RKDXNWHRSA-N 1 1 153.225 1.060 10 30 ADEEMO O=CCC[N@H+]1C[C@@H]2CCC[C@@H]21 575565856 352704262 /nfs/dbraw/zinc/70/42/62/352704262.db2.gz FISQGAJTIIOCDM-IUCAKERBSA-N 1 1 153.225 1.060 10 30 ADEEMO C[C@H]1CC[N@H+]1C(C)(C)C=O 575566946 352708514 /nfs/dbraw/zinc/70/85/14/352708514.db2.gz VQXNSDMQLRPZDK-ZETCQYMHSA-N 1 1 141.214 1.058 10 30 ADEEMO C[C@@H]1CC[N@H+]1C(C)(C)C=O 575566945 352708716 /nfs/dbraw/zinc/70/87/16/352708716.db2.gz VQXNSDMQLRPZDK-SSDOTTSWSA-N 1 1 141.214 1.058 10 30 ADEEMO CC(C)=CC(=O)[C@@H]1C[NH2+]CC1(F)F 575567264 352710678 /nfs/dbraw/zinc/71/06/78/352710678.db2.gz YVVMDBOISHELOE-ZETCQYMHSA-N 1 1 189.205 1.376 10 30 ADEEMO C[C@@H](C=O)[N@@H+]1CCC(F)(F)C[C@@H]1C 575567480 352711734 /nfs/dbraw/zinc/71/17/34/352711734.db2.gz XFDNNSRWNLMUIX-YUMQZZPRSA-N 1 1 191.221 1.693 10 30 ADEEMO C[C@@H](C=O)[N@H+]1CCC(F)(F)C[C@@H]1C 575567480 352711737 /nfs/dbraw/zinc/71/17/37/352711737.db2.gz XFDNNSRWNLMUIX-YUMQZZPRSA-N 1 1 191.221 1.693 10 30 ADEEMO C[C@H](C=O)[N@@H+]1CCC(F)(F)C[C@H]1C 575567477 352711811 /nfs/dbraw/zinc/71/18/11/352711811.db2.gz XFDNNSRWNLMUIX-HTQZYQBOSA-N 1 1 191.221 1.693 10 30 ADEEMO C[C@H](C=O)[N@H+]1CCC(F)(F)C[C@H]1C 575567477 352711815 /nfs/dbraw/zinc/71/18/15/352711815.db2.gz XFDNNSRWNLMUIX-HTQZYQBOSA-N 1 1 191.221 1.693 10 30 ADEEMO C[C@H]1CC(F)(F)CC[N@H+]1[C@H](C)C=O 575567478 352711926 /nfs/dbraw/zinc/71/19/26/352711926.db2.gz XFDNNSRWNLMUIX-JGVFFNPUSA-N 1 1 191.221 1.693 10 30 ADEEMO C[C@H]1CC(F)(F)CC[N@@H+]1[C@H](C)C=O 575567478 352711928 /nfs/dbraw/zinc/71/19/28/352711928.db2.gz XFDNNSRWNLMUIX-JGVFFNPUSA-N 1 1 191.221 1.693 10 30 ADEEMO CC(C)(C=O)[N@H+]1CCC1(C)C 575567481 352711952 /nfs/dbraw/zinc/71/19/52/352711952.db2.gz XFZPLHBJEFSASL-UHFFFAOYSA-N 1 1 155.241 1.448 10 30 ADEEMO C[C@@H](C=O)[N@@H+]1CCC(F)(F)C[C@H]1C 575567479 352712167 /nfs/dbraw/zinc/71/21/67/352712167.db2.gz XFDNNSRWNLMUIX-SFYZADRCSA-N 1 1 191.221 1.693 10 30 ADEEMO C[C@@H](C=O)[N@H+]1CCC(F)(F)C[C@H]1C 575567479 352712170 /nfs/dbraw/zinc/71/21/70/352712170.db2.gz XFDNNSRWNLMUIX-SFYZADRCSA-N 1 1 191.221 1.693 10 30 ADEEMO CC#CCCN1CCC(C)([NH3+])CC1 575568183 352715169 /nfs/dbraw/zinc/71/51/69/352715169.db2.gz MPZQHGHEDJSTDJ-UHFFFAOYSA-N 1 1 180.295 1.213 10 30 ADEEMO C#C[C@H]([NH2+]C)c1ccns1 575568480 352717244 /nfs/dbraw/zinc/71/72/44/352717244.db2.gz QSFWICAUKWFHBU-LURJTMIESA-N 1 1 152.222 1.037 10 30 ADEEMO C#C[C@@H]([NH2+]C)c1ccns1 575568481 352717274 /nfs/dbraw/zinc/71/72/74/352717274.db2.gz QSFWICAUKWFHBU-ZCFIWIBFSA-N 1 1 152.222 1.037 10 30 ADEEMO C#C[C@@H](CC)N1CCC(C)([NH3+])CC1 575569825 352722505 /nfs/dbraw/zinc/72/25/05/352722505.db2.gz RCYLNDBKJMRBPQ-JTQLQIEISA-N 1 1 180.295 1.211 10 30 ADEEMO C#C[C@H](CC)N1CCC(C)([NH3+])CC1 575569838 352722529 /nfs/dbraw/zinc/72/25/29/352722529.db2.gz RCYLNDBKJMRBPQ-SNVBAGLBSA-N 1 1 180.295 1.211 10 30 ADEEMO C=C(C)CN1CCC(C)([NH3+])CC1 575569755 352722642 /nfs/dbraw/zinc/72/26/42/352722642.db2.gz QVCLSSCFKDJLTK-UHFFFAOYSA-N 1 1 168.284 1.376 10 30 ADEEMO C[C@H]1CC[N@@H+](CCS)C[C@@H](C)O1 575569899 352723180 /nfs/dbraw/zinc/72/31/80/352723180.db2.gz IYGMXCXQSDYVQG-DTWKUNHWSA-N 1 1 189.324 1.416 10 30 ADEEMO C[C@H]1C[N@H+](CCS)CC[C@@H](C)O1 575569887 352723270 /nfs/dbraw/zinc/72/32/70/352723270.db2.gz IYGMXCXQSDYVQG-BDAKNGLRSA-N 1 1 189.324 1.416 10 30 ADEEMO C[C@@H]1CC[N@@H+](CCS)C[C@@H](C)O1 575569958 352723305 /nfs/dbraw/zinc/72/33/05/352723305.db2.gz IYGMXCXQSDYVQG-RKDXNWHRSA-N 1 1 189.324 1.416 10 30 ADEEMO C[C@H]1CC[N@@H+](CCS)C[C@H](C)O1 575569921 352723402 /nfs/dbraw/zinc/72/34/02/352723402.db2.gz IYGMXCXQSDYVQG-IUCAKERBSA-N 1 1 189.324 1.416 10 30 ADEEMO C[C@H](C=O)[N@H+]1CCCC(F)(F)CC1 575570091 352724064 /nfs/dbraw/zinc/72/40/64/352724064.db2.gz KKVHLGNIUGENHG-MRVPVSSYSA-N 1 1 191.221 1.695 10 30 ADEEMO C[C@@H](C=O)[N@@H+]1CCCC(F)(F)CC1 575570095 352724263 /nfs/dbraw/zinc/72/42/63/352724263.db2.gz KKVHLGNIUGENHG-QMMMGPOBSA-N 1 1 191.221 1.695 10 30 ADEEMO C[C@@H](C=O)[N@H+]1CCCC(F)(F)CC1 575570095 352724266 /nfs/dbraw/zinc/72/42/66/352724266.db2.gz KKVHLGNIUGENHG-QMMMGPOBSA-N 1 1 191.221 1.695 10 30 ADEEMO C[C@H](C=O)[N@H+]1C[C@H]2CCC[C@H]21 575570175 352724563 /nfs/dbraw/zinc/72/45/63/352724563.db2.gz WTIGTQKYBQWPBO-IWSPIJDZSA-N 1 1 153.225 1.058 10 30 ADEEMO C[C@H](C=O)[N@H+]1C[C@H]2CCC[C@@H]21 575570172 352724647 /nfs/dbraw/zinc/72/46/47/352724647.db2.gz WTIGTQKYBQWPBO-HLTSFMKQSA-N 1 1 153.225 1.058 10 30 ADEEMO C[C@H](C=O)[N@H+]1C[C@@H]2CCC[C@H]21 575570174 352724747 /nfs/dbraw/zinc/72/47/47/352724747.db2.gz WTIGTQKYBQWPBO-HRDYMLBCSA-N 1 1 153.225 1.058 10 30 ADEEMO C[C@H](C=O)[N@H+]1C[C@@H]2CCC[C@@H]21 575570178 352725110 /nfs/dbraw/zinc/72/51/10/352725110.db2.gz WTIGTQKYBQWPBO-VGMNWLOBSA-N 1 1 153.225 1.058 10 30 ADEEMO SCC[N@H+]1CCC12CCOCC2 575570431 352725588 /nfs/dbraw/zinc/72/55/88/352725588.db2.gz SQEXNVFAUGZSJY-UHFFFAOYSA-N 1 1 187.308 1.171 10 30 ADEEMO SCC[N@H+]1CCOCC12CCC2 575570914 352728346 /nfs/dbraw/zinc/72/83/46/352728346.db2.gz XVQWUOZTGVPVCH-UHFFFAOYSA-N 1 1 187.308 1.171 10 30 ADEEMO O=CC[N@H+]1CC[C@H]2CC[C@@H](C1)S2 575573861 352743925 /nfs/dbraw/zinc/74/39/25/352743925.db2.gz ZFUZOQWXKIIJMB-BDAKNGLRSA-N 1 1 185.292 1.155 10 30 ADEEMO SCCn1cc[nH+]c1C1CC1 575574823 352748170 /nfs/dbraw/zinc/74/81/70/352748170.db2.gz CXRQBIFXAHKLQG-UHFFFAOYSA-N 1 1 168.265 1.690 10 30 ADEEMO C[C@H]1CCCC[N@@H+](CC=O)C1 575575218 352750000 /nfs/dbraw/zinc/75/00/00/352750000.db2.gz FSPZFPYWFYGWJD-VIFPVBQESA-N 1 1 155.241 1.307 10 30 ADEEMO C[C@@H]1CCCC[N@@H+](CC=O)C1 575575217 352750354 /nfs/dbraw/zinc/75/03/54/352750354.db2.gz FSPZFPYWFYGWJD-SECBINFHSA-N 1 1 155.241 1.307 10 30 ADEEMO C[C@@H](C=O)[N@H+]1CCCC[C@@H](C)C1 575575513 352751511 /nfs/dbraw/zinc/75/15/11/352751511.db2.gz KDYGXMYCEUFTNC-ZJUUUORDSA-N 1 1 169.268 1.696 10 30 ADEEMO C[C@@H]1CCCC[N@H+]([C@H](C)C=O)C1 575575500 352751612 /nfs/dbraw/zinc/75/16/12/352751612.db2.gz KDYGXMYCEUFTNC-NXEZZACHSA-N 1 1 169.268 1.696 10 30 ADEEMO C[C@H]1CCCC[N@H+]([C@H](C)C=O)C1 575575507 352751657 /nfs/dbraw/zinc/75/16/57/352751657.db2.gz KDYGXMYCEUFTNC-VHSXEESVSA-N 1 1 169.268 1.696 10 30 ADEEMO C[C@H]1CCCC[N@H+]([C@@H](C)C=O)C1 575575506 352751822 /nfs/dbraw/zinc/75/18/22/352751822.db2.gz KDYGXMYCEUFTNC-UWVGGRQHSA-N 1 1 169.268 1.696 10 30 ADEEMO C[C@H]1CC[C@@H](C)[N@H+]1CCC=O 575575534 352751859 /nfs/dbraw/zinc/75/18/59/352751859.db2.gz AXWDKYKEXDTFGY-DTORHVGOSA-N 1 1 155.241 1.448 10 30 ADEEMO C[C@H]1CC[N@H+]1CC(C)(C)C=O 575576009 352754587 /nfs/dbraw/zinc/75/45/87/352754587.db2.gz IEWUHJZKHMITBQ-QMMMGPOBSA-N 1 1 155.241 1.306 10 30 ADEEMO C[C@@H]1CC[N@H+]1CC(C)(C)C=O 575576007 352754775 /nfs/dbraw/zinc/75/47/75/352754775.db2.gz IEWUHJZKHMITBQ-MRVPVSSYSA-N 1 1 155.241 1.306 10 30 ADEEMO C[C@H]1CC[C@@H](C)[N@H+]1CC=O 575577994 352764442 /nfs/dbraw/zinc/76/44/42/352764442.db2.gz SXXPQIMAMIGLCW-OCAPTIKFSA-N 1 1 141.214 1.058 10 30 ADEEMO C[C@H]1CC[C@@H](C)[N@H+]1C(C)(C)C=O 575577933 352764558 /nfs/dbraw/zinc/76/45/58/352764558.db2.gz RUXWKSQOJNDGSG-DTORHVGOSA-N 1 1 169.268 1.837 10 30 ADEEMO C[C@@]12CCCC[C@H]1C[N@H+]2CC=O 575578511 352767844 /nfs/dbraw/zinc/76/78/44/352767844.db2.gz XGEDQXLDUHMVNG-VHSXEESVSA-N 1 1 167.252 1.450 10 30 ADEEMO C[C@@]12CCCC[C@@H]1C[N@H+]2CC=O 575578509 352767861 /nfs/dbraw/zinc/76/78/61/352767861.db2.gz XGEDQXLDUHMVNG-NXEZZACHSA-N 1 1 167.252 1.450 10 30 ADEEMO C[C@]12CCCC[C@H]1C[N@H+]2CC=O 575578510 352767911 /nfs/dbraw/zinc/76/79/11/352767911.db2.gz XGEDQXLDUHMVNG-UWVGGRQHSA-N 1 1 167.252 1.450 10 30 ADEEMO C[C@H](C=O)[N@H+]1C[C@@H]2CCCC[C@]21C 575578649 352768575 /nfs/dbraw/zinc/76/85/75/352768575.db2.gz XSYSOQHLCMDZLD-OUAUKWLOSA-N 1 1 181.279 1.838 10 30 ADEEMO C[C@]12CCCC[C@@H]1C[N@H+]2CC=O 575578637 352768593 /nfs/dbraw/zinc/76/85/93/352768593.db2.gz XGEDQXLDUHMVNG-ZJUUUORDSA-N 1 1 167.252 1.450 10 30 ADEEMO C[C@H](C=O)[N@H+]1C[C@H]2CCCC[C@@]21C 575578648 352768618 /nfs/dbraw/zinc/76/86/18/352768618.db2.gz XSYSOQHLCMDZLD-MXWKQRLJSA-N 1 1 181.279 1.838 10 30 ADEEMO C[C@H](C=O)[N@H+]1C[C@H]2CCCC[C@]21C 575578647 352768715 /nfs/dbraw/zinc/76/87/15/352768715.db2.gz XSYSOQHLCMDZLD-GMTAPVOTSA-N 1 1 181.279 1.838 10 30 ADEEMO C[C@H](C=O)[N@H+]1C[C@@H]2CCCC[C@@]21C 575578650 352768731 /nfs/dbraw/zinc/76/87/31/352768731.db2.gz XSYSOQHLCMDZLD-VWYCJHECSA-N 1 1 181.279 1.838 10 30 ADEEMO C/C=C/C(=O)[C@H]1CCCC[N@H+]1C 575578929 352769495 /nfs/dbraw/zinc/76/94/95/352769495.db2.gz FZZWJFISOKFWRA-BSPAPZMXSA-N 1 1 167.252 1.616 10 30 ADEEMO C/C=C/C(=O)[C@@H]1CCCC[N@H+]1C 575578931 352770248 /nfs/dbraw/zinc/77/02/48/352770248.db2.gz FZZWJFISOKFWRA-SWTNXBIASA-N 1 1 167.252 1.616 10 30 ADEEMO C/C=C/C(=O)[C@H]1CC[N@@H+](C)C1 575579689 352772730 /nfs/dbraw/zinc/77/27/30/352772730.db2.gz LVGFDFFFHWMJSR-RTMURIBGSA-N 1 1 153.225 1.083 10 30 ADEEMO C/C=C/C(=O)[C@H]1CCC[N@H+]1C 575579695 352772739 /nfs/dbraw/zinc/77/27/39/352772739.db2.gz LXTRYVIYQZWXGY-RYEJSQLPSA-N 1 1 153.225 1.226 10 30 ADEEMO C/C=C/C(=O)[C@@H]1CCC[N@H+]1C 575579696 352772785 /nfs/dbraw/zinc/77/27/85/352772785.db2.gz LXTRYVIYQZWXGY-WGAJWPLOSA-N 1 1 153.225 1.226 10 30 ADEEMO C/C=C/C(=O)[C@@H]1CC[N@@H+](C)C1 575579688 352773061 /nfs/dbraw/zinc/77/30/61/352773061.db2.gz LVGFDFFFHWMJSR-MPJRPATESA-N 1 1 153.225 1.083 10 30 ADEEMO C[C@H](C=O)[N@H+]1C[C@H]2CCCCC[C@@H]21 575580511 352777736 /nfs/dbraw/zinc/77/77/36/352777736.db2.gz COLBWJWHXXDHQY-MXWKQRLJSA-N 1 1 181.279 1.838 10 30 ADEEMO C[C@H](C=O)[N@H+]1C[C@@H]2CCCCC[C@H]21 575580512 352777771 /nfs/dbraw/zinc/77/77/71/352777771.db2.gz COLBWJWHXXDHQY-OUAUKWLOSA-N 1 1 181.279 1.838 10 30 ADEEMO C[C@H](C=O)[N@H+]1C[C@@H]2CCCCC[C@@H]21 575580513 352778084 /nfs/dbraw/zinc/77/80/84/352778084.db2.gz COLBWJWHXXDHQY-VWYCJHECSA-N 1 1 181.279 1.838 10 30 ADEEMO C[C@H](C=O)[N@H+]1C[C@H]2CCCCC[C@H]21 575580510 352778326 /nfs/dbraw/zinc/77/83/26/352778326.db2.gz COLBWJWHXXDHQY-GMTAPVOTSA-N 1 1 181.279 1.838 10 30 ADEEMO C#C[C@@H]([NH3+])c1csc(CC)n1 575582847 352789633 /nfs/dbraw/zinc/78/96/33/352789633.db2.gz IFTTVUXMOJANRX-ZCFIWIBFSA-N 1 1 166.249 1.339 10 30 ADEEMO C#C[C@H]([NH3+])c1csc(CC)n1 575582846 352789904 /nfs/dbraw/zinc/78/99/04/352789904.db2.gz IFTTVUXMOJANRX-LURJTMIESA-N 1 1 166.249 1.339 10 30 ADEEMO O=CC[N@H+]1C[C@H]2CCCCC[C@@H]21 575587667 352813390 /nfs/dbraw/zinc/81/33/90/352813390.db2.gz KKVNXHVOZYQCEF-ZJUUUORDSA-N 1 1 167.252 1.450 10 30 ADEEMO O=CC[N@H+]1C[C@@H]2CCCCC[C@H]21 575587666 352813488 /nfs/dbraw/zinc/81/34/88/352813488.db2.gz KKVNXHVOZYQCEF-VHSXEESVSA-N 1 1 167.252 1.450 10 30 ADEEMO O=CC[N@H+]1C[C@@H]2CCCCC[C@@H]21 575587661 352813532 /nfs/dbraw/zinc/81/35/32/352813532.db2.gz KKVNXHVOZYQCEF-UWVGGRQHSA-N 1 1 167.252 1.450 10 30 ADEEMO O=CC[N@H+]1C[C@H]2CCCCC[C@H]21 575587660 352813656 /nfs/dbraw/zinc/81/36/56/352813656.db2.gz KKVNXHVOZYQCEF-NXEZZACHSA-N 1 1 167.252 1.450 10 30 ADEEMO SCC[N@H+]1CC[C@@]2(CCOC2)C1 575588379 352817545 /nfs/dbraw/zinc/81/75/45/352817545.db2.gz JIRMBGSXLJNTSH-SECBINFHSA-N 1 1 187.308 1.029 10 30 ADEEMO CC(C)(C=O)[N@H+]1CCC12CCC2 575588437 352817663 /nfs/dbraw/zinc/81/76/63/352817663.db2.gz BLSARJCWKCBEAK-UHFFFAOYSA-N 1 1 167.252 1.592 10 30 ADEEMO SCC[N@H+]1CC[C@]2(CCOC2)C1 575588383 352817680 /nfs/dbraw/zinc/81/76/80/352817680.db2.gz JIRMBGSXLJNTSH-VIFPVBQESA-N 1 1 187.308 1.029 10 30 ADEEMO CC(C)(C=O)[N@H+]1CC[C@H]2C[C@H]21 575591012 352830406 /nfs/dbraw/zinc/83/04/06/352830406.db2.gz VALLYNJFUDGSRX-JGVFFNPUSA-N 1 1 153.225 1.058 10 30 ADEEMO CC(C)(C=O)[N@H+]1CC[C@@H]2C[C@@H]21 575591014 352830726 /nfs/dbraw/zinc/83/07/26/352830726.db2.gz VALLYNJFUDGSRX-SFYZADRCSA-N 1 1 153.225 1.058 10 30 ADEEMO C[C@H](C=O)[N@H+]1CCC12CCC2 575592253 352837388 /nfs/dbraw/zinc/83/73/88/352837388.db2.gz PKIJTYZGXYPKSW-MRVPVSSYSA-N 1 1 153.225 1.202 10 30 ADEEMO C[C@@H](C=O)[N@H+]1CCC12CCC2 575592256 352837550 /nfs/dbraw/zinc/83/75/50/352837550.db2.gz PKIJTYZGXYPKSW-QMMMGPOBSA-N 1 1 153.225 1.202 10 30 ADEEMO CC(C)(C=O)[N@H+]1CCC12CCCC2 575595366 352854858 /nfs/dbraw/zinc/85/48/58/352854858.db2.gz FNPAWLPHEDIDCJ-UHFFFAOYSA-N 1 1 181.279 1.982 10 30 ADEEMO C[C@@H](C=O)[N@H+]1CCC12CCCC2 575595523 352856012 /nfs/dbraw/zinc/85/60/12/352856012.db2.gz NGHIFMGCDMJFFL-VIFPVBQESA-N 1 1 167.252 1.592 10 30 ADEEMO C[C@H](C=O)[N@H+]1CCC12CCCCC2 575595687 352856095 /nfs/dbraw/zinc/85/60/95/352856095.db2.gz SSJHGLRGUKYBCP-SNVBAGLBSA-N 1 1 181.279 1.982 10 30 ADEEMO C[C@H](C=O)[N@H+]1CCC12CCCC2 575595522 352856113 /nfs/dbraw/zinc/85/61/13/352856113.db2.gz NGHIFMGCDMJFFL-SECBINFHSA-N 1 1 167.252 1.592 10 30 ADEEMO O=CC[N@H+]1CCC12CCCCC2 575595668 352856216 /nfs/dbraw/zinc/85/62/16/352856216.db2.gz SARHDWRBMIKLME-UHFFFAOYSA-N 1 1 167.252 1.594 10 30 ADEEMO C[C@@H](C=O)[N@H+]1CCC12CCCCC2 575595686 352856310 /nfs/dbraw/zinc/85/63/10/352856310.db2.gz SSJHGLRGUKYBCP-JTQLQIEISA-N 1 1 181.279 1.982 10 30 ADEEMO O=CC[N@H+]1CCC12CCCC2 575595652 352856352 /nfs/dbraw/zinc/85/63/52/352856352.db2.gz QHNDXTSBNLSEPL-UHFFFAOYSA-N 1 1 153.225 1.204 10 30 ADEEMO Cc1cc(C[NH2+]CCC#N)cc(C)n1 591770902 352918410 /nfs/dbraw/zinc/91/84/10/352918410.db2.gz FDFIPUYPXLHAJV-UHFFFAOYSA-N 1 1 189.262 1.702 10 30 ADEEMO CO[C@@H]1CC[N@@H+](CCCC#N)C[C@@H]1C 595519734 352920419 /nfs/dbraw/zinc/92/04/19/352920419.db2.gz BYKGCAGMAVPQSM-WDEREUQCSA-N 1 1 196.294 1.647 10 30 ADEEMO N#CCC[N@H+]1CCC[C@H](CCF)C1 595755144 352921478 /nfs/dbraw/zinc/92/14/78/352921478.db2.gz HEQGLUVKWSJQAC-SNVBAGLBSA-N 1 1 184.258 1.972 10 30 ADEEMO N#CCC[N@@H+]1CCC[C@H](CCF)C1 595755144 352921481 /nfs/dbraw/zinc/92/14/81/352921481.db2.gz HEQGLUVKWSJQAC-SNVBAGLBSA-N 1 1 184.258 1.972 10 30 ADEEMO N#CCC[N@H+]1CCC[C@](O)(C2CC2)C1 595751431 352921511 /nfs/dbraw/zinc/92/15/11/352921511.db2.gz QJNPTVJHBZFUGN-LLVKDONJSA-N 1 1 194.278 1.137 10 30 ADEEMO N#CCC[N@@H+]1CCC[C@](O)(C2CC2)C1 595751431 352921514 /nfs/dbraw/zinc/92/15/14/352921514.db2.gz QJNPTVJHBZFUGN-LLVKDONJSA-N 1 1 194.278 1.137 10 30 ADEEMO N#CCC[N@H+]1CCC[C@@H](CCF)C1 595755143 352921520 /nfs/dbraw/zinc/92/15/20/352921520.db2.gz HEQGLUVKWSJQAC-JTQLQIEISA-N 1 1 184.258 1.972 10 30 ADEEMO N#CCC[N@@H+]1CCC[C@@H](CCF)C1 595755143 352921523 /nfs/dbraw/zinc/92/15/23/352921523.db2.gz HEQGLUVKWSJQAC-JTQLQIEISA-N 1 1 184.258 1.972 10 30 ADEEMO N#CCC[N@H+]1CCC[C@@](O)(C2CC2)C1 595751432 352921577 /nfs/dbraw/zinc/92/15/77/352921577.db2.gz QJNPTVJHBZFUGN-NSHDSACASA-N 1 1 194.278 1.137 10 30 ADEEMO N#CCC[N@@H+]1CCC[C@@](O)(C2CC2)C1 595751432 352921581 /nfs/dbraw/zinc/92/15/81/352921581.db2.gz QJNPTVJHBZFUGN-NSHDSACASA-N 1 1 194.278 1.137 10 30 ADEEMO C[C@@H](O)CCC[N@H+]1CC[C@](C)(C#N)C1 595844834 352922560 /nfs/dbraw/zinc/92/25/60/352922560.db2.gz WDRBNFUCLBWQPC-GHMZBOCLSA-N 1 1 196.294 1.383 10 30 ADEEMO C[C@@H](O)CCC[N@H+]1CC[C@@](C)(C#N)C1 595844835 352922595 /nfs/dbraw/zinc/92/25/95/352922595.db2.gz WDRBNFUCLBWQPC-MNOVXSKESA-N 1 1 196.294 1.383 10 30 ADEEMO C[C@H](O)CCC[N@H+]1CC[C@](C)(C#N)C1 595844837 352922606 /nfs/dbraw/zinc/92/26/06/352922606.db2.gz WDRBNFUCLBWQPC-WDEREUQCSA-N 1 1 196.294 1.383 10 30 ADEEMO C=C(C)[C@@H](CO)[N@@H+]1CC[C@](C)(C#N)C1 595843999 352922618 /nfs/dbraw/zinc/92/26/18/352922618.db2.gz OIHWMTADQQLMER-GHMZBOCLSA-N 1 1 194.278 1.159 10 30 ADEEMO C=C(C)[C@@H](CO)[N@H+]1CC[C@](C)(C#N)C1 595843999 352922621 /nfs/dbraw/zinc/92/26/21/352922621.db2.gz OIHWMTADQQLMER-GHMZBOCLSA-N 1 1 194.278 1.159 10 30 ADEEMO C=C(C)[C@@H](CO)[N@@H+]1CC[C@@](C)(C#N)C1 595844000 352922650 /nfs/dbraw/zinc/92/26/50/352922650.db2.gz OIHWMTADQQLMER-MNOVXSKESA-N 1 1 194.278 1.159 10 30 ADEEMO C=C(C)[C@@H](CO)[N@H+]1CC[C@@](C)(C#N)C1 595844000 352922651 /nfs/dbraw/zinc/92/26/51/352922651.db2.gz OIHWMTADQQLMER-MNOVXSKESA-N 1 1 194.278 1.159 10 30 ADEEMO C=C(C)[C@H](CO)[N@@H+]1CC[C@](C)(C#N)C1 595844002 352922686 /nfs/dbraw/zinc/92/26/86/352922686.db2.gz OIHWMTADQQLMER-WDEREUQCSA-N 1 1 194.278 1.159 10 30 ADEEMO C=C(C)[C@H](CO)[N@H+]1CC[C@](C)(C#N)C1 595844002 352922689 /nfs/dbraw/zinc/92/26/89/352922689.db2.gz OIHWMTADQQLMER-WDEREUQCSA-N 1 1 194.278 1.159 10 30 ADEEMO CC[C@@](C)(O)C[N@H+]1CC[C@@](C)(C#N)C1 595844302 352922718 /nfs/dbraw/zinc/92/27/18/352922718.db2.gz RZCDJXKAFDNEPU-WDEREUQCSA-N 1 1 196.294 1.383 10 30 ADEEMO CC[C@](C)(O)C[N@H+]1CC[C@](C)(C#N)C1 595844298 352922725 /nfs/dbraw/zinc/92/27/25/352922725.db2.gz RZCDJXKAFDNEPU-MNOVXSKESA-N 1 1 196.294 1.383 10 30 ADEEMO CO[C@@H](C)C[N@H+]1CC[C@@](C)(C#N)C1 595843561 352922745 /nfs/dbraw/zinc/92/27/45/352922745.db2.gz LGBSWZDKOFOSRP-UWVGGRQHSA-N 1 1 182.267 1.257 10 30 ADEEMO C[C@H](O)CCC[N@H+]1CC[C@@](C)(C#N)C1 595844836 352922761 /nfs/dbraw/zinc/92/27/61/352922761.db2.gz WDRBNFUCLBWQPC-QWRGUYRKSA-N 1 1 196.294 1.383 10 30 ADEEMO CO[C@@H](C)C[N@H+]1CC[C@](C)(C#N)C1 595843564 352922772 /nfs/dbraw/zinc/92/27/72/352922772.db2.gz LGBSWZDKOFOSRP-VHSXEESVSA-N 1 1 182.267 1.257 10 30 ADEEMO CC[C@](C)(O)C[N@H+]1CC[C@@](C)(C#N)C1 595844299 352922780 /nfs/dbraw/zinc/92/27/80/352922780.db2.gz RZCDJXKAFDNEPU-QWRGUYRKSA-N 1 1 196.294 1.383 10 30 ADEEMO CO[C@H](C)C[N@H+]1CC[C@@](C)(C#N)C1 595843565 352922834 /nfs/dbraw/zinc/92/28/34/352922834.db2.gz LGBSWZDKOFOSRP-ZJUUUORDSA-N 1 1 182.267 1.257 10 30 ADEEMO C=C(C)[C@H](CO)[N@@H+]1CC[C@@](C)(C#N)C1 595844001 352922868 /nfs/dbraw/zinc/92/28/68/352922868.db2.gz OIHWMTADQQLMER-QWRGUYRKSA-N 1 1 194.278 1.159 10 30 ADEEMO C=C(C)[C@H](CO)[N@H+]1CC[C@@](C)(C#N)C1 595844001 352922870 /nfs/dbraw/zinc/92/28/70/352922870.db2.gz OIHWMTADQQLMER-QWRGUYRKSA-N 1 1 194.278 1.159 10 30 ADEEMO C=CC[N@H+](C)[C@H]1C[C@@H](C(=O)OC)C1 595849217 352922896 /nfs/dbraw/zinc/92/28/96/352922896.db2.gz CATNUTXWCDCMQO-DTORHVGOSA-N 1 1 183.251 1.056 10 30 ADEEMO CC#CC[N@H+](CCOC)C1CCCC1 607726375 352926591 /nfs/dbraw/zinc/92/65/91/352926591.db2.gz HWIXDWDSJGPPOD-UHFFFAOYSA-N 1 1 195.306 1.901 10 30 ADEEMO CC#CC[N@@H+](C(C)C)C1CC1 607726254 352926773 /nfs/dbraw/zinc/92/67/73/352926773.db2.gz HFPWSQFTMGTZIJ-UHFFFAOYSA-N 1 1 151.253 1.883 10 30 ADEEMO CN(CCC#N)CC[C@H]1CCC[N@H+]1C 611243718 352928665 /nfs/dbraw/zinc/92/86/65/352928665.db2.gz GDCSAPVPMDPWJV-LLVKDONJSA-N 1 1 195.310 1.316 10 30 ADEEMO C[C@H](C#N)C[N@H+](C[C@H](C)CO)C1CC1 611236326 352928731 /nfs/dbraw/zinc/92/87/31/352928731.db2.gz TYKDTCHGYQCQCU-ZJUUUORDSA-N 1 1 196.294 1.239 10 30 ADEEMO CN(CCC#N)CC[C@@H]1CCC[N@H+]1C 611243719 352928886 /nfs/dbraw/zinc/92/88/86/352928886.db2.gz GDCSAPVPMDPWJV-NSHDSACASA-N 1 1 195.310 1.316 10 30 ADEEMO C[C@H](C#N)C[N@H+](C[C@@H](C)CO)C1CC1 611236323 352929001 /nfs/dbraw/zinc/92/90/01/352929001.db2.gz TYKDTCHGYQCQCU-NXEZZACHSA-N 1 1 196.294 1.239 10 30 ADEEMO C[C@@H](C#N)C[N@H+](C[C@@H](C)CO)C1CC1 611236325 352929020 /nfs/dbraw/zinc/92/90/20/352929020.db2.gz TYKDTCHGYQCQCU-VHSXEESVSA-N 1 1 196.294 1.239 10 30 ADEEMO C[C@H](CO)C[N@@H+](C[C@@H](C)C#N)C1CC1 611236324 352929078 /nfs/dbraw/zinc/92/90/78/352929078.db2.gz TYKDTCHGYQCQCU-UWVGGRQHSA-N 1 1 196.294 1.239 10 30 ADEEMO CC(C)[N@@H+](C[C@@H](C)O)CC1(C#N)CC1 611429649 352929449 /nfs/dbraw/zinc/92/94/49/352929449.db2.gz FAPUDKFXCGSLKA-SNVBAGLBSA-N 1 1 196.294 1.381 10 30 ADEEMO CC(C)[N@@H+](C[C@H](C)O)CC1(C#N)CC1 611429648 352929455 /nfs/dbraw/zinc/92/94/55/352929455.db2.gz FAPUDKFXCGSLKA-JTQLQIEISA-N 1 1 196.294 1.381 10 30 ADEEMO C/[N+](O)=C\c1cccs1 616582639 352932290 /nfs/dbraw/zinc/93/22/90/352932290.db2.gz OJKYQANRCHUHGY-FNORWQNLSA-N 1 1 142.203 1.199 10 30 ADEEMO C=CCCC[N@H+]1C[C@@H]2CCC[C@H](C1)N2 643064480 352935863 /nfs/dbraw/zinc/93/58/63/352935863.db2.gz KAGVCFKPEFCDGB-TXEJJXNPSA-N 1 1 194.322 1.779 10 30 ADEEMO C=CCCCN1C[C@@H]2CCC[C@H](C1)[NH2+]2 643064480 352935865 /nfs/dbraw/zinc/93/58/65/352935865.db2.gz KAGVCFKPEFCDGB-TXEJJXNPSA-N 1 1 194.322 1.779 10 30 ADEEMO C=C(C)CC[N@@H+]1CC[C@@H](C(=O)NC)C1 643254591 352941533 /nfs/dbraw/zinc/94/15/33/352941533.db2.gz RILGSIMFFHTNSL-SNVBAGLBSA-N 1 1 196.294 1.021 10 30 ADEEMO C=C(CC)C[N@H+]1CC[C@@H](C(=O)NC)C1 643254620 352941658 /nfs/dbraw/zinc/94/16/58/352941658.db2.gz HQFNAKAHFGODCS-SNVBAGLBSA-N 1 1 196.294 1.021 10 30 ADEEMO C=C(C)CC[N@@H+]1CC[C@H](C(=O)NC)C1 643254590 352941710 /nfs/dbraw/zinc/94/17/10/352941710.db2.gz RILGSIMFFHTNSL-JTQLQIEISA-N 1 1 196.294 1.021 10 30 ADEEMO C=C(CC)C[N@H+]1CC[C@H](C(=O)NC)C1 643254619 352941772 /nfs/dbraw/zinc/94/17/72/352941772.db2.gz HQFNAKAHFGODCS-JTQLQIEISA-N 1 1 196.294 1.021 10 30 ADEEMO C=CCCC[N@@H+]1CC[C@H](C(=O)NC)C1 643254653 352942357 /nfs/dbraw/zinc/94/23/57/352942357.db2.gz RWOZOMPJRIOLGV-JTQLQIEISA-N 1 1 196.294 1.021 10 30 ADEEMO C=CCCC[N@@H+]1CC[C@@H](C(=O)NC)C1 643254654 352942507 /nfs/dbraw/zinc/94/25/07/352942507.db2.gz RWOZOMPJRIOLGV-SNVBAGLBSA-N 1 1 196.294 1.021 10 30 ADEEMO C=C(C)CN(C)C[C@H]1CCC[N@H+]1C 643255989 352942578 /nfs/dbraw/zinc/94/25/78/352942578.db2.gz CBJHEARPORHAES-LLVKDONJSA-N 1 1 182.311 1.589 10 30 ADEEMO C=C(C)C[N@@H+](C)C[C@H]1CCCN1C 643255989 352942580 /nfs/dbraw/zinc/94/25/80/352942580.db2.gz CBJHEARPORHAES-LLVKDONJSA-N 1 1 182.311 1.589 10 30 ADEEMO C=C(C)C[N@H+](C)C[C@H]1CCCN1C 643255989 352942584 /nfs/dbraw/zinc/94/25/84/352942584.db2.gz CBJHEARPORHAES-LLVKDONJSA-N 1 1 182.311 1.589 10 30 ADEEMO CC#CCN(C)C[C@H]1CCC[N@H+]1C 643256251 352942599 /nfs/dbraw/zinc/94/25/99/352942599.db2.gz FRUUOYZGOQLKHC-LLVKDONJSA-N 1 1 180.295 1.036 10 30 ADEEMO CC#CCN(C)C[C@@H]1CCC[N@H+]1C 643256252 352942627 /nfs/dbraw/zinc/94/26/27/352942627.db2.gz FRUUOYZGOQLKHC-NSHDSACASA-N 1 1 180.295 1.036 10 30 ADEEMO C=C(C)CN(C)C[C@@H]1CCC[N@H+]1C 643255990 352942643 /nfs/dbraw/zinc/94/26/43/352942643.db2.gz CBJHEARPORHAES-NSHDSACASA-N 1 1 182.311 1.589 10 30 ADEEMO C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C 643255990 352942644 /nfs/dbraw/zinc/94/26/44/352942644.db2.gz CBJHEARPORHAES-NSHDSACASA-N 1 1 182.311 1.589 10 30 ADEEMO C=C(C)C[N@H+](C)C[C@@H]1CCCN1C 643255990 352942648 /nfs/dbraw/zinc/94/26/48/352942648.db2.gz CBJHEARPORHAES-NSHDSACASA-N 1 1 182.311 1.589 10 30 ADEEMO CC#CCC[N@@H+](C(C)C)[C@@H]1CCOC1 643387662 352950090 /nfs/dbraw/zinc/95/00/90/352950090.db2.gz KLMOEFVPHXLCEF-GFCCVEGCSA-N 1 1 195.306 1.899 10 30 ADEEMO CC#CCC[N@H+](CC)[C@H]1CCOC1 643399210 352950132 /nfs/dbraw/zinc/95/01/32/352950132.db2.gz PZFDFSKUCQNQKJ-NSHDSACASA-N 1 1 181.279 1.511 10 30 ADEEMO CC#CCC[N@H+](CC)[C@@H]1CCOC1 643399209 352950234 /nfs/dbraw/zinc/95/02/34/352950234.db2.gz PZFDFSKUCQNQKJ-LLVKDONJSA-N 1 1 181.279 1.511 10 30 ADEEMO CC#CCC[N@@H+](C(C)C)[C@H]1CCOC1 643387663 352950342 /nfs/dbraw/zinc/95/03/42/352950342.db2.gz KLMOEFVPHXLCEF-LBPRGKRZSA-N 1 1 195.306 1.899 10 30 ADEEMO CC#CC[N@H+](CC)[C@H]1CCOC1 643399253 352950368 /nfs/dbraw/zinc/95/03/68/352950368.db2.gz ZOMNDPNFIGIFGP-JTQLQIEISA-N 1 1 167.252 1.121 10 30 ADEEMO CC#CC[N@H+](CC)[C@@H]1CCOC1 643399254 352951328 /nfs/dbraw/zinc/95/13/28/352951328.db2.gz ZOMNDPNFIGIFGP-SNVBAGLBSA-N 1 1 167.252 1.121 10 30 ADEEMO C=CC(C)(C)C[NH2+][C@H]1CCC[C@@H]1N 643492792 352965998 /nfs/dbraw/zinc/96/59/98/352965998.db2.gz GDUIOWAZOSRBEK-UWVGGRQHSA-N 1 1 182.311 1.668 10 30 ADEEMO C=CC(C)(C)C[NH2+][C@H]1CCC[C@H]1N 643492794 352966152 /nfs/dbraw/zinc/96/61/52/352966152.db2.gz GDUIOWAZOSRBEK-ZJUUUORDSA-N 1 1 182.311 1.668 10 30 ADEEMO C=CC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1N 643492793 352966187 /nfs/dbraw/zinc/96/61/87/352966187.db2.gz GDUIOWAZOSRBEK-VHSXEESVSA-N 1 1 182.311 1.668 10 30 ADEEMO C=CC(C)(C)C[NH2+][C@@H]1CCC[C@H]1N 643492791 352966443 /nfs/dbraw/zinc/96/64/43/352966443.db2.gz GDUIOWAZOSRBEK-NXEZZACHSA-N 1 1 182.311 1.668 10 30 ADEEMO C=C(CC)C[NH2+][C@@H]1CNCC[C@H]1C 643493455 352967064 /nfs/dbraw/zinc/96/70/64/352967064.db2.gz FJPORBYNYYBTST-GHMZBOCLSA-N 1 1 182.311 1.540 10 30 ADEEMO C=C(CC)C[NH2+][C@@H]1CNCC[C@@H]1C 643493458 352967282 /nfs/dbraw/zinc/96/72/82/352967282.db2.gz FJPORBYNYYBTST-WDEREUQCSA-N 1 1 182.311 1.540 10 30 ADEEMO C=C(CC)C[NH2+][C@H]1CNCC[C@H]1C 643493456 352967319 /nfs/dbraw/zinc/96/73/19/352967319.db2.gz FJPORBYNYYBTST-MNOVXSKESA-N 1 1 182.311 1.540 10 30 ADEEMO C=C(CC)C[NH2+][C@H]1CNCC[C@@H]1C 643493457 352967616 /nfs/dbraw/zinc/96/76/16/352967616.db2.gz FJPORBYNYYBTST-QWRGUYRKSA-N 1 1 182.311 1.540 10 30 ADEEMO C=CCC[C@@H](CC)NC1C[NH2+]C1 643509645 352980799 /nfs/dbraw/zinc/98/07/99/352980799.db2.gz CHAGQBDPMIUTIW-SECBINFHSA-N 1 1 168.284 1.293 10 30 ADEEMO C=CCC[C@H](CC)NC1C[NH2+]C1 643509646 352981173 /nfs/dbraw/zinc/98/11/73/352981173.db2.gz CHAGQBDPMIUTIW-VIFPVBQESA-N 1 1 168.284 1.293 10 30 ADEEMO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@H](C)N 643539924 353001555 /nfs/dbraw/zinc/00/15/55/353001555.db2.gz VDAPTKIWMZQMDL-NAKRPEOUSA-N 1 1 184.327 1.912 10 30 ADEEMO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)[C@H](C)N 643539926 353001610 /nfs/dbraw/zinc/00/16/10/353001610.db2.gz VDAPTKIWMZQMDL-XWLWVQCSSA-N 1 1 184.327 1.912 10 30 ADEEMO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@@H](C)N 643539925 353001698 /nfs/dbraw/zinc/00/16/98/353001698.db2.gz VDAPTKIWMZQMDL-VLEAKVRGSA-N 1 1 184.327 1.912 10 30 ADEEMO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)[C@@H](C)N 643539927 353001721 /nfs/dbraw/zinc/00/17/21/353001721.db2.gz VDAPTKIWMZQMDL-ZRUFSTJUSA-N 1 1 184.327 1.912 10 30 ADEEMO CN(C)C=[NH+]c1ccc(O)cc1 16163050 371622569 /nfs/dbraw/zinc/62/25/69/371622569.db2.gz YXTSZBNGJXQOIM-UHFFFAOYSA-N 1 1 164.208 1.614 10 30 ADEEMO CC#CCN1C[C@H]2CCC[N@H+]2C[C@@H]1C 126258260 371661850 /nfs/dbraw/zinc/66/18/50/371661850.db2.gz DQCKOOMCTHXLGF-NWDGAFQWSA-N 1 1 192.306 1.178 10 30 ADEEMO CC#CCN1C[C@@H]2CCC[N@H+]2C[C@@H]1C 126258036 371661878 /nfs/dbraw/zinc/66/18/78/371661878.db2.gz DQCKOOMCTHXLGF-RYUDHWBXSA-N 1 1 192.306 1.178 10 30 ADEEMO C[C@@H]1C[C@@H](C)[N@@H+](CCC=O)C1 158054454 371666667 /nfs/dbraw/zinc/66/66/67/371666667.db2.gz SMYIOTNBQSUZMR-RKDXNWHRSA-N 1 1 155.241 1.306 10 30 ADEEMO C[C@H]1C[C@@H](C)C[N@@H+]1CCC=O 158054168 371666725 /nfs/dbraw/zinc/66/67/25/371666725.db2.gz SMYIOTNBQSUZMR-BDAKNGLRSA-N 1 1 155.241 1.306 10 30 ADEEMO C[C@H]1C[C@H](C)[N@@H+](CCC=O)C1 158054313 371666819 /nfs/dbraw/zinc/66/68/19/371666819.db2.gz SMYIOTNBQSUZMR-IUCAKERBSA-N 1 1 155.241 1.306 10 30 ADEEMO C[C@H]1C[C@@H](C)[N@@H+](CCC=O)C1 158054578 371666852 /nfs/dbraw/zinc/66/68/52/371666852.db2.gz SMYIOTNBQSUZMR-DTWKUNHWSA-N 1 1 155.241 1.306 10 30 ADEEMO C=C(C)CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C 161199249 371670720 /nfs/dbraw/zinc/67/07/20/371670720.db2.gz IZRXXGWHPPDGLD-NWDGAFQWSA-N 1 1 194.322 1.731 10 30 ADEEMO C=C(C)CN1C[C@H]2CCC[N@@H+]2C[C@H]1C 161199116 371670868 /nfs/dbraw/zinc/67/08/68/371670868.db2.gz IZRXXGWHPPDGLD-VXGBXAGGSA-N 1 1 194.322 1.731 10 30 ADEEMO C=C(C)C[NH2+]Cc1ncnn1C(C)C 167537281 371682792 /nfs/dbraw/zinc/68/27/92/371682792.db2.gz ZPOCFWKBQLGZOC-UHFFFAOYSA-N 1 1 194.282 1.525 10 30 ADEEMO CCN[C@@]1(C#N)CC[N@H+]2CCC[C@H]2C1 250664065 371735187 /nfs/dbraw/zinc/73/51/87/371735187.db2.gz RCFHWRUONMJVDD-QWRGUYRKSA-N 1 1 193.294 1.116 10 30 ADEEMO CCN[C@]1(C#N)CC[N@H+]2CCC[C@H]2C1 250664067 371735321 /nfs/dbraw/zinc/73/53/21/371735321.db2.gz RCFHWRUONMJVDD-WDEREUQCSA-N 1 1 193.294 1.116 10 30 ADEEMO C=C(CC)C[N@H+]1CC[C@H](O)C1(C)C 306264405 371747662 /nfs/dbraw/zinc/74/76/62/371747662.db2.gz CIALSFGMBDVBAO-JTQLQIEISA-N 1 1 183.295 1.798 10 30 ADEEMO C=C(CC)C[N@H+]1CC[C@@H](O)C1(C)C 306264409 371747969 /nfs/dbraw/zinc/74/79/69/371747969.db2.gz CIALSFGMBDVBAO-SNVBAGLBSA-N 1 1 183.295 1.798 10 30 ADEEMO C=CCC[N@H+]1C[C@@H]2CC[C@H](C1)O2 306340707 371751530 /nfs/dbraw/zinc/75/15/30/371751530.db2.gz WTVVGTHHSKCNLI-AOOOYVTPSA-N 1 1 167.252 1.426 10 30 ADEEMO C=C(C)CC[N@@H+]1CC[C@@H](O)C[C@H]1C 306529237 371760745 /nfs/dbraw/zinc/76/07/45/371760745.db2.gz FJIUFHFGIYZSEQ-GHMZBOCLSA-N 1 1 183.295 1.798 10 30 ADEEMO C[C@@H](CC#N)[N@H+]1CCC[C@@H](CO)CC1 306787741 371765471 /nfs/dbraw/zinc/76/54/71/371765471.db2.gz QUTSUDWSQUBIQP-WDEREUQCSA-N 1 1 196.294 1.383 10 30 ADEEMO C[C@H](CC#N)[N@H+]1CCC[C@H](CO)CC1 306787739 371765506 /nfs/dbraw/zinc/76/55/06/371765506.db2.gz QUTSUDWSQUBIQP-MNOVXSKESA-N 1 1 196.294 1.383 10 30 ADEEMO C[C@H](CC#N)[N@H+]1CCC[C@@H](CO)CC1 306787738 371765572 /nfs/dbraw/zinc/76/55/72/371765572.db2.gz QUTSUDWSQUBIQP-GHMZBOCLSA-N 1 1 196.294 1.383 10 30 ADEEMO C=C(C)CCNc1cc(N)[nH+]c(N)n1 306787905 371765604 /nfs/dbraw/zinc/76/56/04/371765604.db2.gz RDZQJIQXNNAAKJ-UHFFFAOYSA-N 1 1 193.254 1.019 10 30 ADEEMO C[C@@H](CC#N)[N@H+]1CCC[C@H](CO)CC1 306787740 371765623 /nfs/dbraw/zinc/76/56/23/371765623.db2.gz QUTSUDWSQUBIQP-QWRGUYRKSA-N 1 1 196.294 1.383 10 30 ADEEMO CC1(C)C[C@@H]1[C@@](C)([NH3+])C#N 306787641 371765783 /nfs/dbraw/zinc/76/57/83/371765783.db2.gz WEDXSCLZXAVLIY-XPUUQOCRSA-N 1 1 138.214 1.273 10 30 ADEEMO CC1(C)C[N@H+](CCC#N)[C@@H]2COC[C@@H]21 307142197 371774255 /nfs/dbraw/zinc/77/42/55/371774255.db2.gz DSQOHPHOFUVUFS-VHSXEESVSA-N 1 1 194.278 1.257 10 30 ADEEMO CC1(C)C[N@@H+](CCC#N)[C@@H]2COC[C@@H]21 307142197 371774260 /nfs/dbraw/zinc/77/42/60/371774260.db2.gz DSQOHPHOFUVUFS-VHSXEESVSA-N 1 1 194.278 1.257 10 30 ADEEMO C=CC[N@H+]1CC[C@@H](C2CC2)C1 307206164 371776384 /nfs/dbraw/zinc/77/63/84/371776384.db2.gz HHVCFPLRUTZWAI-SNVBAGLBSA-N 1 1 151.253 1.904 10 30 ADEEMO C=CC[N@H+]1CC[C@H](C2CC2)C1 307206161 371776423 /nfs/dbraw/zinc/77/64/23/371776423.db2.gz HHVCFPLRUTZWAI-JTQLQIEISA-N 1 1 151.253 1.904 10 30 ADEEMO C=CCC[C@@]1(O)C[C@H](C)[N@H+](C)C1 307385214 371780258 /nfs/dbraw/zinc/78/02/58/371780258.db2.gz JTNBOJMIPKVLHV-VHSXEESVSA-N 1 1 169.268 1.408 10 30 ADEEMO C=CCC[C@@]1(O)C[C@@H](C)[N@H+](C)C1 307385212 371780303 /nfs/dbraw/zinc/78/03/03/371780303.db2.gz JTNBOJMIPKVLHV-NXEZZACHSA-N 1 1 169.268 1.408 10 30 ADEEMO C=CCC[C@]1(O)C[C@H](C)[N@H+](C)C1 307385213 371780462 /nfs/dbraw/zinc/78/04/62/371780462.db2.gz JTNBOJMIPKVLHV-UWVGGRQHSA-N 1 1 169.268 1.408 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@H+]1CC[C@H](C)[C@H]1C 380570316 371810336 /nfs/dbraw/zinc/81/03/36/371810336.db2.gz BLVHMERTYAPANT-IVZWLZJFSA-N 1 1 197.278 1.444 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@H+]1CC[C@@H](C)[C@H]1C 380570321 371810476 /nfs/dbraw/zinc/81/04/76/371810476.db2.gz BLVHMERTYAPANT-OPRDCNLKSA-N 1 1 197.278 1.444 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@H+]1CC[C@H](C)[C@@H]1C 380570320 371810569 /nfs/dbraw/zinc/81/05/69/371810569.db2.gz BLVHMERTYAPANT-LPEHRKFASA-N 1 1 197.278 1.444 10 30 ADEEMO C=C[C@H](C(=O)OC)[N@H+]1CC[C@@H](C)[C@@H]1C 380570318 371810615 /nfs/dbraw/zinc/81/06/15/371810615.db2.gz BLVHMERTYAPANT-KXUCPTDWSA-N 1 1 197.278 1.444 10 30 ADEEMO C[C@@H](CCC#N)[N@H+]1C[C@H](C)C[C@@H](O)C1 591040814 371851959 /nfs/dbraw/zinc/85/19/59/371851959.db2.gz DKSCSDFJSIXDMH-OUAUKWLOSA-N 1 1 196.294 1.381 10 30 ADEEMO CCOCC[N@H+]1CCC[C@H](CC#N)C1 397650585 371813331 /nfs/dbraw/zinc/81/33/31/371813331.db2.gz CKVSFTQLAQTGRY-LLVKDONJSA-N 1 1 196.294 1.649 10 30 ADEEMO CCOCC[N@H+]1CCC[C@@H](CC#N)C1 397650592 371813738 /nfs/dbraw/zinc/81/37/38/371813738.db2.gz CKVSFTQLAQTGRY-NSHDSACASA-N 1 1 196.294 1.649 10 30 ADEEMO N#CC[C@@H]1CC[N@H+](C/C=C\Cl)C1 397593163 371813839 /nfs/dbraw/zinc/81/38/39/371813839.db2.gz KUOVAFWSXXJEES-RZXPJHQTSA-N 1 1 184.670 1.974 10 30 ADEEMO C[N@H+]1C[C@H](S)CC1(C)C 575463825 371821441 /nfs/dbraw/zinc/82/14/41/371821441.db2.gz IGUPKYOLFULHPK-ZCFIWIBFSA-N 1 1 145.271 1.399 10 30 ADEEMO C[N@H+]1C[C@@H](S)CC1(C)C 575463821 371821657 /nfs/dbraw/zinc/82/16/57/371821657.db2.gz IGUPKYOLFULHPK-LURJTMIESA-N 1 1 145.271 1.399 10 30 ADEEMO C[C@@H]1C[C@@H](O)C[N@@H+]([C@H](C)CCC#N)C1 591040812 371851884 /nfs/dbraw/zinc/85/18/84/371851884.db2.gz DKSCSDFJSIXDMH-GMTAPVOTSA-N 1 1 196.294 1.381 10 30 ADEEMO C[C@@H](CCC#N)[N@@H+]1C[C@@H](O)C[C@@H](C)C1 591040815 371851922 /nfs/dbraw/zinc/85/19/22/371851922.db2.gz DKSCSDFJSIXDMH-VWYCJHECSA-N 1 1 196.294 1.381 10 30 ADEEMO C[C@@H]1C[C@H](O)C[N@@H+]([C@H](C)CCC#N)C1 591040813 371851969 /nfs/dbraw/zinc/85/19/69/371851969.db2.gz DKSCSDFJSIXDMH-MXWKQRLJSA-N 1 1 196.294 1.381 10 30 ADEEMO CO[C@@H]1CC[N@@H+](CCCC#N)C[C@H]1C 595519731 371856122 /nfs/dbraw/zinc/85/61/22/371856122.db2.gz BYKGCAGMAVPQSM-GHMZBOCLSA-N 1 1 196.294 1.647 10 30 ADEEMO CO[C@H]1CC[N@@H+](CCCC#N)C[C@@H]1C 595519733 371856143 /nfs/dbraw/zinc/85/61/43/371856143.db2.gz BYKGCAGMAVPQSM-QWRGUYRKSA-N 1 1 196.294 1.647 10 30 ADEEMO CO[C@H]1CC[N@@H+](CCCC#N)C[C@H]1C 595519732 371856204 /nfs/dbraw/zinc/85/62/04/371856204.db2.gz BYKGCAGMAVPQSM-MNOVXSKESA-N 1 1 196.294 1.647 10 30 ADEEMO C[C@H]1C[N@@H+](CCCC#N)C[C@@H](C)[C@@H]1O 595734386 371857281 /nfs/dbraw/zinc/85/72/81/371857281.db2.gz YVRZJFFDHPZWQZ-URLYPYJESA-N 1 1 196.294 1.239 10 30 ADEEMO CC1(C[N@H+]2CC[C@@](C)(C#N)C2)COC1 595838076 371858468 /nfs/dbraw/zinc/85/84/68/371858468.db2.gz QFMDJRQAPJFKHE-JTQLQIEISA-N 1 1 194.278 1.258 10 30 ADEEMO CO[C@H](C)C[N@H+]1CC[C@](C)(C#N)C1 595843560 371859148 /nfs/dbraw/zinc/85/91/48/371859148.db2.gz LGBSWZDKOFOSRP-NXEZZACHSA-N 1 1 182.267 1.257 10 30 ADEEMO CC1(C[N@H+]2CC[C@](C)(C#N)C2)COC1 595838077 371859162 /nfs/dbraw/zinc/85/91/62/371859162.db2.gz QFMDJRQAPJFKHE-SNVBAGLBSA-N 1 1 194.278 1.258 10 30 ADEEMO C=CC[N@@H+]1C[C@H](C)N(CC#N)[C@H](C)C1 602857086 371860493 /nfs/dbraw/zinc/86/04/93/371860493.db2.gz OVTRHKBVRQAVGD-PHIMTYICSA-N 1 1 193.294 1.091 10 30 ADEEMO C=CC[N@H+]1C2CCC1(C(=O)OC)CC2 602984339 371861596 /nfs/dbraw/zinc/86/15/96/371861596.db2.gz IUHMWRYCDDMTSZ-UHFFFAOYSA-N 1 1 195.262 1.342 10 30 ADEEMO C=CC[N@@H+]1C2CCC1(C(=O)OC)CC2 602984339 371861600 /nfs/dbraw/zinc/86/16/00/371861600.db2.gz IUHMWRYCDDMTSZ-UHFFFAOYSA-N 1 1 195.262 1.342 10 30 ADEEMO CC[C@@H](O)C[N@H+](C[C@H](C)C#N)C1CC1 611091158 371863978 /nfs/dbraw/zinc/86/39/78/371863978.db2.gz RBDIEFKDYASUJE-MWLCHTKSSA-N 1 1 196.294 1.381 10 30 ADEEMO CC[C@@H](O)C[N@@H+](C[C@H](C)C#N)C1CC1 611091158 371863993 /nfs/dbraw/zinc/86/39/93/371863993.db2.gz RBDIEFKDYASUJE-MWLCHTKSSA-N 1 1 196.294 1.381 10 30 ADEEMO COCCC[N@@H+](C[C@@H](C)C#N)C1CC1 611091334 371864074 /nfs/dbraw/zinc/86/40/74/371864074.db2.gz WTLHGNAOQATUIH-JTQLQIEISA-N 1 1 196.294 1.647 10 30 ADEEMO COCCC[N@@H+](C[C@H](C)C#N)C1CC1 611091335 371864099 /nfs/dbraw/zinc/86/40/99/371864099.db2.gz WTLHGNAOQATUIH-SNVBAGLBSA-N 1 1 196.294 1.647 10 30 ADEEMO CCOCC[N@H+](C[C@@H](C)C#N)C1CC1 611091498 371864121 /nfs/dbraw/zinc/86/41/21/371864121.db2.gz NMHODBXNGXGPPH-JTQLQIEISA-N 1 1 196.294 1.647 10 30 ADEEMO CCOCC[N@@H+](C[C@@H](C)C#N)C1CC1 611091498 371864129 /nfs/dbraw/zinc/86/41/29/371864129.db2.gz NMHODBXNGXGPPH-JTQLQIEISA-N 1 1 196.294 1.647 10 30 ADEEMO CCOCC[N@H+](C[C@H](C)C#N)C1CC1 611091499 371864152 /nfs/dbraw/zinc/86/41/52/371864152.db2.gz NMHODBXNGXGPPH-SNVBAGLBSA-N 1 1 196.294 1.647 10 30 ADEEMO CCOCC[N@@H+](C[C@H](C)C#N)C1CC1 611091499 371864156 /nfs/dbraw/zinc/86/41/56/371864156.db2.gz NMHODBXNGXGPPH-SNVBAGLBSA-N 1 1 196.294 1.647 10 30 ADEEMO CC[C@H](O)C[N@H+](C[C@H](C)C#N)C1CC1 611091157 371864197 /nfs/dbraw/zinc/86/41/97/371864197.db2.gz RBDIEFKDYASUJE-KOLCDFICSA-N 1 1 196.294 1.381 10 30 ADEEMO CC[C@H](O)C[N@@H+](C[C@H](C)C#N)C1CC1 611091157 371864200 /nfs/dbraw/zinc/86/42/00/371864200.db2.gz RBDIEFKDYASUJE-KOLCDFICSA-N 1 1 196.294 1.381 10 30 ADEEMO CC[C@H](O)C[N@H+](C[C@@H](C)C#N)C1CC1 611091159 371864357 /nfs/dbraw/zinc/86/43/57/371864357.db2.gz RBDIEFKDYASUJE-ONGXEEELSA-N 1 1 196.294 1.381 10 30 ADEEMO CC[C@H](O)C[N@@H+](C[C@@H](C)C#N)C1CC1 611091159 371864359 /nfs/dbraw/zinc/86/43/59/371864359.db2.gz RBDIEFKDYASUJE-ONGXEEELSA-N 1 1 196.294 1.381 10 30 ADEEMO CC[C@@H](O)C[N@H+](C[C@@H](C)C#N)C1CC1 611091156 371864367 /nfs/dbraw/zinc/86/43/67/371864367.db2.gz RBDIEFKDYASUJE-GXSJLCMTSA-N 1 1 196.294 1.381 10 30 ADEEMO CC[C@@H](O)C[N@@H+](C[C@@H](C)C#N)C1CC1 611091156 371864371 /nfs/dbraw/zinc/86/43/71/371864371.db2.gz RBDIEFKDYASUJE-GXSJLCMTSA-N 1 1 196.294 1.381 10 30 ADEEMO C=CC[N@@H+](C)[C@H](C)c1cnc(C)cn1 644687475 371898767 /nfs/dbraw/zinc/89/87/67/371898767.db2.gz ZGUIEVIUBZIAQV-SNVBAGLBSA-N 1 1 191.278 1.964 10 30 ADEEMO C=CC[N@H+](C)[C@H](C)c1cnc(C)cn1 644687475 371898775 /nfs/dbraw/zinc/89/87/75/371898775.db2.gz ZGUIEVIUBZIAQV-SNVBAGLBSA-N 1 1 191.278 1.964 10 30 ADEEMO C=CC[N@@H+](C)[C@@H](C)c1cnc(C)cn1 644687474 371898932 /nfs/dbraw/zinc/89/89/32/371898932.db2.gz ZGUIEVIUBZIAQV-JTQLQIEISA-N 1 1 191.278 1.964 10 30 ADEEMO C=CC[N@H+](C)[C@@H](C)c1cnc(C)cn1 644687474 371898939 /nfs/dbraw/zinc/89/89/39/371898939.db2.gz ZGUIEVIUBZIAQV-JTQLQIEISA-N 1 1 191.278 1.964 10 30 ADEEMO C=CCC[N@H+](C)Cc1cc(C)ncn1 644688080 371899343 /nfs/dbraw/zinc/89/93/43/371899343.db2.gz NSGYSEPAIFVETO-UHFFFAOYSA-N 1 1 191.278 1.793 10 30 ADEEMO C=C(C)C[N@H+](C)Cc1cc(C)ncn1 644682194 371899667 /nfs/dbraw/zinc/89/96/67/371899667.db2.gz NQYDOQLHRVPMQG-UHFFFAOYSA-N 1 1 191.278 1.793 10 30 ADEEMO C=C(C)CC[N@@H+]1CC[C@H]2CN(C)C[C@H]21 644729387 371903774 /nfs/dbraw/zinc/90/37/74/371903774.db2.gz OMGJYJOBDQZJJT-NWDGAFQWSA-N 1 1 194.322 1.589 10 30 ADEEMO C=C(CC)C[N@H+]1CC[C@H]2CN(C)C[C@@H]21 644733689 371903980 /nfs/dbraw/zinc/90/39/80/371903980.db2.gz NQLHWIQOGYZSHB-RYUDHWBXSA-N 1 1 194.322 1.589 10 30 ADEEMO C=C(CC)CN1CC[C@H]2C[N@H+](C)C[C@@H]21 644733689 371903986 /nfs/dbraw/zinc/90/39/86/371903986.db2.gz NQLHWIQOGYZSHB-RYUDHWBXSA-N 1 1 194.322 1.589 10 30 ADEEMO C=C(CC)CN1CC[C@H]2C[N@@H+](C)C[C@@H]21 644733689 371903991 /nfs/dbraw/zinc/90/39/91/371903991.db2.gz NQLHWIQOGYZSHB-RYUDHWBXSA-N 1 1 194.322 1.589 10 30 ADEEMO C=C(CC)CN1CC[C@H]2C[N@@H+](C)C[C@H]21 644733686 371904195 /nfs/dbraw/zinc/90/41/95/371904195.db2.gz NQLHWIQOGYZSHB-NWDGAFQWSA-N 1 1 194.322 1.589 10 30 ADEEMO C=C(CC)C[N@H+]1CC[C@H]2CN(C)C[C@H]21 644733686 371904183 /nfs/dbraw/zinc/90/41/83/371904183.db2.gz NQLHWIQOGYZSHB-NWDGAFQWSA-N 1 1 194.322 1.589 10 30 ADEEMO C=C(CC)CN1CC[C@H]2C[N@H+](C)C[C@H]21 644733686 371904190 /nfs/dbraw/zinc/90/41/90/371904190.db2.gz NQLHWIQOGYZSHB-NWDGAFQWSA-N 1 1 194.322 1.589 10 30 ADEEMO CC#CCC[N@H+]1CC[C@H]2CN(C)C[C@@H]21 644729745 371904272 /nfs/dbraw/zinc/90/42/72/371904272.db2.gz QWABHYHMSGLGBS-RYUDHWBXSA-N 1 1 192.306 1.036 10 30 ADEEMO CC#CCCN1CC[C@H]2C[N@H+](C)C[C@@H]21 644729745 371904277 /nfs/dbraw/zinc/90/42/77/371904277.db2.gz QWABHYHMSGLGBS-RYUDHWBXSA-N 1 1 192.306 1.036 10 30 ADEEMO CC#CCCN1CC[C@H]2C[N@@H+](C)C[C@@H]21 644729745 371904281 /nfs/dbraw/zinc/90/42/81/371904281.db2.gz QWABHYHMSGLGBS-RYUDHWBXSA-N 1 1 192.306 1.036 10 30 ADEEMO CC#CCC[N@H+]1CC[C@@H]2CN(C)C[C@H]21 644729746 371904411 /nfs/dbraw/zinc/90/44/11/371904411.db2.gz QWABHYHMSGLGBS-VXGBXAGGSA-N 1 1 192.306 1.036 10 30 ADEEMO CC#CCCN1CC[C@@H]2C[N@H+](C)C[C@H]21 644729746 371904414 /nfs/dbraw/zinc/90/44/14/371904414.db2.gz QWABHYHMSGLGBS-VXGBXAGGSA-N 1 1 192.306 1.036 10 30 ADEEMO CC#CCCN1CC[C@@H]2C[N@@H+](C)C[C@H]21 644729746 371904419 /nfs/dbraw/zinc/90/44/19/371904419.db2.gz QWABHYHMSGLGBS-VXGBXAGGSA-N 1 1 192.306 1.036 10 30 ADEEMO CC#CCC[N@H+]1CC[C@H]2CN(C)C[C@H]21 644729744 371904477 /nfs/dbraw/zinc/90/44/77/371904477.db2.gz QWABHYHMSGLGBS-NWDGAFQWSA-N 1 1 192.306 1.036 10 30 ADEEMO CC#CCCN1CC[C@H]2C[N@H+](C)C[C@H]21 644729744 371904482 /nfs/dbraw/zinc/90/44/82/371904482.db2.gz QWABHYHMSGLGBS-NWDGAFQWSA-N 1 1 192.306 1.036 10 30 ADEEMO CC#CCCN1CC[C@H]2C[N@@H+](C)C[C@H]21 644729744 371904489 /nfs/dbraw/zinc/90/44/89/371904489.db2.gz QWABHYHMSGLGBS-NWDGAFQWSA-N 1 1 192.306 1.036 10 30 ADEEMO C=C(CC)C[N@H+]1CC[C@@H]2CN(C)C[C@@H]21 644733675 371904498 /nfs/dbraw/zinc/90/44/98/371904498.db2.gz NQLHWIQOGYZSHB-NEPJUHHUSA-N 1 1 194.322 1.589 10 30 ADEEMO C=C(CC)CN1CC[C@@H]2C[N@H+](C)C[C@@H]21 644733675 371904501 /nfs/dbraw/zinc/90/45/01/371904501.db2.gz NQLHWIQOGYZSHB-NEPJUHHUSA-N 1 1 194.322 1.589 10 30 ADEEMO C=C(CC)CN1CC[C@@H]2C[N@@H+](C)C[C@@H]21 644733675 371904506 /nfs/dbraw/zinc/90/45/06/371904506.db2.gz NQLHWIQOGYZSHB-NEPJUHHUSA-N 1 1 194.322 1.589 10 30 ADEEMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C)C[C@H]21 644729393 371904575 /nfs/dbraw/zinc/90/45/75/371904575.db2.gz OMGJYJOBDQZJJT-VXGBXAGGSA-N 1 1 194.322 1.589 10 30 ADEEMO C=C(CC)C[N@H+]1CC[C@@H]2CN(C)C[C@H]21 644733705 371904592 /nfs/dbraw/zinc/90/45/92/371904592.db2.gz NQLHWIQOGYZSHB-VXGBXAGGSA-N 1 1 194.322 1.589 10 30 ADEEMO C=C(CC)CN1CC[C@@H]2C[N@H+](C)C[C@H]21 644733705 371904595 /nfs/dbraw/zinc/90/45/95/371904595.db2.gz NQLHWIQOGYZSHB-VXGBXAGGSA-N 1 1 194.322 1.589 10 30 ADEEMO C=C(CC)CN1CC[C@@H]2C[N@@H+](C)C[C@H]21 644733705 371904598 /nfs/dbraw/zinc/90/45/98/371904598.db2.gz NQLHWIQOGYZSHB-VXGBXAGGSA-N 1 1 194.322 1.589 10 30 ADEEMO CC#CCCN1CC[C@@H]2C[N@@H+](C)C[C@@H]21 644729729 371904676 /nfs/dbraw/zinc/90/46/76/371904676.db2.gz QWABHYHMSGLGBS-NEPJUHHUSA-N 1 1 192.306 1.036 10 30 ADEEMO CC#CCC[N@H+]1CC[C@@H]2CN(C)C[C@@H]21 644729729 371904670 /nfs/dbraw/zinc/90/46/70/371904670.db2.gz QWABHYHMSGLGBS-NEPJUHHUSA-N 1 1 192.306 1.036 10 30 ADEEMO CC#CCCN1CC[C@@H]2C[N@H+](C)C[C@@H]21 644729729 371904672 /nfs/dbraw/zinc/90/46/72/371904672.db2.gz QWABHYHMSGLGBS-NEPJUHHUSA-N 1 1 192.306 1.036 10 30 ADEEMO C=C(C)CC[N@@H+]1CC[C@H]2CN(C)C[C@@H]21 644729391 371904739 /nfs/dbraw/zinc/90/47/39/371904739.db2.gz OMGJYJOBDQZJJT-RYUDHWBXSA-N 1 1 194.322 1.589 10 30 ADEEMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C)C[C@@H]21 644729380 371904903 /nfs/dbraw/zinc/90/49/03/371904903.db2.gz OMGJYJOBDQZJJT-NEPJUHHUSA-N 1 1 194.322 1.589 10 30 ADEEMO C=CCCC[N@@H+]1CC[C@H]2CN(C)C[C@@H]21 644735994 371905473 /nfs/dbraw/zinc/90/54/73/371905473.db2.gz VUWWFMXMNCWOJZ-RYUDHWBXSA-N 1 1 194.322 1.589 10 30 ADEEMO C=CCCC[N@@H+]1CC[C@@H]2CN(C)C[C@@H]21 644735985 371906209 /nfs/dbraw/zinc/90/62/09/371906209.db2.gz VUWWFMXMNCWOJZ-NEPJUHHUSA-N 1 1 194.322 1.589 10 30 ADEEMO C=CCCC[N@@H+]1CC[C@H]2CN(C)C[C@H]21 644735990 371906713 /nfs/dbraw/zinc/90/67/13/371906713.db2.gz VUWWFMXMNCWOJZ-NWDGAFQWSA-N 1 1 194.322 1.589 10 30 ADEEMO C=CCCC[N@@H+]1CC[C@@H]2CN(C)C[C@H]21 644736004 371906766 /nfs/dbraw/zinc/90/67/66/371906766.db2.gz VUWWFMXMNCWOJZ-VXGBXAGGSA-N 1 1 194.322 1.589 10 30 ADEEMO C=CCC[N@H+](C)C[C@H](OC)C1CC1 644931215 371932298 /nfs/dbraw/zinc/93/22/98/371932298.db2.gz BDQAMDVMCDZOSW-NSHDSACASA-N 1 1 183.295 1.919 10 30 ADEEMO C=CCC[N@H+](C)C[C@@H](OC)C1CC1 644931214 371932422 /nfs/dbraw/zinc/93/24/22/371932422.db2.gz BDQAMDVMCDZOSW-LLVKDONJSA-N 1 1 183.295 1.919 10 30 ADEEMO C=CCC[N@@H+]1Cc2cccnc2C1 644933228 371932789 /nfs/dbraw/zinc/93/27/89/371932789.db2.gz CCPHSHZGZJFAHJ-UHFFFAOYSA-N 1 1 174.247 1.973 10 30 ADEEMO C=CCC[N@H+]1Cc2cccnc2C1 644933228 371932792 /nfs/dbraw/zinc/93/27/92/371932792.db2.gz CCPHSHZGZJFAHJ-UHFFFAOYSA-N 1 1 174.247 1.973 10 30 ADEEMO C=CCC[N@@H+]1CCN(C)C[C@@H]1C(C)C 644937576 371933529 /nfs/dbraw/zinc/93/35/29/371933529.db2.gz CPXPGRICSCBCGZ-GFCCVEGCSA-N 1 1 196.338 1.835 10 30 ADEEMO C=CCC[N@@H+]1CCN(C)C[C@H]1CC 644938522 371934449 /nfs/dbraw/zinc/93/44/49/371934449.db2.gz HZPJYGKVLLFOBY-LLVKDONJSA-N 1 1 182.311 1.589 10 30 ADEEMO C=CCC[N@@H+]1CCN(C)C[C@@H]1CC 644938523 371934893 /nfs/dbraw/zinc/93/48/93/371934893.db2.gz HZPJYGKVLLFOBY-NSHDSACASA-N 1 1 182.311 1.589 10 30 ADEEMO C=CCC[N@@H+]1CCN(C)C[C@H]1C(C)C 644937579 371934992 /nfs/dbraw/zinc/93/49/92/371934992.db2.gz CPXPGRICSCBCGZ-LBPRGKRZSA-N 1 1 196.338 1.835 10 30 ADEEMO C=CCC[N@H+]1CCN(C(=O)CC)C1 644950176 371935791 /nfs/dbraw/zinc/93/57/91/371935791.db2.gz NYIFSBADFYLEKB-UHFFFAOYSA-N 1 1 182.267 1.074 10 30 ADEEMO C=CCC[N@@H+]1CCN(C(=O)CC)C1 644950176 371935797 /nfs/dbraw/zinc/93/57/97/371935797.db2.gz NYIFSBADFYLEKB-UHFFFAOYSA-N 1 1 182.267 1.074 10 30 ADEEMO C=C(C)CC[N@H+]1CCN(C(=O)CC)C1 644950793 371936074 /nfs/dbraw/zinc/93/60/74/371936074.db2.gz AUMMYQOJDQDKFP-UHFFFAOYSA-N 1 1 196.294 1.464 10 30 ADEEMO C=C(C)CC[N@@H+]1CCN(C(=O)CC)C1 644950793 371936080 /nfs/dbraw/zinc/93/60/80/371936080.db2.gz AUMMYQOJDQDKFP-UHFFFAOYSA-N 1 1 196.294 1.464 10 30 ADEEMO COCC#CC[N@H+]1CC[C@@H](C)C[C@H]1C 644951170 371936475 /nfs/dbraw/zinc/93/64/75/371936475.db2.gz FZGUTKFZXVUYHS-VXGBXAGGSA-N 1 1 195.306 1.757 10 30 ADEEMO C=CCCC[N@H+]1CCN(C(=O)CC)C1 644950184 371936778 /nfs/dbraw/zinc/93/67/78/371936778.db2.gz SDZBRBFPPAINSF-UHFFFAOYSA-N 1 1 196.294 1.464 10 30 ADEEMO C=CCCC[N@@H+]1CCN(C(=O)CC)C1 644950184 371936784 /nfs/dbraw/zinc/93/67/84/371936784.db2.gz SDZBRBFPPAINSF-UHFFFAOYSA-N 1 1 196.294 1.464 10 30 ADEEMO C=CCCC[N@H+](C)C[C@H](O)C(C)C 644994379 371938211 /nfs/dbraw/zinc/93/82/11/371938211.db2.gz LANJAUPZRYMXNW-NSHDSACASA-N 1 1 185.311 1.901 10 30 ADEEMO C=CCCC[N@H+](C)C[C@@H](O)C(C)C 644994378 371938425 /nfs/dbraw/zinc/93/84/25/371938425.db2.gz LANJAUPZRYMXNW-LLVKDONJSA-N 1 1 185.311 1.901 10 30 ADEEMO C=CCOCC[N@H+](C)Cc1ccoc1 645078399 371940871 /nfs/dbraw/zinc/94/08/71/371940871.db2.gz CHMJNVBVZPXNHF-UHFFFAOYSA-N 1 1 195.262 1.914 10 30 ADEEMO C=CCOCC[N@H+]1CCOC(C)(C)C1 645074768 371940935 /nfs/dbraw/zinc/94/09/35/371940935.db2.gz HRBBRYRYYBTPKI-UHFFFAOYSA-N 1 1 199.294 1.300 10 30 ADEEMO C=CCOCC[N@H+](C)C[C@@H]1CCCO1 645078345 371941466 /nfs/dbraw/zinc/94/14/66/371941466.db2.gz SHBYACVRRAXCAW-NSHDSACASA-N 1 1 199.294 1.300 10 30 ADEEMO C=CCOCC[N@H+]1CCO[C@@H](CC)C1 645076368 371941700 /nfs/dbraw/zinc/94/17/00/371941700.db2.gz HLEUYHVJXSURHH-NSHDSACASA-N 1 1 199.294 1.300 10 30 ADEEMO C=CCOCC[N@H+](C)C[C@H]1CCCO1 645078344 371941974 /nfs/dbraw/zinc/94/19/74/371941974.db2.gz SHBYACVRRAXCAW-LLVKDONJSA-N 1 1 199.294 1.300 10 30 ADEEMO C=CCOCC[N@H+]1CCO[C@H](CC)C1 645076367 371942088 /nfs/dbraw/zinc/94/20/88/371942088.db2.gz HLEUYHVJXSURHH-LLVKDONJSA-N 1 1 199.294 1.300 10 30 ADEEMO C=CCOCC[N@@H+]1CC[C@H](COC)C1 645088749 371942715 /nfs/dbraw/zinc/94/27/15/371942715.db2.gz DKSCFDWKGOACCL-NSHDSACASA-N 1 1 199.294 1.157 10 30 ADEEMO C=CCOCC[N@@H+]1CCO[C@H](C)[C@H]1C 645091399 371942593 /nfs/dbraw/zinc/94/25/93/371942593.db2.gz HUVVYABTXPJUKD-GHMZBOCLSA-N 1 1 199.294 1.298 10 30 ADEEMO C=CCOCC[N@H+]1C[C@@H]2CC[C@H](C1)O2 645089887 371943175 /nfs/dbraw/zinc/94/31/75/371943175.db2.gz VQCUYZSLMPDBSF-PHIMTYICSA-N 1 1 197.278 1.052 10 30 ADEEMO C=CCOCC[N@@H+]1CCOC[C@@H]1CC 645088072 371943384 /nfs/dbraw/zinc/94/33/84/371943384.db2.gz CGNWPABTWRPJPK-NSHDSACASA-N 1 1 199.294 1.300 10 30 ADEEMO C=CCOCC[N@@H+]1CCO[C@@H](C)[C@@H]1C 645091401 371943671 /nfs/dbraw/zinc/94/36/71/371943671.db2.gz HUVVYABTXPJUKD-QWRGUYRKSA-N 1 1 199.294 1.298 10 30 ADEEMO C=CCOCC[N@@H+]1CC[C@@H](COC)C1 645088748 371943769 /nfs/dbraw/zinc/94/37/69/371943769.db2.gz DKSCFDWKGOACCL-LLVKDONJSA-N 1 1 199.294 1.157 10 30 ADEEMO C=CCOCC[N@@H+]1CCO[C@H](C)[C@@H]1C 645091402 371943932 /nfs/dbraw/zinc/94/39/32/371943932.db2.gz HUVVYABTXPJUKD-WDEREUQCSA-N 1 1 199.294 1.298 10 30 ADEEMO C=CCOCC[N@@H+]1CCC[C@H](OC)C1 645083063 371944036 /nfs/dbraw/zinc/94/40/36/371944036.db2.gz DKWLHUPWDQXFLI-NSHDSACASA-N 1 1 199.294 1.300 10 30 ADEEMO C=CCOCC[N@@H+]1CCC[C@@H](OC)C1 645083062 371944061 /nfs/dbraw/zinc/94/40/61/371944061.db2.gz DKWLHUPWDQXFLI-LLVKDONJSA-N 1 1 199.294 1.300 10 30 ADEEMO C=CCOCC[N@@H+]1CCO[C@@H](C)[C@H]1C 645091400 371944087 /nfs/dbraw/zinc/94/40/87/371944087.db2.gz HUVVYABTXPJUKD-MNOVXSKESA-N 1 1 199.294 1.298 10 30 ADEEMO C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)C2(C)C 645089047 371944171 /nfs/dbraw/zinc/94/41/71/371944171.db2.gz GZBHIEIZUCJIBR-PHIMTYICSA-N 1 1 195.306 1.777 10 30 ADEEMO C=CCOCC[N@@H+]1CCOC[C@H]1CC 645088071 371944338 /nfs/dbraw/zinc/94/43/38/371944338.db2.gz CGNWPABTWRPJPK-LLVKDONJSA-N 1 1 199.294 1.300 10 30 ADEEMO C=CCOCC[N@H+]1CC[C@H](C2CC2)C1 645103225 371945268 /nfs/dbraw/zinc/94/52/68/371945268.db2.gz CQOCJZWTACWMFN-LBPRGKRZSA-N 1 1 195.306 1.921 10 30 ADEEMO C=CCOCC[N@@H+]1CCOCC12CC2 645141629 371946063 /nfs/dbraw/zinc/94/60/63/371946063.db2.gz IFYUOUDSSPUKFM-UHFFFAOYSA-N 1 1 197.278 1.054 10 30 ADEEMO C=CCOCC[N@H+]1CCOCC12CC2 645141629 371946068 /nfs/dbraw/zinc/94/60/68/371946068.db2.gz IFYUOUDSSPUKFM-UHFFFAOYSA-N 1 1 197.278 1.054 10 30 ADEEMO C=CCOCC[N@H+]1CC[C@@H](C2CC2)C1 645103224 371946103 /nfs/dbraw/zinc/94/61/03/371946103.db2.gz CQOCJZWTACWMFN-GFCCVEGCSA-N 1 1 195.306 1.921 10 30 ADEEMO C=CCOCC[N@H+](C)[C@H]1C[C@@H](OC)C1 645146905 371947194 /nfs/dbraw/zinc/94/71/94/371947194.db2.gz ZHZHQFRBEHLMGW-PHIMTYICSA-N 1 1 199.294 1.298 10 30 ADEEMO C=CCOCC[N@H+](CC)[C@@H]1CCOC1 645150567 371948010 /nfs/dbraw/zinc/94/80/10/371948010.db2.gz CHPOCMVLRVWUPA-LLVKDONJSA-N 1 1 199.294 1.300 10 30 ADEEMO C=CCOCC[N@H+](CC)[C@H]1CCOC1 645150568 371948122 /nfs/dbraw/zinc/94/81/22/371948122.db2.gz CHPOCMVLRVWUPA-NSHDSACASA-N 1 1 199.294 1.300 10 30 ADEEMO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H]1C 645215838 371951888 /nfs/dbraw/zinc/95/18/88/371951888.db2.gz WHHQEPKAFZZVEC-BBBLOLIVSA-N 1 1 196.294 1.017 10 30 ADEEMO C=CCNC(=O)[C@H](C)[N@H+]1C[C@H](C)[C@@H]1C 645215839 371952053 /nfs/dbraw/zinc/95/20/53/371952053.db2.gz WHHQEPKAFZZVEC-GUBZILKMSA-N 1 1 196.294 1.017 10 30 ADEEMO C=CCNC(=O)[C@H](C)[N@H+]1C[C@H](C)[C@H]1C 645215837 371952076 /nfs/dbraw/zinc/95/20/76/371952076.db2.gz WHHQEPKAFZZVEC-AEJSXWLSSA-N 1 1 196.294 1.017 10 30 ADEEMO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@@H]1C 645215840 371952188 /nfs/dbraw/zinc/95/21/88/371952188.db2.gz WHHQEPKAFZZVEC-UTLUCORTSA-N 1 1 196.294 1.017 10 30 ADEEMO C=CCCC[N@@H+]1C[C@H](C)N(C)[C@H](C)C1 645231246 371956342 /nfs/dbraw/zinc/95/63/42/371956342.db2.gz GPDIMOIQTXNGKV-TXEJJXNPSA-N 1 1 196.338 1.977 10 30 ADEEMO CC#CC[N@@H+](C)C[C@H]1CCO[C@H](C)C1 645262093 371957388 /nfs/dbraw/zinc/95/73/88/371957388.db2.gz AQZRJCGZALHJSE-NEPJUHHUSA-N 1 1 195.306 1.757 10 30 ADEEMO CC#CC[N@@H+](C)CC[C@@H]1CCCCO1 645262323 371957351 /nfs/dbraw/zinc/95/73/51/371957351.db2.gz SPIZRUJJTCWXFW-LBPRGKRZSA-N 1 1 195.306 1.901 10 30 ADEEMO CC#CC[N@@H+](C)CCn1cc(C)cn1 645262043 371957431 /nfs/dbraw/zinc/95/74/31/371957431.db2.gz VEHVAZWBHOICIS-UHFFFAOYSA-N 1 1 191.278 1.147 10 30 ADEEMO CC#CC[N@@H+](C)CC[C@H]1CCCCO1 645262318 371957611 /nfs/dbraw/zinc/95/76/11/371957611.db2.gz SPIZRUJJTCWXFW-GFCCVEGCSA-N 1 1 195.306 1.901 10 30 ADEEMO CC#CC[N@@H+](C)C[C@@H]1CCO[C@H](C)C1 645262096 371957846 /nfs/dbraw/zinc/95/78/46/371957846.db2.gz AQZRJCGZALHJSE-VXGBXAGGSA-N 1 1 195.306 1.757 10 30 ADEEMO CC#CC[N@@H+](C)C[C@H]1CCO[C@@H](C)C1 645262095 371958294 /nfs/dbraw/zinc/95/82/94/371958294.db2.gz AQZRJCGZALHJSE-RYUDHWBXSA-N 1 1 195.306 1.757 10 30 ADEEMO CC#CC[N@H+](C)CC1(COC)CCC1 645262121 371958328 /nfs/dbraw/zinc/95/83/28/371958328.db2.gz FYGMSRLBFILQSS-UHFFFAOYSA-N 1 1 195.306 1.758 10 30 ADEEMO CC#CC[N@H+](C)CCCOCC 645262238 371958396 /nfs/dbraw/zinc/95/83/96/371958396.db2.gz GUIYCLSTNUSYEK-UHFFFAOYSA-N 1 1 169.268 1.368 10 30 ADEEMO CC#CC[N@H+](C)CC1CC(OCC)C1 645262023 371958569 /nfs/dbraw/zinc/95/85/69/371958569.db2.gz FEBQIIWDKPTQMA-UHFFFAOYSA-N 1 1 195.306 1.757 10 30 ADEEMO CC#CC[N@@H+](C)C[C@@H]1CCO[C@@H](C)C1 645262094 371958752 /nfs/dbraw/zinc/95/87/52/371958752.db2.gz AQZRJCGZALHJSE-NWDGAFQWSA-N 1 1 195.306 1.757 10 30 ADEEMO CC#CC[N@@H+](C)CCc1cccnc1 645262123 371958812 /nfs/dbraw/zinc/95/88/12/371958812.db2.gz GBLKXUJBEISSBE-UHFFFAOYSA-N 1 1 188.274 1.579 10 30 ADEEMO CC#CCN(C)CC[C@@H]1CCC[N@H+]1C 645262375 371959993 /nfs/dbraw/zinc/95/99/93/371959993.db2.gz DTRMLRJYGOJEMS-LBPRGKRZSA-N 1 1 194.322 1.426 10 30 ADEEMO CC#CCN(C)CC[C@H]1CCC[N@H+]1C 645262373 371960281 /nfs/dbraw/zinc/96/02/81/371960281.db2.gz DTRMLRJYGOJEMS-GFCCVEGCSA-N 1 1 194.322 1.426 10 30 ADEEMO CC#CC[N@H+](C)CCCCOC 645262370 371960475 /nfs/dbraw/zinc/96/04/75/371960475.db2.gz BDCILWMBEOKYSD-UHFFFAOYSA-N 1 1 169.268 1.368 10 30 ADEEMO CC#CC[N@@H+](C)CCn1ccnc1C 645262385 371960938 /nfs/dbraw/zinc/96/09/38/371960938.db2.gz GJWDBMUXZAZMQU-UHFFFAOYSA-N 1 1 191.278 1.147 10 30 ADEEMO C=CC[N@@H+](C)CCC[C@@H]1CCOC1 645861744 371968935 /nfs/dbraw/zinc/96/89/35/371968935.db2.gz JSZSHGCJFCOROY-LLVKDONJSA-N 1 1 183.295 1.921 10 30 ADEEMO C=CC[N@@H+](C)CCC[C@H]1CCOC1 645861745 371968944 /nfs/dbraw/zinc/96/89/44/371968944.db2.gz JSZSHGCJFCOROY-NSHDSACASA-N 1 1 183.295 1.921 10 30 ADEEMO CC#CC[N@@H+](C)CCC[C@H]1CCOC1 645923402 371970850 /nfs/dbraw/zinc/97/08/50/371970850.db2.gz YHFIOJBIAQPWHD-LBPRGKRZSA-N 1 1 195.306 1.758 10 30 ADEEMO CC#CC[N@@H+](C)CCC[C@@H]1CCOC1 645923401 371970876 /nfs/dbraw/zinc/97/08/76/371970876.db2.gz YHFIOJBIAQPWHD-GFCCVEGCSA-N 1 1 195.306 1.758 10 30 ADEEMO CC#CCC[N@H+]1CC[C@@H](OC(C)C)C1 645944828 371971492 /nfs/dbraw/zinc/97/14/92/371971492.db2.gz IEQPXWBZCOJJGM-GFCCVEGCSA-N 1 1 195.306 1.899 10 30 ADEEMO N#CCCC[N@@H+]1C[C@@H]2CC[C@H](C1)O2 85540367 375386465 /nfs/dbraw/zinc/38/64/65/375386465.db2.gz JHDUVFWXNKRVBG-AOOOYVTPSA-N 1 1 180.251 1.153 10 30 ADEEMO N#CCCC[N@H+]1C[C@@H]2CC[C@H](C1)O2 85540367 375386472 /nfs/dbraw/zinc/38/64/72/375386472.db2.gz JHDUVFWXNKRVBG-AOOOYVTPSA-N 1 1 180.251 1.153 10 30 ADEEMO C=C(C)C[N@H+]1CCC[C@@](C)(O)C1 160992054 375397092 /nfs/dbraw/zinc/39/70/92/375397092.db2.gz CXZWDVCUCFVBBE-SNVBAGLBSA-N 1 1 169.268 1.409 10 30 ADEEMO C=C(C)C[N@H+]1CCC[C@](C)(O)C1 160992202 375397148 /nfs/dbraw/zinc/39/71/48/375397148.db2.gz CXZWDVCUCFVBBE-JTQLQIEISA-N 1 1 169.268 1.409 10 30 ADEEMO C=CC[C@H](C)Nc1nc(N)cc[nH+]1 161663166 375397727 /nfs/dbraw/zinc/39/77/27/375397727.db2.gz JSVOPOSTLMQSQF-ZETCQYMHSA-N 1 1 178.239 1.435 10 30 ADEEMO C=C(Cl)CNc1nc(N)cc[nH+]1 161661399 375397739 /nfs/dbraw/zinc/39/77/39/375397739.db2.gz NJSVRPBIVAVPJZ-UHFFFAOYSA-N 1 1 184.630 1.223 10 30 ADEEMO N#C[C@]1(C[C@@H]2CCCO2)CCC[NH2+]1 260586086 375435876 /nfs/dbraw/zinc/43/58/76/375435876.db2.gz IBKWNWBBZCPEIJ-VHSXEESVSA-N 1 1 180.251 1.201 10 30 ADEEMO N#C[C@]1([C@@H]2CCSC2)CCC[NH2+]1 260576885 375435995 /nfs/dbraw/zinc/43/59/95/375435995.db2.gz HLPSVHJLEGBIOP-BDAKNGLRSA-N 1 1 182.292 1.385 10 30 ADEEMO N#C[C@@]1(C[C@@H]2CCCO2)CCC[NH2+]1 260586082 375435889 /nfs/dbraw/zinc/43/58/89/375435889.db2.gz IBKWNWBBZCPEIJ-UWVGGRQHSA-N 1 1 180.251 1.201 10 30 ADEEMO N#C[C@@]1([C@@H]2CCSC2)CCC[NH2+]1 260576892 375435904 /nfs/dbraw/zinc/43/59/04/375435904.db2.gz HLPSVHJLEGBIOP-RKDXNWHRSA-N 1 1 182.292 1.385 10 30 ADEEMO N#C[C@]1(C[C@H]2CCCO2)CCC[NH2+]1 260586078 375435935 /nfs/dbraw/zinc/43/59/35/375435935.db2.gz IBKWNWBBZCPEIJ-NXEZZACHSA-N 1 1 180.251 1.201 10 30 ADEEMO N#C[C@]1(C[C@@H]2CCOC2)CCC[NH2+]1 260513687 375436002 /nfs/dbraw/zinc/43/60/02/375436002.db2.gz CVGWINVMKDABGF-VHSXEESVSA-N 1 1 180.251 1.059 10 30 ADEEMO N#C[C@@]1(C[C@@H]2CCOC2)CCC[NH2+]1 260513684 375436082 /nfs/dbraw/zinc/43/60/82/375436082.db2.gz CVGWINVMKDABGF-UWVGGRQHSA-N 1 1 180.251 1.059 10 30 ADEEMO N#C[C@@]1(C[C@H]2CCOC2)CCC[NH2+]1 260513691 375436098 /nfs/dbraw/zinc/43/60/98/375436098.db2.gz CVGWINVMKDABGF-ZJUUUORDSA-N 1 1 180.251 1.059 10 30 ADEEMO N#C[C@@]1(C[C@H]2CCCO2)CCC[NH2+]1 260586090 375436112 /nfs/dbraw/zinc/43/61/12/375436112.db2.gz IBKWNWBBZCPEIJ-ZJUUUORDSA-N 1 1 180.251 1.201 10 30 ADEEMO CC[C@]([NH3+])(C#N)C1CCCC1 260601602 375436129 /nfs/dbraw/zinc/43/61/29/375436129.db2.gz WKWOLCHEDWCSPJ-VIFPVBQESA-N 1 1 152.241 1.808 10 30 ADEEMO N#C[C@@]1([C@H]2CCSC2)CCC[NH2+]1 260576887 375436224 /nfs/dbraw/zinc/43/62/24/375436224.db2.gz HLPSVHJLEGBIOP-DTWKUNHWSA-N 1 1 182.292 1.385 10 30 ADEEMO N#C[C@]1([C@H]2CCSC2)CCC[NH2+]1 260576889 375436239 /nfs/dbraw/zinc/43/62/39/375436239.db2.gz HLPSVHJLEGBIOP-IUCAKERBSA-N 1 1 182.292 1.385 10 30 ADEEMO CC[C@@]([NH3+])(C#N)C1CCCC1 260601596 375436271 /nfs/dbraw/zinc/43/62/71/375436271.db2.gz WKWOLCHEDWCSPJ-SECBINFHSA-N 1 1 152.241 1.808 10 30 ADEEMO N#C[C@]1(C[C@H]2CCOC2)CCC[NH2+]1 260513681 375436294 /nfs/dbraw/zinc/43/62/94/375436294.db2.gz CVGWINVMKDABGF-NXEZZACHSA-N 1 1 180.251 1.059 10 30 ADEEMO C=C(C)C[N@@H+]1CC[C@@H](O)C[C@H]1C 306455013 375446689 /nfs/dbraw/zinc/44/66/89/375446689.db2.gz ZZCHUAPBTCXDSF-NXEZZACHSA-N 1 1 169.268 1.408 10 30 ADEEMO C[C@H]1CC[N@@H+](C[C@H]2CO2)[C@H]1C 306554731 375453218 /nfs/dbraw/zinc/45/32/18/375453218.db2.gz LLTGXBOHBOGYHL-CIUDSAMLSA-N 1 1 155.241 1.116 10 30 ADEEMO C[C@H]1[C@@H](C)OCC[N@@H+]1CCCC#N 306555681 375453234 /nfs/dbraw/zinc/45/32/34/375453234.db2.gz HWDDURAZYLBGFL-VHSXEESVSA-N 1 1 182.267 1.399 10 30 ADEEMO C[C@H]1[C@@H](C)OCC[N@H+]1CCCC#N 306555681 375453239 /nfs/dbraw/zinc/45/32/39/375453239.db2.gz HWDDURAZYLBGFL-VHSXEESVSA-N 1 1 182.267 1.399 10 30 ADEEMO C[C@H]1OCC[N@H+](CCCC#N)[C@@H]1C 306555679 375453250 /nfs/dbraw/zinc/45/32/50/375453250.db2.gz HWDDURAZYLBGFL-NXEZZACHSA-N 1 1 182.267 1.399 10 30 ADEEMO C[C@H]1OCC[N@@H+](CCCC#N)[C@@H]1C 306555679 375453255 /nfs/dbraw/zinc/45/32/55/375453255.db2.gz HWDDURAZYLBGFL-NXEZZACHSA-N 1 1 182.267 1.399 10 30 ADEEMO C[C@@H]1OCC[N@H+](CCCC#N)[C@H]1C 306555680 375453284 /nfs/dbraw/zinc/45/32/84/375453284.db2.gz HWDDURAZYLBGFL-UWVGGRQHSA-N 1 1 182.267 1.399 10 30 ADEEMO C[C@@H]1OCC[N@@H+](CCCC#N)[C@H]1C 306555680 375453285 /nfs/dbraw/zinc/45/32/85/375453285.db2.gz HWDDURAZYLBGFL-UWVGGRQHSA-N 1 1 182.267 1.399 10 30 ADEEMO C[C@@H]1OCC[N@@H+](CCCC#N)[C@@H]1C 306555682 375453357 /nfs/dbraw/zinc/45/33/57/375453357.db2.gz HWDDURAZYLBGFL-ZJUUUORDSA-N 1 1 182.267 1.399 10 30 ADEEMO C[C@@H]1OCC[N@H+](CCCC#N)[C@@H]1C 306555682 375453353 /nfs/dbraw/zinc/45/33/53/375453353.db2.gz HWDDURAZYLBGFL-ZJUUUORDSA-N 1 1 182.267 1.399 10 30 ADEEMO C[C@H]1CC[N@@H+](C[C@H]2CO2)[C@@H]1C 306554736 375453376 /nfs/dbraw/zinc/45/33/76/375453376.db2.gz LLTGXBOHBOGYHL-YIZRAAEISA-N 1 1 155.241 1.116 10 30 ADEEMO C[C@@H]1CC[N@@H+](C[C@H]2CO2)[C@@H]1C 306554732 375453424 /nfs/dbraw/zinc/45/34/24/375453424.db2.gz LLTGXBOHBOGYHL-HLTSFMKQSA-N 1 1 155.241 1.116 10 30 ADEEMO C[C@H]1[C@H](C)CC[N@H+]1C[C@H]1CO1 306554734 375453454 /nfs/dbraw/zinc/45/34/54/375453454.db2.gz LLTGXBOHBOGYHL-VGMNWLOBSA-N 1 1 155.241 1.116 10 30 ADEEMO C=C(CC)C[N@H+]1CCN(C)C[C@H]1C 306653535 375456140 /nfs/dbraw/zinc/45/61/40/375456140.db2.gz HAZBRRWODLVOHY-LLVKDONJSA-N 1 1 182.311 1.589 10 30 ADEEMO C=C(CC)CN1CC[N@H+](C)C[C@H]1C 306653535 375456145 /nfs/dbraw/zinc/45/61/45/375456145.db2.gz HAZBRRWODLVOHY-LLVKDONJSA-N 1 1 182.311 1.589 10 30 ADEEMO C=C(CC)CN1CC[N@@H+](C)C[C@H]1C 306653535 375456149 /nfs/dbraw/zinc/45/61/49/375456149.db2.gz HAZBRRWODLVOHY-LLVKDONJSA-N 1 1 182.311 1.589 10 30 ADEEMO C=C(CC)C[N@H+]1CCN(C)C[C@@H]1C 306653540 375456178 /nfs/dbraw/zinc/45/61/78/375456178.db2.gz HAZBRRWODLVOHY-NSHDSACASA-N 1 1 182.311 1.589 10 30 ADEEMO C=C(CC)CN1CC[N@H+](C)C[C@@H]1C 306653540 375456180 /nfs/dbraw/zinc/45/61/80/375456180.db2.gz HAZBRRWODLVOHY-NSHDSACASA-N 1 1 182.311 1.589 10 30 ADEEMO C=C(CC)CN1CC[N@@H+](C)C[C@@H]1C 306653540 375456187 /nfs/dbraw/zinc/45/61/87/375456187.db2.gz HAZBRRWODLVOHY-NSHDSACASA-N 1 1 182.311 1.589 10 30 ADEEMO C=CC[N@H+](C)[C@H]1CC[C@@H](C#N)C1 306654227 375456205 /nfs/dbraw/zinc/45/62/05/375456205.db2.gz HJSWKYGRCJEZJK-ZJUUUORDSA-N 1 1 164.252 1.796 10 30 ADEEMO C=CC[N@H+](C)[C@H]1CC[C@H](C#N)C1 306654224 375456229 /nfs/dbraw/zinc/45/62/29/375456229.db2.gz HJSWKYGRCJEZJK-UWVGGRQHSA-N 1 1 164.252 1.796 10 30 ADEEMO C=CC[N@H+](C)[C@@H]1CC[C@H](C#N)C1 306654226 375456252 /nfs/dbraw/zinc/45/62/52/375456252.db2.gz HJSWKYGRCJEZJK-VHSXEESVSA-N 1 1 164.252 1.796 10 30 ADEEMO C=CC[N@H+](C)[C@@H]1CC[C@@H](C#N)C1 306654223 375456317 /nfs/dbraw/zinc/45/63/17/375456317.db2.gz HJSWKYGRCJEZJK-NXEZZACHSA-N 1 1 164.252 1.796 10 30 ADEEMO CC1(C)C[C@@H]1[C@](C)([NH3+])C#N 306787637 375460088 /nfs/dbraw/zinc/46/00/88/375460088.db2.gz WEDXSCLZXAVLIY-POYBYMJQSA-N 1 1 138.214 1.273 10 30 ADEEMO CC1(C)C[C@H]1[C@@](C)([NH3+])C#N 306787639 375460097 /nfs/dbraw/zinc/46/00/97/375460097.db2.gz WEDXSCLZXAVLIY-SVRRBLITSA-N 1 1 138.214 1.273 10 30 ADEEMO CC1(C)C[C@H]1[C@](C)([NH3+])C#N 306787635 375460181 /nfs/dbraw/zinc/46/01/81/375460181.db2.gz WEDXSCLZXAVLIY-HTRCEHHLSA-N 1 1 138.214 1.273 10 30 ADEEMO CC#CC[N@@H+](C)[C@H]1CC[C@H](O)CC1 306990234 375463431 /nfs/dbraw/zinc/46/34/31/375463431.db2.gz IOFWGCGCIYHWQV-XYPYZODXSA-N 1 1 181.279 1.245 10 30 ADEEMO C=CCN1CC[C@]2(CC[N@@H+](C)C2)C1 306994143 375463639 /nfs/dbraw/zinc/46/36/39/375463639.db2.gz MTMYWBXTPWZTTP-NSHDSACASA-N 1 1 180.295 1.200 10 30 ADEEMO C=CCN1CC[C@]2(CC[N@H+](C)C2)C1 306994143 375463644 /nfs/dbraw/zinc/46/36/44/375463644.db2.gz MTMYWBXTPWZTTP-NSHDSACASA-N 1 1 180.295 1.200 10 30 ADEEMO C=CCN1CC[C@@]2(CC[N@@H+](C)C2)C1 306994142 375463811 /nfs/dbraw/zinc/46/38/11/375463811.db2.gz MTMYWBXTPWZTTP-LLVKDONJSA-N 1 1 180.295 1.200 10 30 ADEEMO C=CCN1CC[C@@]2(CC[N@H+](C)C2)C1 306994142 375463817 /nfs/dbraw/zinc/46/38/17/375463817.db2.gz MTMYWBXTPWZTTP-LLVKDONJSA-N 1 1 180.295 1.200 10 30 ADEEMO CC1(C)[C@H](O)CC[N@H+]1CC1(C#N)CC1 336491801 375494361 /nfs/dbraw/zinc/49/43/61/375494361.db2.gz SVATUMZFHATABQ-SECBINFHSA-N 1 1 194.278 1.135 10 30 ADEEMO N#CC[C@H]1CC[N@H+](C/C=C\Cl)C1 397593160 375500624 /nfs/dbraw/zinc/50/06/24/375500624.db2.gz KUOVAFWSXXJEES-LVXRCVOFSA-N 1 1 184.670 1.974 10 30 ADEEMO C=C(C)C[N@H+](C[C@H](C)O)C(C)C 592976310 375562443 /nfs/dbraw/zinc/56/24/43/375562443.db2.gz NGKZOXOLPNKBDZ-JTQLQIEISA-N 1 1 171.284 1.654 10 30 ADEEMO C=C(C)C[N@H+](C[C@@H](C)O)C(C)C 592976311 375562600 /nfs/dbraw/zinc/56/26/00/375562600.db2.gz NGKZOXOLPNKBDZ-SNVBAGLBSA-N 1 1 171.284 1.654 10 30 ADEEMO C[N@@H+](CCCSCC#N)CC1CC1 610409595 375567305 /nfs/dbraw/zinc/56/73/05/375567305.db2.gz IQPPXRXIIGBRAA-UHFFFAOYSA-N 1 1 198.335 1.975 10 30 ADEEMO C[N@@H+](CCCSCC#N)C1CC1 610409590 375567338 /nfs/dbraw/zinc/56/73/38/375567338.db2.gz HBENBKJKPHNNNZ-UHFFFAOYSA-N 1 1 184.308 1.727 10 30 ADEEMO CC[N@@H+](C[C@@H](C)C#N)CC1(O)CCC1 611205662 375568270 /nfs/dbraw/zinc/56/82/70/375568270.db2.gz PDCBPGWKOIDATI-JTQLQIEISA-N 1 1 196.294 1.383 10 30 ADEEMO CC[N@@H+](C[C@H](C)C#N)CC1(O)CCC1 611205665 375568567 /nfs/dbraw/zinc/56/85/67/375568567.db2.gz PDCBPGWKOIDATI-SNVBAGLBSA-N 1 1 196.294 1.383 10 30 ADEEMO C=C(C)C[N@@H+](CC)[C@H](CC)C(=O)OC 611203667 375568617 /nfs/dbraw/zinc/56/86/17/375568617.db2.gz IDHJIUWPTIKHDU-SNVBAGLBSA-N 1 1 199.294 1.836 10 30 ADEEMO C=C(C)C[N@H+](CC)[C@H](CC)C(=O)OC 611203667 375568624 /nfs/dbraw/zinc/56/86/24/375568624.db2.gz IDHJIUWPTIKHDU-SNVBAGLBSA-N 1 1 199.294 1.836 10 30 ADEEMO C=C(C)C[N@@H+](C)Cc1conc1C 646153339 375581517 /nfs/dbraw/zinc/58/15/17/375581517.db2.gz HINOIJZSTQATHZ-UHFFFAOYSA-N 1 1 180.251 1.991 10 30 ADEEMO C=C(C)C[N@H+](C)Cc1conc1C 646153339 375581520 /nfs/dbraw/zinc/58/15/20/375581520.db2.gz HINOIJZSTQATHZ-UHFFFAOYSA-N 1 1 180.251 1.991 10 30 ADEEMO C=C(C)C[C@@H](C)c1nc(C[NH3+])no1 647159924 375626384 /nfs/dbraw/zinc/62/63/84/375626384.db2.gz VGXMTMSPHSKWEO-SSDOTTSWSA-N 1 1 181.239 1.598 10 30 ADEEMO C=C(C)C[C@H](C)c1nc(C[NH3+])no1 647159925 375626820 /nfs/dbraw/zinc/62/68/20/375626820.db2.gz VGXMTMSPHSKWEO-ZETCQYMHSA-N 1 1 181.239 1.598 10 30 ADEEMO C=C[C@H](C)[NH2+]Cc1nccnc1OC 648474789 375714779 /nfs/dbraw/zinc/71/47/79/375714779.db2.gz GPUZORCRRXIXRO-QMMMGPOBSA-N 1 1 193.250 1.149 10 30 ADEEMO C=C[C@@H](C)[NH2+]Cc1nccnc1OC 648474788 375714791 /nfs/dbraw/zinc/71/47/91/375714791.db2.gz GPUZORCRRXIXRO-MRVPVSSYSA-N 1 1 193.250 1.149 10 30 ADEEMO C=C(C)C[NH2+]Cc1nccnc1OC 648536820 375717143 /nfs/dbraw/zinc/71/71/43/375717143.db2.gz SERDMBRJJWCPOZ-UHFFFAOYSA-N 1 1 193.250 1.151 10 30 ADEEMO C=C(C)CCNC(=O)[C@H]1CC[N@H+](C)C1 650930180 409318860 /nfs/dbraw/zinc/31/88/60/409318860.db2.gz DCTDMDXRBPQRPE-JTQLQIEISA-N 1 1 196.294 1.021 10 30 ADEEMO C=C(C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 650930181 409318876 /nfs/dbraw/zinc/31/88/76/409318876.db2.gz DCTDMDXRBPQRPE-SNVBAGLBSA-N 1 1 196.294 1.021 10 30 ADEEMO C=CCCn1cc(C[N@@H+](C)CC)nn1 653535362 409372167 /nfs/dbraw/zinc/37/21/67/409372167.db2.gz PFJICVASAFTJNG-UHFFFAOYSA-N 1 1 194.282 1.306 10 30 ADEEMO C=CCCn1cc(C[N@H+](C)CC)nn1 653535362 409372172 /nfs/dbraw/zinc/37/21/72/409372172.db2.gz PFJICVASAFTJNG-UHFFFAOYSA-N 1 1 194.282 1.306 10 30 ADEEMO C=CC[N@H+](C)CCCc1cncn1C 653623523 409375104 /nfs/dbraw/zinc/37/51/04/409375104.db2.gz HMICJFQYCAYPKA-UHFFFAOYSA-N 1 1 193.294 1.471 10 30 ADEEMO C=C(CC)C[N@@H+]1CCn2nncc2C1 653793605 409378276 /nfs/dbraw/zinc/37/82/76/409378276.db2.gz XMPHZNHVBACFAA-UHFFFAOYSA-N 1 1 192.266 1.060 10 30 ADEEMO C=C(CC)C[N@H+]1CCn2nncc2C1 653793605 409378277 /nfs/dbraw/zinc/37/82/77/409378277.db2.gz XMPHZNHVBACFAA-UHFFFAOYSA-N 1 1 192.266 1.060 10 30 ADEEMO C=CCCC[N@H+]1CCn2nncc2C1 653794342 409378446 /nfs/dbraw/zinc/37/84/46/409378446.db2.gz YIYMBPISCDCMCK-UHFFFAOYSA-N 1 1 192.266 1.060 10 30 ADEEMO C=C(C)CC[N@H+]1CCn2nncc2C1 653793549 409378571 /nfs/dbraw/zinc/37/85/71/409378571.db2.gz HXPGVZAZYWCINH-UHFFFAOYSA-N 1 1 192.266 1.060 10 30 ADEEMO C=C[C@@H](C)NC(=O)C[NH+]1CC(C)(C)C1 654883450 409397350 /nfs/dbraw/zinc/39/73/50/409397350.db2.gz BCNFEWGKSBGGQX-SECBINFHSA-N 1 1 196.294 1.019 10 30 ADEEMO C=C[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 654883782 409397618 /nfs/dbraw/zinc/39/76/18/409397618.db2.gz MNTPUZUGAITVSU-ZJUUUORDSA-N 1 1 196.294 1.019 10 30 ADEEMO C=C[C@@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 654883781 409397906 /nfs/dbraw/zinc/39/79/06/409397906.db2.gz MNTPUZUGAITVSU-VHSXEESVSA-N 1 1 196.294 1.019 10 30 ADEEMO C=C[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 654883779 409398117 /nfs/dbraw/zinc/39/81/17/409398117.db2.gz MNTPUZUGAITVSU-NXEZZACHSA-N 1 1 196.294 1.019 10 30 ADEEMO C=C[C@H](C)NC(=O)C[NH+]1CC(C)(C)C1 654883451 409398369 /nfs/dbraw/zinc/39/83/69/409398369.db2.gz BCNFEWGKSBGGQX-VIFPVBQESA-N 1 1 196.294 1.019 10 30 ADEEMO C=C[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 654883780 409398310 /nfs/dbraw/zinc/39/83/10/409398310.db2.gz MNTPUZUGAITVSU-UWVGGRQHSA-N 1 1 196.294 1.019 10 30 ADEEMO C=C(C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 655009152 409399303 /nfs/dbraw/zinc/39/93/03/409399303.db2.gz HKBFJGPXADMBNE-SNVBAGLBSA-N 1 1 196.294 1.021 10 30 ADEEMO C=C(C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 655009151 409399947 /nfs/dbraw/zinc/39/99/47/409399947.db2.gz HKBFJGPXADMBNE-JTQLQIEISA-N 1 1 196.294 1.021 10 30 ADEEMO C=C(C)CNC(=O)C[NH+]1CC(C)(C)C1 655009261 409400027 /nfs/dbraw/zinc/40/00/27/409400027.db2.gz RBUIHNZERAQPPO-UHFFFAOYSA-N 1 1 196.294 1.021 10 30 ADEEMO C=CCCCN1CCC[C@H]([NH3+])C1 70593235 409429857 /nfs/dbraw/zinc/42/98/57/409429857.db2.gz CMOOYVVPPLJQSZ-JTQLQIEISA-N 1 1 168.284 1.376 10 30 ADEEMO C=CCC[N@@H+](C)C1CCNCC1 70593207 409430026 /nfs/dbraw/zinc/43/00/26/409430026.db2.gz GXQGJBUSJXOZOV-UHFFFAOYSA-N 1 1 168.284 1.246 10 30 ADEEMO C=CCC[N@H+](C)C1CCNCC1 70593207 409430031 /nfs/dbraw/zinc/43/00/31/409430031.db2.gz GXQGJBUSJXOZOV-UHFFFAOYSA-N 1 1 168.284 1.246 10 30 ADEEMO C=CCC[N@@H+]1CCCC[C@H]1CN 70593248 409430439 /nfs/dbraw/zinc/43/04/39/409430439.db2.gz FWPABLNRTSTXHZ-JTQLQIEISA-N 1 1 168.284 1.376 10 30 ADEEMO C=CCCN1CCCC[C@H]1C[NH3+] 70593248 409430440 /nfs/dbraw/zinc/43/04/40/409430440.db2.gz FWPABLNRTSTXHZ-JTQLQIEISA-N 1 1 168.284 1.376 10 30 ADEEMO C=CCCCN1CCC[C@@H]([NH3+])C1 70593236 409430989 /nfs/dbraw/zinc/43/09/89/409430989.db2.gz CMOOYVVPPLJQSZ-SNVBAGLBSA-N 1 1 168.284 1.376 10 30 ADEEMO C=CCn1cc(C[NH+]2CCCC2)nn1 656445437 409431288 /nfs/dbraw/zinc/43/12/88/409431288.db2.gz HNEVWNSKSDFDIV-UHFFFAOYSA-N 1 1 192.266 1.060 10 30 ADEEMO C=CCCC[N@H+](C)CCc1cn[nH]c1 656445756 409432153 /nfs/dbraw/zinc/43/21/53/409432153.db2.gz RXHDIUXNDSQJBT-UHFFFAOYSA-N 1 1 193.294 1.850 10 30 ADEEMO C=CC[N@@H+](C)CCn1cc(Cl)cn1 656498621 409436835 /nfs/dbraw/zinc/43/68/35/409436835.db2.gz BYWPBDUOHZXTQO-UHFFFAOYSA-N 1 1 199.685 1.654 10 30 ADEEMO C=CC[N@@H+](C)CCc1cn[nH]c1 656498617 409438213 /nfs/dbraw/zinc/43/82/13/409438213.db2.gz BEZWVOGVXXZBJR-UHFFFAOYSA-N 1 1 165.240 1.070 10 30 ADEEMO C=CCC[N@@H+]1CCCC[C@@H]1C1(O)CC1 656694504 409446544 /nfs/dbraw/zinc/44/65/44/409446544.db2.gz SIWGLNVTTZKBEV-LLVKDONJSA-N 1 1 195.306 1.942 10 30 ADEEMO C=CCC[N@@H+]1CCCC[C@H]1C1(O)CC1 656694505 409447776 /nfs/dbraw/zinc/44/77/76/409447776.db2.gz SIWGLNVTTZKBEV-NSHDSACASA-N 1 1 195.306 1.942 10 30 ADEEMO COCC#CC[N@@H+](C)C1CC(C)(C)C1 657245076 409461111 /nfs/dbraw/zinc/46/11/11/409461111.db2.gz DZCGDVKARVHWQU-UHFFFAOYSA-N 1 1 195.306 1.757 10 30 ADEEMO C=CC[NH2+]Cc1cn(C2CCC2)nn1 657287454 409466971 /nfs/dbraw/zinc/46/69/71/409466971.db2.gz MVVBJYYZRWVCRW-UHFFFAOYSA-N 1 1 192.266 1.279 10 30 ADEEMO CC#CC[NH2+][C@@H](C)c1ccn(C)n1 657312168 409469156 /nfs/dbraw/zinc/46/91/56/409469156.db2.gz BACZDJKHMREZDE-VIFPVBQESA-N 1 1 177.251 1.094 10 30 ADEEMO C=CC[N@H+]1CCC[C@@H]2COC[C@@H]21 657303768 409469697 /nfs/dbraw/zinc/46/96/97/409469697.db2.gz DRDRMKXVNIUWLO-ZJUUUORDSA-N 1 1 167.252 1.283 10 30 ADEEMO CC#CC[NH2+][C@H](C)c1ccn(C)n1 657312165 409469875 /nfs/dbraw/zinc/46/98/75/409469875.db2.gz BACZDJKHMREZDE-SECBINFHSA-N 1 1 177.251 1.094 10 30 ADEEMO C=CCOCC[N@H+]1C[C@@H]2C[C@H]1CS2 657393407 409474362 /nfs/dbraw/zinc/47/43/62/409474362.db2.gz RQDPTXIMRSNWBN-UWVGGRQHSA-N 1 1 199.319 1.379 10 30 ADEEMO C=CCN(C)C[C@@]1(C)CC[NH2+]C1 131437929 409485494 /nfs/dbraw/zinc/48/54/94/409485494.db2.gz IDSLVLOCVALNSW-JTQLQIEISA-N 1 1 168.284 1.104 10 30 ADEEMO C=CCN(C)C[C@]1(C)CC[NH2+]C1 131438093 409487580 /nfs/dbraw/zinc/48/75/80/409487580.db2.gz IDSLVLOCVALNSW-SNVBAGLBSA-N 1 1 168.284 1.104 10 30 ADEEMO C=CCOCCC[NH2+]Cc1ccn[nH]1 657658513 409488053 /nfs/dbraw/zinc/48/80/53/409488053.db2.gz ZYKIPAHCBHZJEQ-UHFFFAOYSA-N 1 1 195.266 1.092 10 30 ADEEMO C=CCCC[N@@H+]1CCC[C@H]1CN 133242499 409494257 /nfs/dbraw/zinc/49/42/57/409494257.db2.gz DJDKTNWBLMSQPH-JTQLQIEISA-N 1 1 168.284 1.376 10 30 ADEEMO C=CCCC[N@@H+]1CCC[C@@H]1CN 133242297 409495635 /nfs/dbraw/zinc/49/56/35/409495635.db2.gz DJDKTNWBLMSQPH-SNVBAGLBSA-N 1 1 168.284 1.376 10 30 ADEEMO C=C(C)C[N@H+]1CC[C@H](O)[C@H](C)C1 164621174 409504413 /nfs/dbraw/zinc/50/44/13/409504413.db2.gz ASUKOVFTZUJANN-ZJUUUORDSA-N 1 1 169.268 1.265 10 30 ADEEMO C=C(C)C[N@H+]1CC[C@H](O)[C@@H](C)C1 164621300 409504694 /nfs/dbraw/zinc/50/46/94/409504694.db2.gz ASUKOVFTZUJANN-UWVGGRQHSA-N 1 1 169.268 1.265 10 30 ADEEMO C[C@H]1C[C@@H](C)C[N@@H+](C[C@H]2CO2)C1 242437459 409525987 /nfs/dbraw/zinc/52/59/87/409525987.db2.gz CAKWSYBLOXHXJY-AEJSXWLSSA-N 1 1 169.268 1.363 10 30 ADEEMO C=C(C)CC[N@@H+]1C[C@@H](O)CC[C@@H]1C 306219225 409548636 /nfs/dbraw/zinc/54/86/36/409548636.db2.gz SJECCRBTPDUFFO-QWRGUYRKSA-N 1 1 183.295 1.798 10 30 ADEEMO C=CCN1C[C@H](C)[N@@H+](CC)C[C@H]1C 306286702 409554016 /nfs/dbraw/zinc/55/40/16/409554016.db2.gz DSCNIZWKPQXKFH-WDEREUQCSA-N 1 1 182.311 1.587 10 30 ADEEMO C=CC[N@@H+]1C[C@H](C)N(CC)C[C@H]1C 306286702 409554023 /nfs/dbraw/zinc/55/40/23/409554023.db2.gz DSCNIZWKPQXKFH-WDEREUQCSA-N 1 1 182.311 1.587 10 30 ADEEMO C=CC[N@H+]1C[C@H](C)N(CC)C[C@H]1C 306286702 409554027 /nfs/dbraw/zinc/55/40/27/409554027.db2.gz DSCNIZWKPQXKFH-WDEREUQCSA-N 1 1 182.311 1.587 10 30 ADEEMO C=CCN1C[C@H](C)[N@@H+](CC)C[C@@H]1C 306286698 409554665 /nfs/dbraw/zinc/55/46/65/409554665.db2.gz DSCNIZWKPQXKFH-QWRGUYRKSA-N 1 1 182.311 1.587 10 30 ADEEMO C=CC[N@@H+]1C[C@H](C)N(CC)C[C@@H]1C 306286698 409554669 /nfs/dbraw/zinc/55/46/69/409554669.db2.gz DSCNIZWKPQXKFH-QWRGUYRKSA-N 1 1 182.311 1.587 10 30 ADEEMO C=CC[N@H+]1C[C@H](C)N(CC)C[C@@H]1C 306286698 409554676 /nfs/dbraw/zinc/55/46/76/409554676.db2.gz DSCNIZWKPQXKFH-QWRGUYRKSA-N 1 1 182.311 1.587 10 30 ADEEMO C=CCN1C[C@@H](C)[N@@H+](CC)C[C@H]1C 306286690 409555182 /nfs/dbraw/zinc/55/51/82/409555182.db2.gz DSCNIZWKPQXKFH-GHMZBOCLSA-N 1 1 182.311 1.587 10 30 ADEEMO C=CC[N@@H+]1C[C@@H](C)N(CC)C[C@H]1C 306286690 409555191 /nfs/dbraw/zinc/55/51/91/409555191.db2.gz DSCNIZWKPQXKFH-GHMZBOCLSA-N 1 1 182.311 1.587 10 30 ADEEMO C=CC[N@H+]1C[C@@H](C)N(CC)C[C@H]1C 306286690 409555199 /nfs/dbraw/zinc/55/51/99/409555199.db2.gz DSCNIZWKPQXKFH-GHMZBOCLSA-N 1 1 182.311 1.587 10 30 ADEEMO C=CCN1C[C@@H](C)[N@@H+](CC)C[C@@H]1C 306286694 409555543 /nfs/dbraw/zinc/55/55/43/409555543.db2.gz DSCNIZWKPQXKFH-MNOVXSKESA-N 1 1 182.311 1.587 10 30 ADEEMO C=CC[N@@H+]1C[C@@H](C)N(CC)C[C@@H]1C 306286694 409555554 /nfs/dbraw/zinc/55/55/54/409555554.db2.gz DSCNIZWKPQXKFH-MNOVXSKESA-N 1 1 182.311 1.587 10 30 ADEEMO C=CC[N@H+]1C[C@@H](C)N(CC)C[C@@H]1C 306286694 409555563 /nfs/dbraw/zinc/55/55/63/409555563.db2.gz DSCNIZWKPQXKFH-MNOVXSKESA-N 1 1 182.311 1.587 10 30 ADEEMO C=CCCC[N@H+](C)C[C@H]1CNC(=O)C1 659940256 409563137 /nfs/dbraw/zinc/56/31/37/409563137.db2.gz DMVUPWITEHOVNP-SNVBAGLBSA-N 1 1 196.294 1.021 10 30 ADEEMO C=CCCC[N@H+](C)Cc1cn(C)cn1 659942549 409563522 /nfs/dbraw/zinc/56/35/22/409563522.db2.gz WSJOIMLZJKTCTI-UHFFFAOYSA-N 1 1 193.294 1.818 10 30 ADEEMO C=CCCC[N@H+](C)CCc1c[nH]nn1 659942039 409564365 /nfs/dbraw/zinc/56/43/65/409564365.db2.gz SJGKYNMIPZHQRI-UHFFFAOYSA-N 1 1 194.282 1.245 10 30 ADEEMO C=CCCC[N@@H+](C)CCc1cn[nH]n1 659942039 409564381 /nfs/dbraw/zinc/56/43/81/409564381.db2.gz SJGKYNMIPZHQRI-UHFFFAOYSA-N 1 1 194.282 1.245 10 30 ADEEMO C=CCCC[N@H+](C)CCc1cn[nH]n1 659942039 409564385 /nfs/dbraw/zinc/56/43/85/409564385.db2.gz SJGKYNMIPZHQRI-UHFFFAOYSA-N 1 1 194.282 1.245 10 30 ADEEMO CCC#C[C@H](C)[N@@H+](C)C[C@@H](C)O 306393261 409565331 /nfs/dbraw/zinc/56/53/31/409565331.db2.gz DPUVNTPEEQSFOE-VHSXEESVSA-N 1 1 169.268 1.101 10 30 ADEEMO C=CCCC[N@H+](C)C[C@@H]1CNC(=O)C1 659940253 409565444 /nfs/dbraw/zinc/56/54/44/409565444.db2.gz DMVUPWITEHOVNP-JTQLQIEISA-N 1 1 196.294 1.021 10 30 ADEEMO CCC#C[C@@H](C)[N@@H+](C)C[C@@H](C)O 306393260 409566491 /nfs/dbraw/zinc/56/64/91/409566491.db2.gz DPUVNTPEEQSFOE-NXEZZACHSA-N 1 1 169.268 1.101 10 30 ADEEMO C=C(CC)C[N@H+]1C[C@@H](O)CC[C@@H]1C 306428137 409568175 /nfs/dbraw/zinc/56/81/75/409568175.db2.gz MCELZQMZBCWGIQ-QWRGUYRKSA-N 1 1 183.295 1.798 10 30 ADEEMO CC#CCC[N@@H+]1CC[C@@H]1CC 306458485 409570265 /nfs/dbraw/zinc/57/02/65/409570265.db2.gz ZJTKAHXCBZEADF-JTQLQIEISA-N 1 1 151.253 1.884 10 30 ADEEMO CC#CCC[N@@H+]1CC[C@H]1CC 306458486 409570449 /nfs/dbraw/zinc/57/04/49/409570449.db2.gz ZJTKAHXCBZEADF-SNVBAGLBSA-N 1 1 151.253 1.884 10 30 ADEEMO C=C(C)C[N@H+](C)[C@@H]1CCN(CC)C1=O 660219668 409587875 /nfs/dbraw/zinc/58/78/75/409587875.db2.gz FHIRNDWYAYPKOV-SNVBAGLBSA-N 1 1 196.294 1.115 10 30 ADEEMO C=CC[N@H+](C[C@@H](COC)OC)C1CC1 660171168 409588078 /nfs/dbraw/zinc/58/80/78/409588078.db2.gz UVQQHCOZLCYHRA-NSHDSACASA-N 1 1 199.294 1.298 10 30 ADEEMO C=C(C)C[N@@H+](C)Cc1cc(OC)no1 660220141 409588760 /nfs/dbraw/zinc/58/87/60/409588760.db2.gz HVTPQYYCUVVELS-UHFFFAOYSA-N 1 1 196.250 1.691 10 30 ADEEMO C=C(C)C[N@H+](C)Cc1cc(OC)no1 660220141 409588767 /nfs/dbraw/zinc/58/87/67/409588767.db2.gz HVTPQYYCUVVELS-UHFFFAOYSA-N 1 1 196.250 1.691 10 30 ADEEMO C=C(C)C[N@@H+](C)Cc1cn(C)cn1 660219614 409589013 /nfs/dbraw/zinc/58/90/13/409589013.db2.gz DLSKBNWORQWFTM-UHFFFAOYSA-N 1 1 179.267 1.428 10 30 ADEEMO C=C(C)C[N@H+](C)Cc1cn(C)cn1 660219614 409589018 /nfs/dbraw/zinc/58/90/18/409589018.db2.gz DLSKBNWORQWFTM-UHFFFAOYSA-N 1 1 179.267 1.428 10 30 ADEEMO C=CC[N@H+](C[C@H](COC)OC)C1CC1 660171167 409589682 /nfs/dbraw/zinc/58/96/82/409589682.db2.gz UVQQHCOZLCYHRA-LLVKDONJSA-N 1 1 199.294 1.298 10 30 ADEEMO C=C(C)C[N@H+](C)[C@H]1CCN(CC)C1=O 660219667 409590068 /nfs/dbraw/zinc/59/00/68/409590068.db2.gz FHIRNDWYAYPKOV-JTQLQIEISA-N 1 1 196.294 1.115 10 30 ADEEMO C=C(C)C[N@H+](C)C[C@H](COC)OC 660223171 409592042 /nfs/dbraw/zinc/59/20/42/409592042.db2.gz ZQYTXDHVHYDAPW-SNVBAGLBSA-N 1 1 187.283 1.156 10 30 ADEEMO C=C(C)C[N@H+](C)C[C@@H](COC)OC 660223170 409592505 /nfs/dbraw/zinc/59/25/05/409592505.db2.gz ZQYTXDHVHYDAPW-JTQLQIEISA-N 1 1 187.283 1.156 10 30 ADEEMO C=C(C)C[N@H+](C)C[C@@]1(O)CCCOC1 660223079 409592783 /nfs/dbraw/zinc/59/27/83/409592783.db2.gz XRHBRNQEVDLIRR-NSHDSACASA-N 1 1 199.294 1.036 10 30 ADEEMO C=C(C)C[N@H+](C)C[C@]1(O)CCCOC1 660223078 409593177 /nfs/dbraw/zinc/59/31/77/409593177.db2.gz XRHBRNQEVDLIRR-LLVKDONJSA-N 1 1 199.294 1.036 10 30 ADEEMO C=CC[N@H+](C)C[C@H](OC)C1CCC1 660328292 409595210 /nfs/dbraw/zinc/59/52/10/409595210.db2.gz IZQQNYMTJPYSQT-NSHDSACASA-N 1 1 183.295 1.919 10 30 ADEEMO C=CC[N@H+](C)C[C@H](OC)[C@H]1CCOC1 660329562 409595879 /nfs/dbraw/zinc/59/58/79/409595879.db2.gz XOJVXUPYPYBGKR-QWRGUYRKSA-N 1 1 199.294 1.156 10 30 ADEEMO C=CCC[N@H+](C)C[C@@H](COC)OC 660398449 409595382 /nfs/dbraw/zinc/59/53/82/409595382.db2.gz FQPVTTFTVJICSS-JTQLQIEISA-N 1 1 187.283 1.156 10 30 ADEEMO C=CC[N@H+](C)C[C@@H](OC)C1CCC1 660328290 409595569 /nfs/dbraw/zinc/59/55/69/409595569.db2.gz IZQQNYMTJPYSQT-LLVKDONJSA-N 1 1 183.295 1.919 10 30 ADEEMO C=CCC[N@H+](C)C[C@]1(O)CCCOC1 660403306 409595907 /nfs/dbraw/zinc/59/59/07/409595907.db2.gz VXOLUPBTNTVTGJ-LLVKDONJSA-N 1 1 199.294 1.036 10 30 ADEEMO C=CC[N@H+](C)C[C@@H](OC)[C@@H]1CCOC1 660329560 409595926 /nfs/dbraw/zinc/59/59/26/409595926.db2.gz XOJVXUPYPYBGKR-GHMZBOCLSA-N 1 1 199.294 1.156 10 30 ADEEMO C=CCC[N@H+](C)C[C@@]1(O)CCCOC1 660403307 409596314 /nfs/dbraw/zinc/59/63/14/409596314.db2.gz VXOLUPBTNTVTGJ-NSHDSACASA-N 1 1 199.294 1.036 10 30 ADEEMO C=CCC[N@@H+](C)Cc1coc(C)n1 660397957 409596439 /nfs/dbraw/zinc/59/64/39/409596439.db2.gz BHVFARLAQNNZDD-UHFFFAOYSA-N 1 1 180.251 1.991 10 30 ADEEMO C=CCC[N@H+](C)Cc1coc(C)n1 660397957 409596448 /nfs/dbraw/zinc/59/64/48/409596448.db2.gz BHVFARLAQNNZDD-UHFFFAOYSA-N 1 1 180.251 1.991 10 30 ADEEMO C=CC[N@@H+](C)CCO[C@@H]1CC1(F)F 660329832 409596572 /nfs/dbraw/zinc/59/65/72/409596572.db2.gz YMAWJWKSTXOVRQ-MRVPVSSYSA-N 1 1 191.221 1.528 10 30 ADEEMO C=CC[N@H+](C)C[C@H](OC)[C@@H]1CCOC1 660329561 409596843 /nfs/dbraw/zinc/59/68/43/409596843.db2.gz XOJVXUPYPYBGKR-MNOVXSKESA-N 1 1 199.294 1.156 10 30 ADEEMO C=CC[N@@H+](C)CCO[C@H]1CC1(F)F 660329833 409597116 /nfs/dbraw/zinc/59/71/16/409597116.db2.gz YMAWJWKSTXOVRQ-QMMMGPOBSA-N 1 1 191.221 1.528 10 30 ADEEMO C=C(CC)C[N@H+]1C[C@@H](O)CC[C@H]1C 306884562 409597682 /nfs/dbraw/zinc/59/76/82/409597682.db2.gz MCELZQMZBCWGIQ-MNOVXSKESA-N 1 1 183.295 1.798 10 30 ADEEMO C=CCC[N@H+](C)C[C@H](COC)OC 660398450 409598600 /nfs/dbraw/zinc/59/86/00/409598600.db2.gz FQPVTTFTVJICSS-SNVBAGLBSA-N 1 1 187.283 1.156 10 30 ADEEMO C=CC[N@H+](C)C[C@@H](OC)[C@H]1CCOC1 660329563 409598744 /nfs/dbraw/zinc/59/87/44/409598744.db2.gz XOJVXUPYPYBGKR-WDEREUQCSA-N 1 1 199.294 1.156 10 30 ADEEMO C=C(CC)C[N@H+]1C[C@H](O)CC[C@@H]1C 306884563 409598818 /nfs/dbraw/zinc/59/88/18/409598818.db2.gz MCELZQMZBCWGIQ-WDEREUQCSA-N 1 1 183.295 1.798 10 30 ADEEMO C=C(C)C[N@@H+]1C[C@H](O)CC[C@@H]1C 306943096 409603077 /nfs/dbraw/zinc/60/30/77/409603077.db2.gz ISLUGMVDJZRIQF-VHSXEESVSA-N 1 1 169.268 1.408 10 30 ADEEMO C=C(C)C[N@@H+]1C[C@@H](O)CC[C@H]1C 306943098 409603937 /nfs/dbraw/zinc/60/39/37/409603937.db2.gz ISLUGMVDJZRIQF-ZJUUUORDSA-N 1 1 169.268 1.408 10 30 ADEEMO C=C(C)C[N@@H+]1C[C@@H](O)CC[C@@H]1C 306943094 409605054 /nfs/dbraw/zinc/60/50/54/409605054.db2.gz ISLUGMVDJZRIQF-UWVGGRQHSA-N 1 1 169.268 1.408 10 30 ADEEMO C=C(C)CC[N@H+]1CCn2cncc2C1 660581936 409605207 /nfs/dbraw/zinc/60/52/07/409605207.db2.gz KUORAWYZLKRTMO-UHFFFAOYSA-N 1 1 191.278 1.665 10 30 ADEEMO CC#CC[N@@H+]1CCO[C@H](C(C)C)C1 307005484 409608745 /nfs/dbraw/zinc/60/87/45/409608745.db2.gz FAEVWZLVYNIRLQ-NSHDSACASA-N 1 1 181.279 1.367 10 30 ADEEMO CC#CC[N@H+]1CCO[C@H](C(C)C)C1 307005484 409608751 /nfs/dbraw/zinc/60/87/51/409608751.db2.gz FAEVWZLVYNIRLQ-NSHDSACASA-N 1 1 181.279 1.367 10 30 ADEEMO CC#CC[N@@H+]1CCO[C@@H](C(C)C)C1 307005482 409609956 /nfs/dbraw/zinc/60/99/56/409609956.db2.gz FAEVWZLVYNIRLQ-LLVKDONJSA-N 1 1 181.279 1.367 10 30 ADEEMO CC#CC[N@H+]1CCO[C@@H](C(C)C)C1 307005482 409609960 /nfs/dbraw/zinc/60/99/60/409609960.db2.gz FAEVWZLVYNIRLQ-LLVKDONJSA-N 1 1 181.279 1.367 10 30 ADEEMO C=CC[N@@H+]1C[C@H](O)CC[C@H]1C 307078316 409611799 /nfs/dbraw/zinc/61/17/99/409611799.db2.gz FARBXSNMOAYJGZ-RKDXNWHRSA-N 1 1 155.241 1.018 10 30 ADEEMO C=CC[N@@H+]1C[C@@H](O)CC[C@H]1C 307078308 409611960 /nfs/dbraw/zinc/61/19/60/409611960.db2.gz FARBXSNMOAYJGZ-BDAKNGLRSA-N 1 1 155.241 1.018 10 30 ADEEMO CC#CC[N@@H+](C)Cc1cccc(N)c1 660645222 409612253 /nfs/dbraw/zinc/61/22/53/409612253.db2.gz ADHPSRWNSONEQB-UHFFFAOYSA-N 1 1 188.274 1.724 10 30 ADEEMO CC#CC[N@@H+](C)C[C@H]1C[C@@H]2C[C@@H]2C1 660644812 409612729 /nfs/dbraw/zinc/61/27/29/409612729.db2.gz OMTHWGVGWNAXOI-ZSBIGDGJSA-N 1 1 177.291 1.988 10 30 ADEEMO C=CC[N@@H+]1C[C@H](O)CC[C@@H]1C 307078313 409612991 /nfs/dbraw/zinc/61/29/91/409612991.db2.gz FARBXSNMOAYJGZ-DTWKUNHWSA-N 1 1 155.241 1.018 10 30 ADEEMO C=CC[N@@H+]1C[C@@H](O)CC[C@@H]1C 307078314 409613925 /nfs/dbraw/zinc/61/39/25/409613925.db2.gz FARBXSNMOAYJGZ-IUCAKERBSA-N 1 1 155.241 1.018 10 30 ADEEMO CC#CC[N@@H+](C)[C@@H]1CCO[C@H](C)C1 660645003 409614033 /nfs/dbraw/zinc/61/40/33/409614033.db2.gz QIWGSFNWWKYFHQ-GHMZBOCLSA-N 1 1 181.279 1.509 10 30 ADEEMO CC#CC[N@H+](C)C[C@@H](OC)C1CCC1 660644135 409614181 /nfs/dbraw/zinc/61/41/81/409614181.db2.gz HVOWJCKKPBWEDX-GFCCVEGCSA-N 1 1 195.306 1.757 10 30 ADEEMO CC#CC[N@H+](C)C[C@H](OC)C1CCC1 660644137 409614410 /nfs/dbraw/zinc/61/44/10/409614410.db2.gz HVOWJCKKPBWEDX-LBPRGKRZSA-N 1 1 195.306 1.757 10 30 ADEEMO C=CCC[N@@H+]1CCCN(CC)C[C@@H]1C 660786833 409619841 /nfs/dbraw/zinc/61/98/41/409619841.db2.gz DXYVSBOQHFOUQU-LBPRGKRZSA-N 1 1 196.338 1.979 10 30 ADEEMO C=CCCN1CCC[N@@H+](CC)C[C@@H]1C 660786833 409619849 /nfs/dbraw/zinc/61/98/49/409619849.db2.gz DXYVSBOQHFOUQU-LBPRGKRZSA-N 1 1 196.338 1.979 10 30 ADEEMO C=CCCN1CCC[N@H+](CC)C[C@@H]1C 660786833 409619855 /nfs/dbraw/zinc/61/98/55/409619855.db2.gz DXYVSBOQHFOUQU-LBPRGKRZSA-N 1 1 196.338 1.979 10 30 ADEEMO C=CCC[N@@H+]1CCCN(CC)C[C@H]1C 660786832 409622380 /nfs/dbraw/zinc/62/23/80/409622380.db2.gz DXYVSBOQHFOUQU-GFCCVEGCSA-N 1 1 196.338 1.979 10 30 ADEEMO C=CCCN1CCC[N@@H+](CC)C[C@H]1C 660786832 409622386 /nfs/dbraw/zinc/62/23/86/409622386.db2.gz DXYVSBOQHFOUQU-GFCCVEGCSA-N 1 1 196.338 1.979 10 30 ADEEMO C=CCCN1CCC[N@H+](CC)C[C@H]1C 660786832 409622393 /nfs/dbraw/zinc/62/23/93/409622393.db2.gz DXYVSBOQHFOUQU-GFCCVEGCSA-N 1 1 196.338 1.979 10 30 ADEEMO COCC#CC[N@H+]1C[C@@H]2CCCC[C@@H]21 660932882 409626620 /nfs/dbraw/zinc/62/66/20/409626620.db2.gz GCQJLXQTHCCXAH-RYUDHWBXSA-N 1 1 193.290 1.511 10 30 ADEEMO C=C(C)[C@@H](CO)[N@H+]1C[C@@H]2CCCC[C@@H]21 660933285 409624931 /nfs/dbraw/zinc/62/49/31/409624931.db2.gz NTVQVUSQTLUBLL-SDDRHHMPSA-N 1 1 195.306 1.798 10 30 ADEEMO CC#CC[N@H+]1C[C@@H]2CCCC[C@@H]21 660928931 409625310 /nfs/dbraw/zinc/62/53/10/409625310.db2.gz AOQZDICICBOWLD-QWRGUYRKSA-N 1 1 163.264 1.884 10 30 ADEEMO C=C(C)[C@H](CO)[N@H+]1C[C@@H]2CCCC[C@@H]21 660933286 409625771 /nfs/dbraw/zinc/62/57/71/409625771.db2.gz NTVQVUSQTLUBLL-SRVKXCTJSA-N 1 1 195.306 1.798 10 30 ADEEMO C=C(CC)C[N@H+](C)Cc1c[nH]cn1 661087792 409630844 /nfs/dbraw/zinc/63/08/44/409630844.db2.gz AVWNOQJYJJQUGS-UHFFFAOYSA-N 1 1 179.267 1.808 10 30 ADEEMO C=C(CC)C[N@@H+](C)Cc1c[nH]cn1 661087792 409630849 /nfs/dbraw/zinc/63/08/49/409630849.db2.gz AVWNOQJYJJQUGS-UHFFFAOYSA-N 1 1 179.267 1.808 10 30 ADEEMO CC#CCC[N@H+](C)Cc1c[nH]cn1 661088155 409631584 /nfs/dbraw/zinc/63/15/84/409631584.db2.gz DWQWVZAMGRIUKB-UHFFFAOYSA-N 1 1 177.251 1.255 10 30 ADEEMO CC#CCC[N@@H+](C)Cc1c[nH]cn1 661088155 409631589 /nfs/dbraw/zinc/63/15/89/409631589.db2.gz DWQWVZAMGRIUKB-UHFFFAOYSA-N 1 1 177.251 1.255 10 30 ADEEMO CC#CCC[N@H+](C)Cc1cnc[nH]1 661088155 409631593 /nfs/dbraw/zinc/63/15/93/409631593.db2.gz DWQWVZAMGRIUKB-UHFFFAOYSA-N 1 1 177.251 1.255 10 30 ADEEMO CC#CCC[N@@H+](C)Cc1cnc[nH]1 661088155 409631596 /nfs/dbraw/zinc/63/15/96/409631596.db2.gz DWQWVZAMGRIUKB-UHFFFAOYSA-N 1 1 177.251 1.255 10 30 ADEEMO CC#CC[N@H+](C)Cc1ccncc1 307280999 409633180 /nfs/dbraw/zinc/63/31/80/409633180.db2.gz BTRAFTVVFTWBES-UHFFFAOYSA-N 1 1 174.247 1.537 10 30 ADEEMO CC#CC[N@@H+](C)Cc1ccncc1 307280999 409633186 /nfs/dbraw/zinc/63/31/86/409633186.db2.gz BTRAFTVVFTWBES-UHFFFAOYSA-N 1 1 174.247 1.537 10 30 ADEEMO C=CC[N@H+]1CCO[C@@](C)(C2CC2)C1 661163194 409633460 /nfs/dbraw/zinc/63/34/60/409633460.db2.gz AWQTTYXMQAWGPM-LLVKDONJSA-N 1 1 181.279 1.673 10 30 ADEEMO C=CC[N@H+]1CCO[C@](C)(C2CC2)C1 661163195 409633636 /nfs/dbraw/zinc/63/36/36/409633636.db2.gz AWQTTYXMQAWGPM-NSHDSACASA-N 1 1 181.279 1.673 10 30 ADEEMO C=CC[N@H+](CCCF)[C@@H](C)COC 661241971 409636313 /nfs/dbraw/zinc/63/63/13/409636313.db2.gz FXBOGCQBXHQGKM-JTQLQIEISA-N 1 1 189.274 1.869 10 30 ADEEMO C=CC[N@H+](CCC#CC)[C@H](C)COC 661239613 409636672 /nfs/dbraw/zinc/63/66/72/409636672.db2.gz HSJDWAUTQXCBHZ-GFCCVEGCSA-N 1 1 195.306 1.923 10 30 ADEEMO CC#CC[N@@H+]1CCO[C@@](C)(C2CC2)C1 661171693 409637312 /nfs/dbraw/zinc/63/73/12/409637312.db2.gz PWWHXYMKQVRHTM-GFCCVEGCSA-N 1 1 193.290 1.511 10 30 ADEEMO CC#CC[N@H+]1CCO[C@@](C)(C2CC2)C1 661171693 409637321 /nfs/dbraw/zinc/63/73/21/409637321.db2.gz PWWHXYMKQVRHTM-GFCCVEGCSA-N 1 1 193.290 1.511 10 30 ADEEMO CC#CC[N@@H+]1CCO[C@](C)(C2CC2)C1 661171694 409637541 /nfs/dbraw/zinc/63/75/41/409637541.db2.gz PWWHXYMKQVRHTM-LBPRGKRZSA-N 1 1 193.290 1.511 10 30 ADEEMO CC#CC[N@H+]1CCO[C@](C)(C2CC2)C1 661171694 409637547 /nfs/dbraw/zinc/63/75/47/409637547.db2.gz PWWHXYMKQVRHTM-LBPRGKRZSA-N 1 1 193.290 1.511 10 30 ADEEMO C=CC[N@H+](CCC)[C@H](C)COC 661242786 409637935 /nfs/dbraw/zinc/63/79/35/409637935.db2.gz FXBSESRPKMKXNN-SNVBAGLBSA-N 1 1 171.284 1.919 10 30 ADEEMO C=CC[N@H+](CCCF)[C@H](C)COC 661241972 409638288 /nfs/dbraw/zinc/63/82/88/409638288.db2.gz FXBOGCQBXHQGKM-SNVBAGLBSA-N 1 1 189.274 1.869 10 30 ADEEMO C=CC[N@H+](CCC)[C@@H](C)COC 661242784 409638778 /nfs/dbraw/zinc/63/87/78/409638778.db2.gz FXBSESRPKMKXNN-JTQLQIEISA-N 1 1 171.284 1.919 10 30 ADEEMO C=CC[N@H+](CCC#CC)[C@@H](C)COC 661239614 409638628 /nfs/dbraw/zinc/63/86/28/409638628.db2.gz HSJDWAUTQXCBHZ-LBPRGKRZSA-N 1 1 195.306 1.923 10 30 ADEEMO C=CC[N@@H+]1CC2(CCC2)OC[C@@H]1C 661466381 409640973 /nfs/dbraw/zinc/64/09/73/409640973.db2.gz LMSFYJBKIDOCQN-JTQLQIEISA-N 1 1 181.279 1.816 10 30 ADEEMO C=CC[N@@H+]1CC2(CCC2)OC[C@H]1C 661466382 409641607 /nfs/dbraw/zinc/64/16/07/409641607.db2.gz LMSFYJBKIDOCQN-SNVBAGLBSA-N 1 1 181.279 1.816 10 30 ADEEMO C=C(C)CC[N@@H+]1C[C@@H](O)CC[C@H]1C 307435854 409644647 /nfs/dbraw/zinc/64/46/47/409644647.db2.gz SJECCRBTPDUFFO-MNOVXSKESA-N 1 1 183.295 1.798 10 30 ADEEMO C=C(C)C[N@H+]1C[C@@]2(C)COC[C@@]2(C)C1 661494370 409644925 /nfs/dbraw/zinc/64/49/25/409644925.db2.gz KTUCKZXSWHMAOZ-TXEJJXNPSA-N 1 1 195.306 1.921 10 30 ADEEMO C=CCC[N@H+]1C[C@@]2(C)COC[C@@]2(C)C1 661493439 409645071 /nfs/dbraw/zinc/64/50/71/409645071.db2.gz WPEAUJDNILAISY-TXEJJXNPSA-N 1 1 195.306 1.921 10 30 ADEEMO C=C(C)CC[N@@H+]1C[C@H](O)CC[C@H]1C 307435851 409645074 /nfs/dbraw/zinc/64/50/74/409645074.db2.gz SJECCRBTPDUFFO-GHMZBOCLSA-N 1 1 183.295 1.798 10 30 ADEEMO C=CC[N@H+]1C[C@@]2(C)COC[C@@]2(C)C1 661501217 409645449 /nfs/dbraw/zinc/64/54/49/409645449.db2.gz JVJGMCXOSWZMSV-PHIMTYICSA-N 1 1 181.279 1.531 10 30 ADEEMO C=C(C)CC[N@@H+](C)Cc1nnc(C)o1 661529070 409645497 /nfs/dbraw/zinc/64/54/97/409645497.db2.gz JUMLLCUIVKPYNA-UHFFFAOYSA-N 1 1 195.266 1.776 10 30 ADEEMO C=C(C)CC[N@H+](C)Cc1nnc(C)o1 661529070 409645506 /nfs/dbraw/zinc/64/55/06/409645506.db2.gz JUMLLCUIVKPYNA-UHFFFAOYSA-N 1 1 195.266 1.776 10 30 ADEEMO C=C(C)CC[N@@H+]1C[C@H](O)CC[C@@H]1C 307435857 409646353 /nfs/dbraw/zinc/64/63/53/409646353.db2.gz SJECCRBTPDUFFO-WDEREUQCSA-N 1 1 183.295 1.798 10 30 ADEEMO C[C@@H]1C[NH+](CCCC#N)C[C@@H](C)C1=O 661538427 409646596 /nfs/dbraw/zinc/64/65/96/409646596.db2.gz KBNBLQYQESMHGP-NXEZZACHSA-N 1 1 194.278 1.447 10 30 ADEEMO CC#CC[N@H+]1C[C@@]2(C)COC[C@@]2(C)C1 661491665 409647371 /nfs/dbraw/zinc/64/73/71/409647371.db2.gz UGILITLTZLTLAM-TXEJJXNPSA-N 1 1 193.290 1.368 10 30 ADEEMO CC#CC[N@H+]1CC2(CCC2)OC[C@H]1C 661471356 409647233 /nfs/dbraw/zinc/64/72/33/409647233.db2.gz ZQPPEMQULFLHBB-LLVKDONJSA-N 1 1 193.290 1.653 10 30 ADEEMO CC#CC[N@H+]1CC2(CCC2)OC[C@@H]1C 661471357 409647547 /nfs/dbraw/zinc/64/75/47/409647547.db2.gz ZQPPEMQULFLHBB-NSHDSACASA-N 1 1 193.290 1.653 10 30 ADEEMO C=CCC[N@@H+]1CCC[C@](O)(C2CC2)C1 661632703 409649241 /nfs/dbraw/zinc/64/92/41/409649241.db2.gz ROVHXYFFMONATR-GFCCVEGCSA-N 1 1 195.306 1.799 10 30 ADEEMO C=C(C)CC[N@@H+]1C[C@H](C)[C@@H](O)[C@H](C)C1 661619871 409649431 /nfs/dbraw/zinc/64/94/31/409649431.db2.gz DMDPOUCOGFUYIL-GDNZZTSVSA-N 1 1 197.322 1.901 10 30 ADEEMO C=CC[N@@H+]1CCC[C@@](O)(C2CC2)C1 661630945 409649547 /nfs/dbraw/zinc/64/95/47/409649547.db2.gz WXJONTGFIJWEPK-NSHDSACASA-N 1 1 181.279 1.409 10 30 ADEEMO C=C(CC)C[N@H+]1C[C@H](C)[C@@H](O)[C@H](C)C1 661620470 409649701 /nfs/dbraw/zinc/64/97/01/409649701.db2.gz AQCHDMXENRZOFB-GDNZZTSVSA-N 1 1 197.322 1.901 10 30 ADEEMO C=CCC[N@@H+]1C[C@H](C)[C@@H](O)[C@H](C)C1 661621324 409649977 /nfs/dbraw/zinc/64/99/77/409649977.db2.gz NCIYAOKFLRHWFL-URLYPYJESA-N 1 1 183.295 1.511 10 30 ADEEMO C=CCCC[N@@H+]1C[C@H](C)[C@@H](O)[C@H](C)C1 661631295 409650103 /nfs/dbraw/zinc/65/01/03/409650103.db2.gz OIHSZPNVAKIIOM-GDNZZTSVSA-N 1 1 197.322 1.901 10 30 ADEEMO C=C(C)C[N@H+]1CCC[C@](O)(C2CC2)C1 661629130 409650575 /nfs/dbraw/zinc/65/05/75/409650575.db2.gz QBKYWKZWDIFVMS-GFCCVEGCSA-N 1 1 195.306 1.799 10 30 ADEEMO C=C(C)C[N@H+]1CCC[C@@](O)(C2CC2)C1 661629131 409650677 /nfs/dbraw/zinc/65/06/77/409650677.db2.gz QBKYWKZWDIFVMS-LBPRGKRZSA-N 1 1 195.306 1.799 10 30 ADEEMO C=CC[N@@H+]1CCC[C@](O)(C2CC2)C1 661630944 409650870 /nfs/dbraw/zinc/65/08/70/409650870.db2.gz WXJONTGFIJWEPK-LLVKDONJSA-N 1 1 181.279 1.409 10 30 ADEEMO CC#CCC[N@H+]1C[C@H](C)[C@@H](O)[C@H](C)C1 661628430 409651021 /nfs/dbraw/zinc/65/10/21/409651021.db2.gz UAXMFWBGRFNZAF-GDNZZTSVSA-N 1 1 195.306 1.349 10 30 ADEEMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C)C[C@H]21 307492893 409651030 /nfs/dbraw/zinc/65/10/30/409651030.db2.gz QIKZBHUJSUPHSM-GHMZBOCLSA-N 1 1 180.295 1.198 10 30 ADEEMO C=C(C)CN1CC[C@@H]2C[N@@H+](C)C[C@H]21 307492893 409651037 /nfs/dbraw/zinc/65/10/37/409651037.db2.gz QIKZBHUJSUPHSM-GHMZBOCLSA-N 1 1 180.295 1.198 10 30 ADEEMO C=C(C)CN1CC[C@@H]2C[N@H+](C)C[C@H]21 307492893 409651047 /nfs/dbraw/zinc/65/10/47/409651047.db2.gz QIKZBHUJSUPHSM-GHMZBOCLSA-N 1 1 180.295 1.198 10 30 ADEEMO C=CCC[N@@H+]1CCC[C@@](O)(C2CC2)C1 661632704 409651705 /nfs/dbraw/zinc/65/17/05/409651705.db2.gz ROVHXYFFMONATR-LBPRGKRZSA-N 1 1 195.306 1.799 10 30 ADEEMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C)C[C@@H]21 307492894 409652012 /nfs/dbraw/zinc/65/20/12/409652012.db2.gz QIKZBHUJSUPHSM-MNOVXSKESA-N 1 1 180.295 1.198 10 30 ADEEMO C=C(C)CN1CC[C@@H]2C[N@@H+](C)C[C@@H]21 307492894 409652016 /nfs/dbraw/zinc/65/20/16/409652016.db2.gz QIKZBHUJSUPHSM-MNOVXSKESA-N 1 1 180.295 1.198 10 30 ADEEMO C=C(C)CN1CC[C@@H]2C[N@H+](C)C[C@@H]21 307492894 409652022 /nfs/dbraw/zinc/65/20/22/409652022.db2.gz QIKZBHUJSUPHSM-MNOVXSKESA-N 1 1 180.295 1.198 10 30 ADEEMO C=C(C)C[N@@H+]1CC[C@H]2CN(C)C[C@H]21 307492897 409652105 /nfs/dbraw/zinc/65/21/05/409652105.db2.gz QIKZBHUJSUPHSM-WDEREUQCSA-N 1 1 180.295 1.198 10 30 ADEEMO C=C(C)CN1CC[C@H]2C[N@@H+](C)C[C@H]21 307492897 409652113 /nfs/dbraw/zinc/65/21/13/409652113.db2.gz QIKZBHUJSUPHSM-WDEREUQCSA-N 1 1 180.295 1.198 10 30 ADEEMO C=C(C)CN1CC[C@H]2C[N@H+](C)C[C@H]21 307492897 409652115 /nfs/dbraw/zinc/65/21/15/409652115.db2.gz QIKZBHUJSUPHSM-WDEREUQCSA-N 1 1 180.295 1.198 10 30 ADEEMO C=C(C)C[N@@H+]1CC[C@H]2CN(C)C[C@@H]21 307492896 409652555 /nfs/dbraw/zinc/65/25/55/409652555.db2.gz QIKZBHUJSUPHSM-QWRGUYRKSA-N 1 1 180.295 1.198 10 30 ADEEMO C=C(C)CN1CC[C@H]2C[N@@H+](C)C[C@@H]21 307492896 409652563 /nfs/dbraw/zinc/65/25/63/409652563.db2.gz QIKZBHUJSUPHSM-QWRGUYRKSA-N 1 1 180.295 1.198 10 30 ADEEMO C=C(C)CN1CC[C@H]2C[N@H+](C)C[C@@H]21 307492896 409652568 /nfs/dbraw/zinc/65/25/68/409652568.db2.gz QIKZBHUJSUPHSM-QWRGUYRKSA-N 1 1 180.295 1.198 10 30 ADEEMO C=C(C)CC[N@H+]1C[C@@H]2COC[C@]2(C)C1 661698322 409652764 /nfs/dbraw/zinc/65/27/64/409652764.db2.gz AQLOCXWXEHSYGC-NEPJUHHUSA-N 1 1 195.306 1.921 10 30 ADEEMO CC#CCC[N@H+]1C[C@@H]2COC[C@]2(C)C1 661703867 409653095 /nfs/dbraw/zinc/65/30/95/409653095.db2.gz NDTJJUDMDXZQLF-NEPJUHHUSA-N 1 1 193.290 1.368 10 30 ADEEMO C=C(C)C[N@H+]1C[C@H]2COC[C@@]2(C)C1 661698731 409653173 /nfs/dbraw/zinc/65/31/73/409653173.db2.gz SWYFWBBJUVYYHG-WDEREUQCSA-N 1 1 181.279 1.531 10 30 ADEEMO C=CC[N@@H+]1C[C@@H]2COC[C@@]2(C)C1 661700186 409653412 /nfs/dbraw/zinc/65/34/12/409653412.db2.gz WZYFCBYZMUYIQB-NXEZZACHSA-N 1 1 167.252 1.141 10 30 ADEEMO C=CCC[N@@H+]1C[C@@H]2COC[C@]2(C)C1 661700373 409653430 /nfs/dbraw/zinc/65/34/30/409653430.db2.gz CIGYJQFSWRGCDA-MNOVXSKESA-N 1 1 181.279 1.531 10 30 ADEEMO CC#CCC[N@H+]1C[C@H]2COC[C@@]2(C)C1 661703868 409653505 /nfs/dbraw/zinc/65/35/05/409653505.db2.gz NDTJJUDMDXZQLF-NWDGAFQWSA-N 1 1 193.290 1.368 10 30 ADEEMO C=CC[N@@H+]1C[C@@H]2COC[C@]2(C)C1 661700192 409653525 /nfs/dbraw/zinc/65/35/25/409653525.db2.gz WZYFCBYZMUYIQB-ZJUUUORDSA-N 1 1 167.252 1.141 10 30 ADEEMO C=CCC[N@@H+]1C[C@H]2COC[C@]2(C)C1 661700376 409653675 /nfs/dbraw/zinc/65/36/75/409653675.db2.gz CIGYJQFSWRGCDA-QWRGUYRKSA-N 1 1 181.279 1.531 10 30 ADEEMO C=C(C)C[N@H+]1C[C@@H]2COC[C@@]2(C)C1 661698728 409653798 /nfs/dbraw/zinc/65/37/98/409653798.db2.gz SWYFWBBJUVYYHG-GHMZBOCLSA-N 1 1 181.279 1.531 10 30 ADEEMO C=C(CC)C[N@H+]1C[C@H]2COC[C@]2(C)C1 661701758 409653863 /nfs/dbraw/zinc/65/38/63/409653863.db2.gz RGHPEVFJRSTGIS-RYUDHWBXSA-N 1 1 195.306 1.921 10 30 ADEEMO C=C(C)CC[N@H+]1C[C@H]2COC[C@@]2(C)C1 661698323 409653880 /nfs/dbraw/zinc/65/38/80/409653880.db2.gz AQLOCXWXEHSYGC-NWDGAFQWSA-N 1 1 195.306 1.921 10 30 ADEEMO C=C(C)C[N@H+]1C[C@H]2COC[C@]2(C)C1 661698730 409654771 /nfs/dbraw/zinc/65/47/71/409654771.db2.gz SWYFWBBJUVYYHG-QWRGUYRKSA-N 1 1 181.279 1.531 10 30 ADEEMO C=CCCC[N@@H+]1C[C@H]2COC[C@]2(C)C1 661700414 409654139 /nfs/dbraw/zinc/65/41/39/409654139.db2.gz CQATUDPAFFONSQ-RYUDHWBXSA-N 1 1 195.306 1.921 10 30 ADEEMO C=CC[N@@H+]1C[C@H]2COC[C@@]2(C)C1 661700190 409654156 /nfs/dbraw/zinc/65/41/56/409654156.db2.gz WZYFCBYZMUYIQB-VHSXEESVSA-N 1 1 167.252 1.141 10 30 ADEEMO C=C(CC)C[N@H+]1C[C@@H]2COC[C@]2(C)C1 661701755 409654372 /nfs/dbraw/zinc/65/43/72/409654372.db2.gz RGHPEVFJRSTGIS-NEPJUHHUSA-N 1 1 195.306 1.921 10 30 ADEEMO C=C(CC)C[N@H+]1C[C@@H]2COC[C@@]2(C)C1 661701760 409654423 /nfs/dbraw/zinc/65/44/23/409654423.db2.gz RGHPEVFJRSTGIS-VXGBXAGGSA-N 1 1 195.306 1.921 10 30 ADEEMO CC#CCC[N@H+]1C[C@H]2COC[C@]2(C)C1 661703871 409654830 /nfs/dbraw/zinc/65/48/30/409654830.db2.gz NDTJJUDMDXZQLF-RYUDHWBXSA-N 1 1 193.290 1.368 10 30 ADEEMO C=C(CC)C[N@H+]1C[C@H]2COC[C@@]2(C)C1 661701757 409655352 /nfs/dbraw/zinc/65/53/52/409655352.db2.gz RGHPEVFJRSTGIS-NWDGAFQWSA-N 1 1 195.306 1.921 10 30 ADEEMO C=C(C)CC[N@H+]1C[C@H]2COC[C@]2(C)C1 661698324 409655369 /nfs/dbraw/zinc/65/53/69/409655369.db2.gz AQLOCXWXEHSYGC-RYUDHWBXSA-N 1 1 195.306 1.921 10 30 ADEEMO CC#CCC[N@H+]1C[C@@H]2COC[C@@]2(C)C1 661703872 409655386 /nfs/dbraw/zinc/65/53/86/409655386.db2.gz NDTJJUDMDXZQLF-VXGBXAGGSA-N 1 1 193.290 1.368 10 30 ADEEMO C=CCCC[N@@H+]1C[C@@H]2COC[C@@]2(C)C1 661700415 409655647 /nfs/dbraw/zinc/65/56/47/409655647.db2.gz CQATUDPAFFONSQ-VXGBXAGGSA-N 1 1 195.306 1.921 10 30 ADEEMO C=C(C)C[N@H+]1C[C@@H]2COC[C@]2(C)C1 661698729 409655663 /nfs/dbraw/zinc/65/56/63/409655663.db2.gz SWYFWBBJUVYYHG-MNOVXSKESA-N 1 1 181.279 1.531 10 30 ADEEMO C=CCCC[N@@H+]1C[C@@H]2COC[C@]2(C)C1 661700412 409655755 /nfs/dbraw/zinc/65/57/55/409655755.db2.gz CQATUDPAFFONSQ-NEPJUHHUSA-N 1 1 195.306 1.921 10 30 ADEEMO C=CC[N@@H+]1C[C@H]2COC[C@]2(C)C1 661700188 409655788 /nfs/dbraw/zinc/65/57/88/409655788.db2.gz WZYFCBYZMUYIQB-UWVGGRQHSA-N 1 1 167.252 1.141 10 30 ADEEMO C=C(C)CC[N@H+]1C[C@@H]2COC[C@@]2(C)C1 661698325 409655820 /nfs/dbraw/zinc/65/58/20/409655820.db2.gz AQLOCXWXEHSYGC-VXGBXAGGSA-N 1 1 195.306 1.921 10 30 ADEEMO C=CCC[N@@H+]1C[C@@H]2COC[C@@]2(C)C1 661700371 409655836 /nfs/dbraw/zinc/65/58/36/409655836.db2.gz CIGYJQFSWRGCDA-GHMZBOCLSA-N 1 1 181.279 1.531 10 30 ADEEMO C=CCCC[N@@H+]1C[C@H]2COC[C@@]2(C)C1 661700413 409656029 /nfs/dbraw/zinc/65/60/29/409656029.db2.gz CQATUDPAFFONSQ-NWDGAFQWSA-N 1 1 195.306 1.921 10 30 ADEEMO C=CCC[N@@H+]1C[C@H]2COC[C@@]2(C)C1 661700377 409656172 /nfs/dbraw/zinc/65/61/72/409656172.db2.gz CIGYJQFSWRGCDA-WDEREUQCSA-N 1 1 181.279 1.531 10 30 ADEEMO C=CC[N@H+](CCO)C(C)(C)C 661756237 409657258 /nfs/dbraw/zinc/65/72/58/409657258.db2.gz HATPUYLXLQVAQL-UHFFFAOYSA-N 1 1 157.257 1.265 10 30 ADEEMO CCC#C[C@@H](C)[N@H+]1CC[C@@]2(O)C[C@H]2C1 661722467 409658179 /nfs/dbraw/zinc/65/81/79/409658179.db2.gz IBUQTNOHYLYGCJ-GRYCIOLGSA-N 1 1 193.290 1.245 10 30 ADEEMO C=CC[N@H+](CC(=O)N(C)C)C(C)(C)C 661754803 409658434 /nfs/dbraw/zinc/65/84/34/409658434.db2.gz BPDVBIGUYZWMBP-UHFFFAOYSA-N 1 1 198.310 1.361 10 30 ADEEMO C=CC[N@H+](CCCO)C(C)(C)C 661754910 409659093 /nfs/dbraw/zinc/65/90/93/409659093.db2.gz GTWIHBMYVFMCJW-UHFFFAOYSA-N 1 1 171.284 1.655 10 30 ADEEMO C=CCC[N@H+]1CC[C@@]2(O)C[C@H]2C1 661716737 409659382 /nfs/dbraw/zinc/65/93/82/409659382.db2.gz CEPZZCYNUWNLLR-VHSXEESVSA-N 1 1 167.252 1.019 10 30 ADEEMO C=C(C)C[N@H+]1CC[C@@]2(O)C[C@H]2C1 661712064 409659409 /nfs/dbraw/zinc/65/94/09/409659409.db2.gz KNAMJYBSQBHYCF-VHSXEESVSA-N 1 1 167.252 1.019 10 30 ADEEMO C=CCCCC[N@H+]1CC[C@@]2(O)C[C@H]2C1 661719522 409659492 /nfs/dbraw/zinc/65/94/92/409659492.db2.gz CTOWGJZCAYEDTD-NWDGAFQWSA-N 1 1 195.306 1.799 10 30 ADEEMO CCC#C[C@H](C)[N@H+]1CC[C@@]2(O)C[C@H]2C1 661722468 409659572 /nfs/dbraw/zinc/65/95/72/409659572.db2.gz IBUQTNOHYLYGCJ-SDDRHHMPSA-N 1 1 193.290 1.245 10 30 ADEEMO C=C(CC)C[N@H+]1CC[C@@]2(O)C[C@H]2C1 661722970 409659765 /nfs/dbraw/zinc/65/97/65/409659765.db2.gz PVGMGCAIKRIBGP-WDEREUQCSA-N 1 1 181.279 1.409 10 30 ADEEMO C=C(C)CC[N@H+]1CC[C@@]2(O)C[C@H]2C1 661723613 409660136 /nfs/dbraw/zinc/66/01/36/409660136.db2.gz QLOMZLCUQOHODO-WDEREUQCSA-N 1 1 181.279 1.409 10 30 ADEEMO C=CCCC[N@H+]1CC[C@@]2(O)C[C@H]2C1 661716575 409660511 /nfs/dbraw/zinc/66/05/11/409660511.db2.gz WKVCCKCHGIEAEC-WDEREUQCSA-N 1 1 181.279 1.409 10 30 ADEEMO C=C(C)[C@H](CO)[N@@H+]1C[C@H](C)[C@H]1C 307637174 409661220 /nfs/dbraw/zinc/66/12/20/409661220.db2.gz YBLDWSDQSFNRLU-AEJSXWLSSA-N 1 1 169.268 1.264 10 30 ADEEMO C=CC[N@H+](C[C@H](C)O)C(C)(C)C 661757032 409662026 /nfs/dbraw/zinc/66/20/26/409662026.db2.gz CKHGDYHFTSKXEK-VIFPVBQESA-N 1 1 171.284 1.654 10 30 ADEEMO C=C(C)[C@H](CO)[N@@H+]1C[C@@H](C)[C@H]1C 307637175 409662243 /nfs/dbraw/zinc/66/22/43/409662243.db2.gz YBLDWSDQSFNRLU-BBBLOLIVSA-N 1 1 169.268 1.264 10 30 ADEEMO C=C(C)[C@H](CO)[N@@H+]1C[C@@H](C)[C@@H]1C 307637177 409662497 /nfs/dbraw/zinc/66/24/97/409662497.db2.gz YBLDWSDQSFNRLU-UTLUCORTSA-N 1 1 169.268 1.264 10 30 ADEEMO C=CCC[N@@H+]1CCC[C@@H]1[C@H](C)O 661766946 409662619 /nfs/dbraw/zinc/66/26/19/409662619.db2.gz HMJRBEGGVRMFSD-VHSXEESVSA-N 1 1 169.268 1.408 10 30 ADEEMO C=CCC[N@@H+]1CCC[C@@H]1[C@@H](C)O 661766943 409662933 /nfs/dbraw/zinc/66/29/33/409662933.db2.gz HMJRBEGGVRMFSD-NXEZZACHSA-N 1 1 169.268 1.408 10 30 ADEEMO C=CC[N@@H+]1CCC[C@@H]1[C@@H](C)O 661770340 409663074 /nfs/dbraw/zinc/66/30/74/409663074.db2.gz BJXXXKNDZNMEGX-RKDXNWHRSA-N 1 1 155.241 1.018 10 30 ADEEMO C=CC[N@@H+]1CCC[C@@H]1[C@H](C)O 661770339 409663247 /nfs/dbraw/zinc/66/32/47/409663247.db2.gz BJXXXKNDZNMEGX-DTWKUNHWSA-N 1 1 155.241 1.018 10 30 ADEEMO C=C(C)CC[N@@H+]1CCC[C@@H]1[C@H](C)O 661764664 409663347 /nfs/dbraw/zinc/66/33/47/409663347.db2.gz INGOIYWYNLCIRZ-WDEREUQCSA-N 1 1 183.295 1.798 10 30 ADEEMO C=C(C)[C@H](CO)[N@@H+]1C[C@H](C)[C@@H]1C 307637176 409663408 /nfs/dbraw/zinc/66/34/08/409663408.db2.gz YBLDWSDQSFNRLU-GUBZILKMSA-N 1 1 169.268 1.264 10 30 ADEEMO C=CC[N@H+](CC#CCOC)C(C)(C)C 661757002 409663777 /nfs/dbraw/zinc/66/37/77/409663777.db2.gz AYZORDPCMIROEM-UHFFFAOYSA-N 1 1 195.306 1.923 10 30 ADEEMO C=CC[N@H+](C[C@@H](C)O)C(C)(C)C 661757030 409663896 /nfs/dbraw/zinc/66/38/96/409663896.db2.gz CKHGDYHFTSKXEK-SECBINFHSA-N 1 1 171.284 1.654 10 30 ADEEMO C=C(C)CC[N@H+]1CCC(=O)N(C)CC1 661805514 409664288 /nfs/dbraw/zinc/66/42/88/409664288.db2.gz LHCVEOLXXUURCJ-UHFFFAOYSA-N 1 1 196.294 1.117 10 30 ADEEMO C=C(C)CC[N@@H+]1CCC[C@@H]1[C@@H](C)O 661764663 409664387 /nfs/dbraw/zinc/66/43/87/409664387.db2.gz INGOIYWYNLCIRZ-GHMZBOCLSA-N 1 1 183.295 1.798 10 30 ADEEMO C=C(C)C[N@@H+]1CC[C@@H]1COC 307675702 409664750 /nfs/dbraw/zinc/66/47/50/409664750.db2.gz GQMSVSWXFSGGBG-SECBINFHSA-N 1 1 155.241 1.283 10 30 ADEEMO C=C(C)C[N@@H+]1CC[C@H]1COC 307675703 409664884 /nfs/dbraw/zinc/66/48/84/409664884.db2.gz GQMSVSWXFSGGBG-VIFPVBQESA-N 1 1 155.241 1.283 10 30 ADEEMO C=CC[N@H+](C)[C@@H](C)C(C)(C)O 307673368 409665042 /nfs/dbraw/zinc/66/50/42/409665042.db2.gz BCPVDKDMTLVTIH-QMMMGPOBSA-N 1 1 157.257 1.264 10 30 ADEEMO C=CC[N@H+](C)[C@H](C)C(C)(C)O 307673365 409665076 /nfs/dbraw/zinc/66/50/76/409665076.db2.gz BCPVDKDMTLVTIH-MRVPVSSYSA-N 1 1 157.257 1.264 10 30 ADEEMO C=CCCC[N@H+]1CCC(=O)N(C)CC1 661811220 409665537 /nfs/dbraw/zinc/66/55/37/409665537.db2.gz HIXTUOFVEMKKFB-UHFFFAOYSA-N 1 1 196.294 1.117 10 30 ADEEMO CC#CC[N@H+]1CC[C@@H](C)O[C@@H](C)C1 661855224 409666718 /nfs/dbraw/zinc/66/67/18/409666718.db2.gz AFQALRKERKGAAG-MNOVXSKESA-N 1 1 181.279 1.509 10 30 ADEEMO CC#CCC[N@H+]1CC[C@@H](C)O[C@@H](C)C1 661855284 409667332 /nfs/dbraw/zinc/66/73/32/409667332.db2.gz AXLOTVWXKRVYHE-NEPJUHHUSA-N 1 1 195.306 1.899 10 30 ADEEMO C=CC[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 661858731 409669794 /nfs/dbraw/zinc/66/97/94/409669794.db2.gz KYSSWCMKOVKLAN-ZJUUUORDSA-N 1 1 169.268 1.672 10 30 ADEEMO C=CC[N@H+](C)C(C)(C)COC 307917409 409672097 /nfs/dbraw/zinc/67/20/97/409672097.db2.gz BVFDBHWAFUZVIR-UHFFFAOYSA-N 1 1 157.257 1.529 10 30 ADEEMO C=CCC[N@H+]1CC[C@H]2COC[C@H]2C1 662028715 409681727 /nfs/dbraw/zinc/68/17/27/409681727.db2.gz AZDYNPNZTIYEOC-WDEREUQCSA-N 1 1 181.279 1.531 10 30 ADEEMO C=C(C)[C@H](CO)[N@H+]1CC[C@@H]2C[C@@H]2C1 661969531 409674793 /nfs/dbraw/zinc/67/47/93/409674793.db2.gz JQRYYNJBRMZYJS-MXWKQRLJSA-N 1 1 181.279 1.265 10 30 ADEEMO C=C(C)[C@H](CO)[N@H+]1CC[C@H]2C[C@H]2C1 661969517 409675699 /nfs/dbraw/zinc/67/56/99/409675699.db2.gz JQRYYNJBRMZYJS-DCAQKATOSA-N 1 1 181.279 1.265 10 30 ADEEMO C=CCC[N@H+](CC)[C@H]1CCOC1 308047175 409679809 /nfs/dbraw/zinc/67/98/09/409679809.db2.gz PXKLMNFIKJHAJK-JTQLQIEISA-N 1 1 169.268 1.673 10 30 ADEEMO C=CCC[N@H+](CC)[C@@H]1CCOC1 308047176 409680666 /nfs/dbraw/zinc/68/06/66/409680666.db2.gz PXKLMNFIKJHAJK-SNVBAGLBSA-N 1 1 169.268 1.673 10 30 ADEEMO C=CCCC[N@H+]1CC[C@@H]2COC[C@H]2C1 662036821 409680819 /nfs/dbraw/zinc/68/08/19/409680819.db2.gz PZZYIGPICCEXNR-VXGBXAGGSA-N 1 1 195.306 1.921 10 30 ADEEMO C=CCC[N@H+]1CC[C@H]2COC[C@@H]2C1 662028714 409680966 /nfs/dbraw/zinc/68/09/66/409680966.db2.gz AZDYNPNZTIYEOC-QWRGUYRKSA-N 1 1 181.279 1.531 10 30 ADEEMO CC#CCC[N@H+]1CC[C@@H]2COC[C@H]2C1 662037761 409681080 /nfs/dbraw/zinc/68/10/80/409681080.db2.gz UVQWDYWSSAYVRP-VXGBXAGGSA-N 1 1 193.290 1.368 10 30 ADEEMO C=C(C)C[N@H+]1CC[C@H]2COC[C@H]2C1 662032953 409681180 /nfs/dbraw/zinc/68/11/80/409681180.db2.gz GRSRTRXRJXZGAC-WDEREUQCSA-N 1 1 181.279 1.531 10 30 ADEEMO C=C(C)CC[N@H+]1CC[C@@H]2COC[C@H]2C1 662033560 409681291 /nfs/dbraw/zinc/68/12/91/409681291.db2.gz KJUWTRNMXHPRDP-VXGBXAGGSA-N 1 1 195.306 1.921 10 30 ADEEMO C=CC[N@H+]1CC[C@H]2COC[C@H]2C1 662040752 409681330 /nfs/dbraw/zinc/68/13/30/409681330.db2.gz YSOQRQOAGMQHET-VHSXEESVSA-N 1 1 167.252 1.141 10 30 ADEEMO C=C(CC)C[N@H+]1CC[C@@H]2COC[C@H]2C1 662033481 409681566 /nfs/dbraw/zinc/68/15/66/409681566.db2.gz KERUYEIIJHFQGB-VXGBXAGGSA-N 1 1 195.306 1.921 10 30 ADEEMO C=C(C)CC[N@H+]1CC[C@H]2COC[C@H]2C1 662033556 409681691 /nfs/dbraw/zinc/68/16/91/409681691.db2.gz KJUWTRNMXHPRDP-NWDGAFQWSA-N 1 1 195.306 1.921 10 30 ADEEMO C=CCCC[N@H+]1CC[C@H]2COC[C@H]2C1 662036819 409681714 /nfs/dbraw/zinc/68/17/14/409681714.db2.gz PZZYIGPICCEXNR-NWDGAFQWSA-N 1 1 195.306 1.921 10 30 ADEEMO C=C(C)C[N@H+]1CC[C@@H]2COC[C@H]2C1 662032948 409681772 /nfs/dbraw/zinc/68/17/72/409681772.db2.gz GRSRTRXRJXZGAC-GHMZBOCLSA-N 1 1 181.279 1.531 10 30 ADEEMO C=CC[N@H+]1CC[C@@H]2COC[C@H]2C1 662040750 409681819 /nfs/dbraw/zinc/68/18/19/409681819.db2.gz YSOQRQOAGMQHET-NXEZZACHSA-N 1 1 167.252 1.141 10 30 ADEEMO C=C(C)C[N@H+]1CC[C@H]2COC[C@@H]2C1 662032951 409681887 /nfs/dbraw/zinc/68/18/87/409681887.db2.gz GRSRTRXRJXZGAC-QWRGUYRKSA-N 1 1 181.279 1.531 10 30 ADEEMO C=CCC[N@H+]1CC[C@@H]2COC[C@@H]2C1 662028713 409681978 /nfs/dbraw/zinc/68/19/78/409681978.db2.gz AZDYNPNZTIYEOC-MNOVXSKESA-N 1 1 181.279 1.531 10 30 ADEEMO CC#CCC[N@H+]1CC[C@H]2COC[C@@H]2C1 662037759 409682026 /nfs/dbraw/zinc/68/20/26/409682026.db2.gz UVQWDYWSSAYVRP-RYUDHWBXSA-N 1 1 193.290 1.368 10 30 ADEEMO C=CC[N@H+]1CC[C@H]2COC[C@@H]2C1 662040751 409682144 /nfs/dbraw/zinc/68/21/44/409682144.db2.gz YSOQRQOAGMQHET-UWVGGRQHSA-N 1 1 167.252 1.141 10 30 ADEEMO C=CCC[N@H+]1CC[C@@H]2COC[C@H]2C1 662028712 409682158 /nfs/dbraw/zinc/68/21/58/409682158.db2.gz AZDYNPNZTIYEOC-GHMZBOCLSA-N 1 1 181.279 1.531 10 30 ADEEMO C=C(C)CC[N@H+]1CC[C@@H]2COC[C@@H]2C1 662033554 409682552 /nfs/dbraw/zinc/68/25/52/409682552.db2.gz KJUWTRNMXHPRDP-NEPJUHHUSA-N 1 1 195.306 1.921 10 30 ADEEMO C=C(C)C[N@H+]1CC[C@@H]2COC[C@@H]2C1 662032950 409682758 /nfs/dbraw/zinc/68/27/58/409682758.db2.gz GRSRTRXRJXZGAC-MNOVXSKESA-N 1 1 181.279 1.531 10 30 ADEEMO C=C(CC)C[N@H+]1CC[C@H]2COC[C@@H]2C1 662033479 409683188 /nfs/dbraw/zinc/68/31/88/409683188.db2.gz KERUYEIIJHFQGB-RYUDHWBXSA-N 1 1 195.306 1.921 10 30 ADEEMO CC#CCC[N@H+]1CC[C@@H]2COC[C@@H]2C1 662037755 409683283 /nfs/dbraw/zinc/68/32/83/409683283.db2.gz UVQWDYWSSAYVRP-NEPJUHHUSA-N 1 1 193.290 1.368 10 30 ADEEMO C=CCCC[N@H+]1CC[C@H]2COC[C@@H]2C1 662036820 409683297 /nfs/dbraw/zinc/68/32/97/409683297.db2.gz PZZYIGPICCEXNR-RYUDHWBXSA-N 1 1 195.306 1.921 10 30 ADEEMO C=C(CC)C[N@H+]1CC[C@H]2COC[C@H]2C1 662033478 409683393 /nfs/dbraw/zinc/68/33/93/409683393.db2.gz KERUYEIIJHFQGB-NWDGAFQWSA-N 1 1 195.306 1.921 10 30 ADEEMO CC#CCC[N@H+]1CC[C@H]2COC[C@H]2C1 662037757 409683472 /nfs/dbraw/zinc/68/34/72/409683472.db2.gz UVQWDYWSSAYVRP-NWDGAFQWSA-N 1 1 193.290 1.368 10 30 ADEEMO C=C(C)CC[N@H+]1CC[C@H]2COC[C@@H]2C1 662033558 409683489 /nfs/dbraw/zinc/68/34/89/409683489.db2.gz KJUWTRNMXHPRDP-RYUDHWBXSA-N 1 1 195.306 1.921 10 30 ADEEMO C=CCCC[N@H+]1CC[C@@H]2COC[C@@H]2C1 662036818 409683508 /nfs/dbraw/zinc/68/35/08/409683508.db2.gz PZZYIGPICCEXNR-NEPJUHHUSA-N 1 1 195.306 1.921 10 30 ADEEMO C=C(CC)C[N@H+]1CC[C@@H]2COC[C@@H]2C1 662033476 409683594 /nfs/dbraw/zinc/68/35/94/409683594.db2.gz KERUYEIIJHFQGB-NEPJUHHUSA-N 1 1 195.306 1.921 10 30 ADEEMO C=C(CC)C[N@H+]1CCC2(COC2)C1 662073249 409686359 /nfs/dbraw/zinc/68/63/59/409686359.db2.gz GKZUOENLXHATOQ-UHFFFAOYSA-N 1 1 181.279 1.675 10 30 ADEEMO C=CC[N@H+]1CC[C@@H]2COC[C@@H]2C1 662040754 409684762 /nfs/dbraw/zinc/68/47/62/409684762.db2.gz YSOQRQOAGMQHET-ZJUUUORDSA-N 1 1 167.252 1.141 10 30 ADEEMO C=CCC[N@H+]1CCC2(COC2)C1 662074784 409685792 /nfs/dbraw/zinc/68/57/92/409685792.db2.gz SAZILGCDANNXHN-UHFFFAOYSA-N 1 1 167.252 1.285 10 30 ADEEMO CC#CCC[N@H+]1CCC2(COC2)C1 662073945 409685819 /nfs/dbraw/zinc/68/58/19/409685819.db2.gz XBQOYMMWISHTMP-UHFFFAOYSA-N 1 1 179.263 1.122 10 30 ADEEMO CCC#C[C@H](C)[N@H+]1CCC2(COC2)C1 662074489 409686426 /nfs/dbraw/zinc/68/64/26/409686426.db2.gz WXPQESCTCOIXIR-NSHDSACASA-N 1 1 193.290 1.511 10 30 ADEEMO C=C1C[C@@H]2CC[C@H](C1)[N@H+]2[C@@H]1CCOC1 662089912 409688790 /nfs/dbraw/zinc/68/87/90/409688790.db2.gz HHYBUDCJARBMIO-GRYCIOLGSA-N 1 1 193.290 1.958 10 30 ADEEMO C=C(C)C[N@H+]1CCC2(COC2)C1 662074080 409686598 /nfs/dbraw/zinc/68/65/98/409686598.db2.gz BLPRIZHNFJLTHP-UHFFFAOYSA-N 1 1 167.252 1.285 10 30 ADEEMO CCC#C[C@@H](C)[N@H+]1CCC2(COC2)C1 662074487 409686628 /nfs/dbraw/zinc/68/66/28/409686628.db2.gz WXPQESCTCOIXIR-LLVKDONJSA-N 1 1 193.290 1.511 10 30 ADEEMO C=C1C[C@@H]2CC[C@H](C1)[N@H+]2CCCO 662082944 409688716 /nfs/dbraw/zinc/68/87/16/409688716.db2.gz YPFMAZYBHUTPOZ-PHIMTYICSA-N 1 1 181.279 1.552 10 30 ADEEMO C=C(C)C[N@@H+]1CCc2nccnc2C1 662124059 409688731 /nfs/dbraw/zinc/68/87/31/409688731.db2.gz HFZYVIXIAJYSJG-UHFFFAOYSA-N 1 1 189.262 1.411 10 30 ADEEMO C=C(C)C[N@H+]1CCc2nccnc2C1 662124059 409688739 /nfs/dbraw/zinc/68/87/39/409688739.db2.gz HFZYVIXIAJYSJG-UHFFFAOYSA-N 1 1 189.262 1.411 10 30 ADEEMO C=C1C[C@@H]2CC[C@H](C1)[N@H+]2C[C@H](C)O 662089222 409688927 /nfs/dbraw/zinc/68/89/27/409688927.db2.gz VAHSQUMYJTUBOU-GARJFASQSA-N 1 1 181.279 1.550 10 30 ADEEMO C=C1C[C@@H]2CC[C@H](C1)[N@H+]2CC[C@H](C)O 662090131 409688965 /nfs/dbraw/zinc/68/89/65/409688965.db2.gz KDOCGQHQKBRVGV-SDDRHHMPSA-N 1 1 195.306 1.940 10 30 ADEEMO C=C1C[C@@H]2CC[C@H](C1)[N@H+]2[C@H]1CCOC1 662089913 409688980 /nfs/dbraw/zinc/68/89/80/409688980.db2.gz HHYBUDCJARBMIO-TUAOUCFPSA-N 1 1 193.290 1.958 10 30 ADEEMO C=CCCC[N@H+]1CCC2(COC2)C1 662075876 409689310 /nfs/dbraw/zinc/68/93/10/409689310.db2.gz NCSUXZZGTWEQSL-UHFFFAOYSA-N 1 1 181.279 1.675 10 30 ADEEMO C=C1C[C@@H]2CC[C@H](C1)[N@H+]2CCO 662084467 409689424 /nfs/dbraw/zinc/68/94/24/409689424.db2.gz RRKZQCJSSRZOGZ-AOOOYVTPSA-N 1 1 167.252 1.162 10 30 ADEEMO C=C1C[C@@H]2CC[C@H](C1)[N@H+]2[C@H](C)C(N)=O 662081825 409689431 /nfs/dbraw/zinc/68/94/31/409689431.db2.gz SGQDJIPOTNONFE-BBBLOLIVSA-N 1 1 194.278 1.043 10 30 ADEEMO C=C1C[C@@H]2CC[C@H](C1)[N@H+]2C[C@@H](O)CC 662083710 409689869 /nfs/dbraw/zinc/68/98/69/409689869.db2.gz JBLAZBLWYFWIRQ-TUAOUCFPSA-N 1 1 195.306 1.940 10 30 ADEEMO C=C1C[C@@H]2CC[C@H](C1)[N@H+]2CCCCO 662084944 409689886 /nfs/dbraw/zinc/68/98/86/409689886.db2.gz YGDMUEFUYCYKRM-TXEJJXNPSA-N 1 1 195.306 1.942 10 30 ADEEMO C=C1C[C@@H]2CC[C@H](C1)[N@H+]2C[C@H](C)CO 662090809 409689983 /nfs/dbraw/zinc/68/99/83/409689983.db2.gz SHWIAARWRMFDSI-SDDRHHMPSA-N 1 1 195.306 1.798 10 30 ADEEMO C=CCC[N@H+]1CCc2nccnc2C1 662119078 409690034 /nfs/dbraw/zinc/69/00/34/409690034.db2.gz JYVOTQGOGSBQJC-UHFFFAOYSA-N 1 1 189.262 1.411 10 30 ADEEMO C=C1C[C@@H]2CC[C@H](C1)[N@H+]2[C@@H](C)C(N)=O 662081829 409690098 /nfs/dbraw/zinc/69/00/98/409690098.db2.gz SGQDJIPOTNONFE-LPEHRKFASA-N 1 1 194.278 1.043 10 30 ADEEMO C=C1C[C@@H]2CC[C@H](C1)[N@H+]2C[C@@H](C)O 662089223 409690302 /nfs/dbraw/zinc/69/03/02/409690302.db2.gz VAHSQUMYJTUBOU-MXWKQRLJSA-N 1 1 181.279 1.550 10 30 ADEEMO C=C(C)CC[N@H+]1CCC2(COC2)C1 662075164 409690324 /nfs/dbraw/zinc/69/03/24/409690324.db2.gz ZCFQFJQRGJJYSC-UHFFFAOYSA-N 1 1 181.279 1.675 10 30 ADEEMO C=C1C[C@@H]2CC[C@H](C1)[N@H+]2CC(C)(C)O 662084533 409690369 /nfs/dbraw/zinc/69/03/69/409690369.db2.gz SLALCBYSIYACTE-PHIMTYICSA-N 1 1 195.306 1.940 10 30 ADEEMO C=C1C[C@@H]2CC[C@H](C1)[N@H+]2CCOC 662082087 409690403 /nfs/dbraw/zinc/69/04/03/409690403.db2.gz XOGBTFWCERNVLG-PHIMTYICSA-N 1 1 181.279 1.816 10 30 ADEEMO C=C1C[C@@H]2CC[C@H](C1)[N@H+]2CC[C@@H](C)O 662090132 409691013 /nfs/dbraw/zinc/69/10/13/409691013.db2.gz KDOCGQHQKBRVGV-UTUOFQBUSA-N 1 1 195.306 1.940 10 30 ADEEMO C=C1C[C@@H]2CC[C@H](C1)[N@H+]2C[C@H](O)CC 662083708 409691154 /nfs/dbraw/zinc/69/11/54/409691154.db2.gz JBLAZBLWYFWIRQ-GRYCIOLGSA-N 1 1 195.306 1.940 10 30 ADEEMO C=C1C[C@@H]2CC[C@H](C1)[N@H+]2C[C@@H](C)CO 662090810 409691196 /nfs/dbraw/zinc/69/11/96/409691196.db2.gz SHWIAARWRMFDSI-UTUOFQBUSA-N 1 1 195.306 1.798 10 30 ADEEMO C=C(C)CC[N@@H+]1C[C@H](C)[C@](C)(CO)C1 662147535 409693183 /nfs/dbraw/zinc/69/31/83/409693183.db2.gz WPNAMPQQFRCWHH-RYUDHWBXSA-N 1 1 197.322 1.903 10 30 ADEEMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@](C)(CO)C1 662147533 409694124 /nfs/dbraw/zinc/69/41/24/409694124.db2.gz WPNAMPQQFRCWHH-NEPJUHHUSA-N 1 1 197.322 1.903 10 30 ADEEMO C=C(C)CC[N@@H+]1C[C@H](C)[C@@](C)(CO)C1 662147534 409695079 /nfs/dbraw/zinc/69/50/79/409695079.db2.gz WPNAMPQQFRCWHH-NWDGAFQWSA-N 1 1 197.322 1.903 10 30 ADEEMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@@](C)(CO)C1 662147536 409695561 /nfs/dbraw/zinc/69/55/61/409695561.db2.gz WPNAMPQQFRCWHH-VXGBXAGGSA-N 1 1 197.322 1.903 10 30 ADEEMO CC#CCNC(C)(C)C[N@H+](C)CCC 662175095 409698714 /nfs/dbraw/zinc/69/87/14/409698714.db2.gz JOFKZOSVGIDCKU-UHFFFAOYSA-N 1 1 196.338 1.720 10 30 ADEEMO CC#CC[NH2+]C(C)(C)CN(C)CCC 662175095 409698720 /nfs/dbraw/zinc/69/87/20/409698720.db2.gz JOFKZOSVGIDCKU-UHFFFAOYSA-N 1 1 196.338 1.720 10 30 ADEEMO C=CCNC(C)(C)C[N@@H+](C)CCC 662173582 409698740 /nfs/dbraw/zinc/69/87/40/409698740.db2.gz LHEGZXHMKGFNEM-UHFFFAOYSA-N 1 1 184.327 1.882 10 30 ADEEMO C=CCNC(C)(C)C[N@H+](C)CCC 662173582 409698744 /nfs/dbraw/zinc/69/87/44/409698744.db2.gz LHEGZXHMKGFNEM-UHFFFAOYSA-N 1 1 184.327 1.882 10 30 ADEEMO C=CCCC[N@H+]1CC[C@@H](F)[C@H](N)C1 662320423 409716235 /nfs/dbraw/zinc/71/62/35/409716235.db2.gz AQJAWQSEGCAGAQ-NXEZZACHSA-N 1 1 186.274 1.324 10 30 ADEEMO C=CCCCN1CC[C@@H](F)[C@H]([NH3+])C1 662320423 409716244 /nfs/dbraw/zinc/71/62/44/409716244.db2.gz AQJAWQSEGCAGAQ-NXEZZACHSA-N 1 1 186.274 1.324 10 30 ADEEMO C=CCCC[N@H+]1CC2CC1(CN)C2 662307703 409716327 /nfs/dbraw/zinc/71/63/27/409716327.db2.gz POSCMPXUYRIINC-UHFFFAOYSA-N 1 1 180.295 1.376 10 30 ADEEMO C=CCCC[N@@H+]1CC2CC1(CN)C2 662307703 409716337 /nfs/dbraw/zinc/71/63/37/409716337.db2.gz POSCMPXUYRIINC-UHFFFAOYSA-N 1 1 180.295 1.376 10 30 ADEEMO C=CCC[C@H](O)C[N@@H+]1CC[C@@H]1CC 308394732 409718778 /nfs/dbraw/zinc/71/87/78/409718778.db2.gz COKHQLFXBGUXPQ-QWRGUYRKSA-N 1 1 183.295 1.798 10 30 ADEEMO C=CCC[C@H](O)C[N@@H+]1CC[C@H]1CC 308394725 409719436 /nfs/dbraw/zinc/71/94/36/409719436.db2.gz COKHQLFXBGUXPQ-MNOVXSKESA-N 1 1 183.295 1.798 10 30 ADEEMO C=CCC[C@@H](O)C[N@@H+]1CC[C@H]1CC 308394721 409719533 /nfs/dbraw/zinc/71/95/33/409719533.db2.gz COKHQLFXBGUXPQ-GHMZBOCLSA-N 1 1 183.295 1.798 10 30 ADEEMO CC#CC[N@@H+](C)C[C@H]1CC1(C)C 662343626 409720539 /nfs/dbraw/zinc/72/05/39/409720539.db2.gz AXYXRCJFHPSZQH-SNVBAGLBSA-N 1 1 165.280 1.988 10 30 ADEEMO C=CCC[C@@H](O)C[N@@H+]1CC[C@@H]1CC 308394738 409720648 /nfs/dbraw/zinc/72/06/48/409720648.db2.gz COKHQLFXBGUXPQ-WDEREUQCSA-N 1 1 183.295 1.798 10 30 ADEEMO CC#CC[N@@H+](C)C[C@@H]1CC1(C)C 662343625 409721423 /nfs/dbraw/zinc/72/14/23/409721423.db2.gz AXYXRCJFHPSZQH-JTQLQIEISA-N 1 1 165.280 1.988 10 30 ADEEMO C=CCOCC[N@@H+]1CC2CC1(C)C2 662385110 409726063 /nfs/dbraw/zinc/72/60/63/409726063.db2.gz JOEKYQGOYXFTCH-UHFFFAOYSA-N 1 1 181.279 1.673 10 30 ADEEMO C=CCC[C@@H](O)C[N@@H+]1CC2CC1(C)C2 662383906 409726690 /nfs/dbraw/zinc/72/66/90/409726690.db2.gz QDSHEGSWBWWYDY-MOENNCHZSA-N 1 1 195.306 1.798 10 30 ADEEMO COCC#CC[N@H+]1CC2CC1(C)C2 662384952 409729013 /nfs/dbraw/zinc/72/90/13/409729013.db2.gz CLVUSYXSYRZCPY-UHFFFAOYSA-N 1 1 179.263 1.121 10 30 ADEEMO C=CCC[C@H](O)C[N@@H+]1CC2CC1(C)C2 662383705 409729242 /nfs/dbraw/zinc/72/92/42/409729242.db2.gz QDSHEGSWBWWYDY-CXQJBGSLSA-N 1 1 195.306 1.798 10 30 ADEEMO CC#CC[N@H+]1CC2CC1(C)C2 662383937 409729379 /nfs/dbraw/zinc/72/93/79/409729379.db2.gz RUJBFFJNEMBYOY-UHFFFAOYSA-N 1 1 149.237 1.494 10 30 ADEEMO C=CCOCC[N@@H+]1CCC(=O)[C@H](C)C1 308552902 409732640 /nfs/dbraw/zinc/73/26/40/409732640.db2.gz QXSNQOQQVTZLOI-SNVBAGLBSA-N 1 1 197.278 1.100 10 30 ADEEMO C=CCOCC[N@H+]1CCC(=O)[C@H](C)C1 308552902 409732648 /nfs/dbraw/zinc/73/26/48/409732648.db2.gz QXSNQOQQVTZLOI-SNVBAGLBSA-N 1 1 197.278 1.100 10 30 ADEEMO C=CCOCC[N@@H+]1CCC(=O)[C@@H](C)C1 308552900 409733012 /nfs/dbraw/zinc/73/30/12/409733012.db2.gz QXSNQOQQVTZLOI-JTQLQIEISA-N 1 1 197.278 1.100 10 30 ADEEMO C=CCOCC[N@H+]1CCC(=O)[C@@H](C)C1 308552900 409733015 /nfs/dbraw/zinc/73/30/15/409733015.db2.gz QXSNQOQQVTZLOI-JTQLQIEISA-N 1 1 197.278 1.100 10 30 ADEEMO C=CCNC(C)(C)C[NH+]1CCCC1 308634910 409744776 /nfs/dbraw/zinc/74/47/76/409744776.db2.gz MBESORWWTJCBGJ-UHFFFAOYSA-N 1 1 182.311 1.636 10 30 ADEEMO CC#CC[NH2+]C(C)(C)CN1CCCC1 308634287 409745075 /nfs/dbraw/zinc/74/50/75/409745075.db2.gz LLOOKYKCWYRPLZ-UHFFFAOYSA-N 1 1 194.322 1.474 10 30 ADEEMO C=CCC(C)(C)CN[C@H]1CC[NH2+]C1 310587578 409773197 /nfs/dbraw/zinc/77/31/97/409773197.db2.gz WNYXKVQMKOKZAM-JTQLQIEISA-N 1 1 182.311 1.540 10 30 ADEEMO C=CCC(C)(C)CN[C@@H]1CC[NH2+]C1 310587579 409775796 /nfs/dbraw/zinc/77/57/96/409775796.db2.gz WNYXKVQMKOKZAM-SNVBAGLBSA-N 1 1 182.311 1.540 10 30 ADEEMO C=C(CC)C[NH2+]Cc1cocn1 313505634 409781055 /nfs/dbraw/zinc/78/10/55/409781055.db2.gz YSUOPYQVDAEYOK-UHFFFAOYSA-N 1 1 166.224 1.730 10 30 ADEEMO C=CCC[C@H](C)NCC12CC(C[NH2+]1)C2 663497314 409785092 /nfs/dbraw/zinc/78/50/92/409785092.db2.gz DNVWWVCUSXFKJR-UNXYVOJBSA-N 1 1 194.322 1.683 10 30 ADEEMO C=CCC[C@@H](C)NCC12CC(C[NH2+]1)C2 663497315 409785507 /nfs/dbraw/zinc/78/55/07/409785507.db2.gz DNVWWVCUSXFKJR-VOMCLLRMSA-N 1 1 194.322 1.683 10 30 ADEEMO C[C@H]1C[N@H+]([C@@H](C)CCC#N)CCC1=O 663905636 409797466 /nfs/dbraw/zinc/79/74/66/409797466.db2.gz IBMYQSUOROPPEL-UWVGGRQHSA-N 1 1 194.278 1.590 10 30 ADEEMO C[C@H]1C[N@@H+]([C@@H](C)CCC#N)CCC1=O 663905636 409797473 /nfs/dbraw/zinc/79/74/73/409797473.db2.gz IBMYQSUOROPPEL-UWVGGRQHSA-N 1 1 194.278 1.590 10 30 ADEEMO C[C@@H](CCC#N)[N@@H+]1CCC(=O)[C@H](C)C1 663905646 409798359 /nfs/dbraw/zinc/79/83/59/409798359.db2.gz IBMYQSUOROPPEL-ZJUUUORDSA-N 1 1 194.278 1.590 10 30 ADEEMO C[C@@H](CCC#N)[N@H+]1CCC(=O)[C@H](C)C1 663905646 409798365 /nfs/dbraw/zinc/79/83/65/409798365.db2.gz IBMYQSUOROPPEL-ZJUUUORDSA-N 1 1 194.278 1.590 10 30 ADEEMO C[C@@H]1C[N@H+]([C@H](C)CCC#N)CCC1=O 663905632 409798589 /nfs/dbraw/zinc/79/85/89/409798589.db2.gz IBMYQSUOROPPEL-NXEZZACHSA-N 1 1 194.278 1.590 10 30 ADEEMO C[C@@H]1C[N@@H+]([C@H](C)CCC#N)CCC1=O 663905632 409798593 /nfs/dbraw/zinc/79/85/93/409798593.db2.gz IBMYQSUOROPPEL-NXEZZACHSA-N 1 1 194.278 1.590 10 30 ADEEMO C[C@H]1C[N@H+]([C@H](C)CCC#N)CCC1=O 663905638 409798973 /nfs/dbraw/zinc/79/89/73/409798973.db2.gz IBMYQSUOROPPEL-VHSXEESVSA-N 1 1 194.278 1.590 10 30 ADEEMO C[C@H]1C[N@@H+]([C@H](C)CCC#N)CCC1=O 663905638 409798979 /nfs/dbraw/zinc/79/89/79/409798979.db2.gz IBMYQSUOROPPEL-VHSXEESVSA-N 1 1 194.278 1.590 10 30 ADEEMO C=CCC[N@@H+]1CC[C@H](CO)C[C@@H]1C 378794972 409800615 /nfs/dbraw/zinc/80/06/15/409800615.db2.gz PXTIZFTVNPFAJK-QWRGUYRKSA-N 1 1 183.295 1.655 10 30 ADEEMO C=CCCC[N@@H+]1C[C@H](O)CC[C@H]1C 378794014 409802057 /nfs/dbraw/zinc/80/20/57/409802057.db2.gz PFPXUKMBWKACLR-GHMZBOCLSA-N 1 1 183.295 1.798 10 30 ADEEMO C=CCC[C@H](O)C[N@@H+]1C[C@H](C)[C@@H]1C 378868834 409811860 /nfs/dbraw/zinc/81/18/60/409811860.db2.gz INOCCMAPNJGXFB-DCAQKATOSA-N 1 1 183.295 1.654 10 30 ADEEMO C=CCOCC[N@@H+]1CC[C@@H](C)[C@H]1C 378866337 409812306 /nfs/dbraw/zinc/81/23/06/409812306.db2.gz BMCAQEIINZYYAY-GHMZBOCLSA-N 1 1 183.295 1.919 10 30 ADEEMO C=CCC[C@H](O)C[N@@H+]1C[C@H](C)[C@H]1C 378868833 409812385 /nfs/dbraw/zinc/81/23/85/409812385.db2.gz INOCCMAPNJGXFB-AXFHLTTASA-N 1 1 183.295 1.654 10 30 ADEEMO C=CCOCC[N@@H+]1CC[C@H](C)[C@@H]1C 378866339 409812515 /nfs/dbraw/zinc/81/25/15/409812515.db2.gz BMCAQEIINZYYAY-QWRGUYRKSA-N 1 1 183.295 1.919 10 30 ADEEMO C=CCOCC[N@@H+]1CC[C@@H](C)[C@@H]1C 378866338 409812607 /nfs/dbraw/zinc/81/26/07/409812607.db2.gz BMCAQEIINZYYAY-MNOVXSKESA-N 1 1 183.295 1.919 10 30 ADEEMO C=CCOCC[N@@H+]1CC[C@H]1CC 378866044 409812673 /nfs/dbraw/zinc/81/26/73/409812673.db2.gz ATZFDKWSNSPDPY-SNVBAGLBSA-N 1 1 169.268 1.673 10 30 ADEEMO C=CCOCC[N@@H+]1CC[C@@H](CC)C1 378868174 409812710 /nfs/dbraw/zinc/81/27/10/409812710.db2.gz GYNHJGZOBVGUAV-LLVKDONJSA-N 1 1 183.295 1.921 10 30 ADEEMO C=CCC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H]1C 378868835 409812748 /nfs/dbraw/zinc/81/27/48/409812748.db2.gz INOCCMAPNJGXFB-MXWKQRLJSA-N 1 1 183.295 1.654 10 30 ADEEMO C=CCOCC[N@@H+]1CC[C@H](C)[C@H]1C 378866340 409812938 /nfs/dbraw/zinc/81/29/38/409812938.db2.gz BMCAQEIINZYYAY-WDEREUQCSA-N 1 1 183.295 1.919 10 30 ADEEMO C=CCOCC[N@@H+](CC=C)C1CC1 378868184 409812952 /nfs/dbraw/zinc/81/29/52/409812952.db2.gz GZDSDIWQGIWWMD-UHFFFAOYSA-N 1 1 181.279 1.839 10 30 ADEEMO CC#CC[N@H+](C)C[C@@](C)(O)CC 378868744 409813042 /nfs/dbraw/zinc/81/30/42/409813042.db2.gz IHWCQGJPBKWKPT-JTQLQIEISA-N 1 1 169.268 1.103 10 30 ADEEMO C=CCC[C@H](O)C[N@@H+]1C[C@@H](C)[C@@H]1C 378868836 409813092 /nfs/dbraw/zinc/81/30/92/409813092.db2.gz INOCCMAPNJGXFB-VWYCJHECSA-N 1 1 183.295 1.654 10 30 ADEEMO CC#CC[N@H+](C)C[C@](C)(O)CC 378868745 409813146 /nfs/dbraw/zinc/81/31/46/409813146.db2.gz IHWCQGJPBKWKPT-SNVBAGLBSA-N 1 1 169.268 1.103 10 30 ADEEMO C=CCOCC[N@@H+]1CC[C@H](CC)C1 378868175 409813362 /nfs/dbraw/zinc/81/33/62/409813362.db2.gz GYNHJGZOBVGUAV-NSHDSACASA-N 1 1 183.295 1.921 10 30 ADEEMO C=CCOCC[N@@H+]1CC[C@@H]1CC 378866043 409813558 /nfs/dbraw/zinc/81/35/58/409813558.db2.gz ATZFDKWSNSPDPY-JTQLQIEISA-N 1 1 169.268 1.673 10 30 ADEEMO C=CCOCC[N@@H+]1C[C@@H](C)[C@@H]1C 378874511 409814867 /nfs/dbraw/zinc/81/48/67/409814867.db2.gz WUNPFWRPUAKYKM-ZJUUUORDSA-N 1 1 169.268 1.529 10 30 ADEEMO C=CCOCC[N@@H+]1C[C@@H](C)[C@H]1C 378874508 409815824 /nfs/dbraw/zinc/81/58/24/409815824.db2.gz WUNPFWRPUAKYKM-NXEZZACHSA-N 1 1 169.268 1.529 10 30 ADEEMO C=CCOCC[N@@H+]1C[C@H](C)[C@@H]1C 378874509 409816327 /nfs/dbraw/zinc/81/63/27/409816327.db2.gz WUNPFWRPUAKYKM-UWVGGRQHSA-N 1 1 169.268 1.529 10 30 ADEEMO C=CCOCC[N@@H+]1C[C@H](C)[C@H]1C 378874510 409816489 /nfs/dbraw/zinc/81/64/89/409816489.db2.gz WUNPFWRPUAKYKM-VHSXEESVSA-N 1 1 169.268 1.529 10 30 ADEEMO C=CCCC[N@@H+]1CC[C@H]([NH3+])[C@@H]1C 379317902 409824131 /nfs/dbraw/zinc/82/41/31/409824131.db2.gz IGRFZSKAJSZAQP-UWVGGRQHSA-N 1 1 168.284 1.374 10 30 ADEEMO C=CCCC[N@H+]1CC[C@H](N)[C@@H]1C 379317902 409824137 /nfs/dbraw/zinc/82/41/37/409824137.db2.gz IGRFZSKAJSZAQP-UWVGGRQHSA-N 1 1 168.284 1.374 10 30 ADEEMO C=CCCC[N@@H+]1CC[C@H](N)[C@@H]1C 379317902 409824142 /nfs/dbraw/zinc/82/41/42/409824142.db2.gz IGRFZSKAJSZAQP-UWVGGRQHSA-N 1 1 168.284 1.374 10 30 ADEEMO C=C(C)C[N@H+](C)C(C)(C)COC 379325358 409825764 /nfs/dbraw/zinc/82/57/64/409825764.db2.gz BXFQOPLHIFVTKG-UHFFFAOYSA-N 1 1 171.284 1.919 10 30 ADEEMO CC#CC[N@@H+](C)CCc1cncs1 664621362 409830862 /nfs/dbraw/zinc/83/08/62/409830862.db2.gz AWQUAWMVLZBKTG-UHFFFAOYSA-N 1 1 194.303 1.641 10 30 ADEEMO C=CC[N@H+](C)Cc1ccc(N)nc1 379570138 409848808 /nfs/dbraw/zinc/84/88/08/409848808.db2.gz CHHKIQRIUIVRMZ-UHFFFAOYSA-N 1 1 177.251 1.112 10 30 ADEEMO C=CCOCCC[NH2+][C@H]1CCC[C@@H]1N 665263187 409860972 /nfs/dbraw/zinc/86/09/72/409860972.db2.gz HXDUSMCOUWYWTD-QWRGUYRKSA-N 1 1 198.310 1.049 10 30 ADEEMO C=CCOCCC[NH2+][C@@H]1CCC[C@@H]1N 665263188 409862142 /nfs/dbraw/zinc/86/21/42/409862142.db2.gz HXDUSMCOUWYWTD-WDEREUQCSA-N 1 1 198.310 1.049 10 30 ADEEMO C=CCOCCC[NH2+][C@@H]1CCC[C@H]1N 665263185 409862579 /nfs/dbraw/zinc/86/25/79/409862579.db2.gz HXDUSMCOUWYWTD-GHMZBOCLSA-N 1 1 198.310 1.049 10 30 ADEEMO C=CCOCCC[NH2+][C@H]1CCC[C@H]1N 665263186 409862863 /nfs/dbraw/zinc/86/28/63/409862863.db2.gz HXDUSMCOUWYWTD-MNOVXSKESA-N 1 1 198.310 1.049 10 30 ADEEMO C=CCCC[N@H+]1CCO[C@@H]([C@@H](C)O)C1 665274920 409864198 /nfs/dbraw/zinc/86/41/98/409864198.db2.gz RQFMKTMFTROABF-GHMZBOCLSA-N 1 1 199.294 1.034 10 30 ADEEMO C=CCCC[N@H+]1CCO[C@@H]([C@H](C)O)C1 665274923 409864656 /nfs/dbraw/zinc/86/46/56/409864656.db2.gz RQFMKTMFTROABF-WDEREUQCSA-N 1 1 199.294 1.034 10 30 ADEEMO C=C(CC)C[N@@H+]1CCO[C@@H]([C@H](C)O)C1 665274960 409864849 /nfs/dbraw/zinc/86/48/49/409864849.db2.gz QRNMKVOWCYDQJH-WDEREUQCSA-N 1 1 199.294 1.034 10 30 ADEEMO C=C(CC)C[N@H+]1CCO[C@@H]([C@H](C)O)C1 665274960 409864856 /nfs/dbraw/zinc/86/48/56/409864856.db2.gz QRNMKVOWCYDQJH-WDEREUQCSA-N 1 1 199.294 1.034 10 30 ADEEMO C=C(C)CC[N@H+]1CCO[C@@H]([C@@H](C)O)C1 665274969 409865888 /nfs/dbraw/zinc/86/58/88/409865888.db2.gz WAXFOYLZZOUWBR-GHMZBOCLSA-N 1 1 199.294 1.034 10 30 ADEEMO C=C(C)CC[N@H+]1CCO[C@@H]([C@H](C)O)C1 665274972 409865924 /nfs/dbraw/zinc/86/59/24/409865924.db2.gz WAXFOYLZZOUWBR-WDEREUQCSA-N 1 1 199.294 1.034 10 30 ADEEMO C=CCCC[N@H+]1CCO[C@H]([C@H](C)O)C1 665274922 409866081 /nfs/dbraw/zinc/86/60/81/409866081.db2.gz RQFMKTMFTROABF-QWRGUYRKSA-N 1 1 199.294 1.034 10 30 ADEEMO C=C(CC)C[N@@H+]1CCO[C@@H]([C@@H](C)O)C1 665274957 409866099 /nfs/dbraw/zinc/86/60/99/409866099.db2.gz QRNMKVOWCYDQJH-GHMZBOCLSA-N 1 1 199.294 1.034 10 30 ADEEMO C=C(CC)C[N@H+]1CCO[C@@H]([C@@H](C)O)C1 665274957 409866106 /nfs/dbraw/zinc/86/61/06/409866106.db2.gz QRNMKVOWCYDQJH-GHMZBOCLSA-N 1 1 199.294 1.034 10 30 ADEEMO C=C(CC)C[N@@H+]1CCO[C@H]([C@@H](C)O)C1 665274958 409866286 /nfs/dbraw/zinc/86/62/86/409866286.db2.gz QRNMKVOWCYDQJH-MNOVXSKESA-N 1 1 199.294 1.034 10 30 ADEEMO C=C(CC)C[N@H+]1CCO[C@H]([C@@H](C)O)C1 665274958 409866288 /nfs/dbraw/zinc/86/62/88/409866288.db2.gz QRNMKVOWCYDQJH-MNOVXSKESA-N 1 1 199.294 1.034 10 30 ADEEMO C=C(C)CC[N@H+]1CCO[C@H]([C@H](C)O)C1 665274971 409866640 /nfs/dbraw/zinc/86/66/40/409866640.db2.gz WAXFOYLZZOUWBR-QWRGUYRKSA-N 1 1 199.294 1.034 10 30 ADEEMO C=C(CC)C[N@H+]1CCO[C@H]([C@H](C)O)C1 665274959 409866842 /nfs/dbraw/zinc/86/68/42/409866842.db2.gz QRNMKVOWCYDQJH-QWRGUYRKSA-N 1 1 199.294 1.034 10 30 ADEEMO C=CCCC[N@H+]1CCO[C@H]([C@@H](C)O)C1 665274921 409866759 /nfs/dbraw/zinc/86/67/59/409866759.db2.gz RQFMKTMFTROABF-MNOVXSKESA-N 1 1 199.294 1.034 10 30 ADEEMO C=C(CC)C[N@@H+]1CCO[C@H]([C@H](C)O)C1 665274959 409866836 /nfs/dbraw/zinc/86/68/36/409866836.db2.gz QRNMKVOWCYDQJH-QWRGUYRKSA-N 1 1 199.294 1.034 10 30 ADEEMO C=C(C)CC[N@H+]1CCO[C@H]([C@@H](C)O)C1 665274970 409867010 /nfs/dbraw/zinc/86/70/10/409867010.db2.gz WAXFOYLZZOUWBR-MNOVXSKESA-N 1 1 199.294 1.034 10 30 ADEEMO C=CCCC(=O)N[C@H]1CC[N@H+](CC)C1 665669377 409883059 /nfs/dbraw/zinc/88/30/59/409883059.db2.gz AKNHOVKQTNQXCP-JTQLQIEISA-N 1 1 196.294 1.163 10 30 ADEEMO C=CCCC(=O)N[C@@H]1CC[N@H+](CC)C1 665669378 409883085 /nfs/dbraw/zinc/88/30/85/409883085.db2.gz AKNHOVKQTNQXCP-SNVBAGLBSA-N 1 1 196.294 1.163 10 30 ADEEMO C=CC[N@@H+](C)Cc1conc1CC 382003306 409887808 /nfs/dbraw/zinc/88/78/08/409887808.db2.gz AFDBRXJQETYQNW-UHFFFAOYSA-N 1 1 180.251 1.855 10 30 ADEEMO C=CC[N@H+](C)Cc1conc1CC 382003306 409887813 /nfs/dbraw/zinc/88/78/13/409887813.db2.gz AFDBRXJQETYQNW-UHFFFAOYSA-N 1 1 180.251 1.855 10 30 ADEEMO C=CCOCC[N@H+](C)CC#CC 382048461 409889086 /nfs/dbraw/zinc/88/90/86/409889086.db2.gz CSPPHJPFNIWKIG-UHFFFAOYSA-N 1 1 167.252 1.144 10 30 ADEEMO C=CCOCC[N@H+](CC)C1CC1 382007918 409889121 /nfs/dbraw/zinc/88/91/21/409889121.db2.gz BUMDKAXDEUAVOQ-UHFFFAOYSA-N 1 1 169.268 1.673 10 30 ADEEMO C=C(CC)C[N@H+]1CC[C@H]1COC 382112603 409889857 /nfs/dbraw/zinc/88/98/57/409889857.db2.gz LAXRVTUTMWZGEO-JTQLQIEISA-N 1 1 169.268 1.673 10 30 ADEEMO C=C(CC)C[N@H+]1CC[C@@H]1COC 382112604 409889933 /nfs/dbraw/zinc/88/99/33/409889933.db2.gz LAXRVTUTMWZGEO-SNVBAGLBSA-N 1 1 169.268 1.673 10 30 ADEEMO C=CCCC[N@@H+]1C[C@@H](O)CC[C@@H]1C 382229577 409896742 /nfs/dbraw/zinc/89/67/42/409896742.db2.gz PFPXUKMBWKACLR-QWRGUYRKSA-N 1 1 183.295 1.798 10 30 ADEEMO C=C(C)CC[N@@H+]1CC[C@H]1COC 382303814 409899690 /nfs/dbraw/zinc/89/96/90/409899690.db2.gz ODONLFQYTHYXLJ-JTQLQIEISA-N 1 1 169.268 1.673 10 30 ADEEMO C=CCC[N@@H+]1CC[C@H]1COC 382316444 409900241 /nfs/dbraw/zinc/90/02/41/409900241.db2.gz RQMHAZXNDMJHMZ-VIFPVBQESA-N 1 1 155.241 1.283 10 30 ADEEMO C=C(C)CC[N@@H+]1CC[C@@H]1COC 382303817 409900564 /nfs/dbraw/zinc/90/05/64/409900564.db2.gz ODONLFQYTHYXLJ-SNVBAGLBSA-N 1 1 169.268 1.673 10 30 ADEEMO CC#CCC[N@@H+]1CC[C@H]1COC 382319520 409900756 /nfs/dbraw/zinc/90/07/56/409900756.db2.gz SPQPBUVBPCYRFN-JTQLQIEISA-N 1 1 167.252 1.121 10 30 ADEEMO C=CCC[N@@H+]1CC[C@@H]1COC 382316443 409900914 /nfs/dbraw/zinc/90/09/14/409900914.db2.gz RQMHAZXNDMJHMZ-SECBINFHSA-N 1 1 155.241 1.283 10 30 ADEEMO CC#CCC[N@@H+]1CC[C@@H]1COC 382319523 409901458 /nfs/dbraw/zinc/90/14/58/409901458.db2.gz SPQPBUVBPCYRFN-SNVBAGLBSA-N 1 1 167.252 1.121 10 30 ADEEMO C=CCCC[N@@H+]1CC[C@H]1COC 382340780 409902524 /nfs/dbraw/zinc/90/25/24/409902524.db2.gz ZQTAYOBZCOJHAI-JTQLQIEISA-N 1 1 169.268 1.673 10 30 ADEEMO C=CCOCC[N@H+](C)CCC1CC1 382342453 409903250 /nfs/dbraw/zinc/90/32/50/409903250.db2.gz CPGSZLWAIBXTKO-UHFFFAOYSA-N 1 1 183.295 1.921 10 30 ADEEMO C=CCCC[N@@H+]1CC[C@@H]1COC 382340781 409904214 /nfs/dbraw/zinc/90/42/14/409904214.db2.gz ZQTAYOBZCOJHAI-SNVBAGLBSA-N 1 1 169.268 1.673 10 30 ADEEMO C=C(C)C[N@@H+]1CC[C@H](CO)[C@@H]1CC 385934465 409930097 /nfs/dbraw/zinc/93/00/97/409930097.db2.gz VHFLSQPBPGBNFL-MNOVXSKESA-N 1 1 183.295 1.655 10 30 ADEEMO C=C(C)C[N@@H+]1CC[C@@H](CO)[C@@H]1CC 385934467 409929629 /nfs/dbraw/zinc/92/96/29/409929629.db2.gz VHFLSQPBPGBNFL-QWRGUYRKSA-N 1 1 183.295 1.655 10 30 ADEEMO C=C(C)C[N@@H+]1CC[C@H](CO)[C@H]1CC 385934464 409930033 /nfs/dbraw/zinc/93/00/33/409930033.db2.gz VHFLSQPBPGBNFL-GHMZBOCLSA-N 1 1 183.295 1.655 10 30 ADEEMO C=CCC[N@@H+]1CC[C@H](CO)[C@H]1CC 385876038 409930577 /nfs/dbraw/zinc/93/05/77/409930577.db2.gz KDAJCTWYJFIBFL-GHMZBOCLSA-N 1 1 183.295 1.655 10 30 ADEEMO C=CCC[N@@H+]1CC[C@H](CO)[C@@H]1CC 385876039 409930686 /nfs/dbraw/zinc/93/06/86/409930686.db2.gz KDAJCTWYJFIBFL-MNOVXSKESA-N 1 1 183.295 1.655 10 30 ADEEMO C=C(C)C[N@@H+]1CC[C@@H](CO)[C@H]1CC 385934469 409931037 /nfs/dbraw/zinc/93/10/37/409931037.db2.gz VHFLSQPBPGBNFL-WDEREUQCSA-N 1 1 183.295 1.655 10 30 ADEEMO C=CC[N@@H+]1CC[C@H](CO)[C@@H]1CC 385625795 409931135 /nfs/dbraw/zinc/93/11/35/409931135.db2.gz AMEJTGJBVYLYNS-ZJUUUORDSA-N 1 1 169.268 1.265 10 30 ADEEMO C=CC[N@@H+]1CC[C@@H](CO)[C@H]1CC 385625791 409931592 /nfs/dbraw/zinc/93/15/92/409931592.db2.gz AMEJTGJBVYLYNS-VHSXEESVSA-N 1 1 169.268 1.265 10 30 ADEEMO C=CCC[N@@H+]1CC[C@@H](CO)[C@@H]1CC 385876040 409931800 /nfs/dbraw/zinc/93/18/00/409931800.db2.gz KDAJCTWYJFIBFL-QWRGUYRKSA-N 1 1 183.295 1.655 10 30 ADEEMO C=CC[N@@H+]1CC[C@H](CO)[C@H]1CC 385625785 409931873 /nfs/dbraw/zinc/93/18/73/409931873.db2.gz AMEJTGJBVYLYNS-NXEZZACHSA-N 1 1 169.268 1.265 10 30 ADEEMO C=CCC[N@@H+]1CC[C@@H](CO)[C@H]1CC 385876041 409931919 /nfs/dbraw/zinc/93/19/19/409931919.db2.gz KDAJCTWYJFIBFL-WDEREUQCSA-N 1 1 183.295 1.655 10 30 ADEEMO C=CC[N@@H+]1CC[C@@H](CO)[C@@H]1CC 385625788 409931958 /nfs/dbraw/zinc/93/19/58/409931958.db2.gz AMEJTGJBVYLYNS-UWVGGRQHSA-N 1 1 169.268 1.265 10 30 ADEEMO C=CC[N@@H+](C)Cc1cc(C)ncn1 388252539 409950373 /nfs/dbraw/zinc/95/03/73/409950373.db2.gz XQUQZRQMBYUNKH-UHFFFAOYSA-N 1 1 177.251 1.403 10 30 ADEEMO C=CC[N@H+](C)Cc1cc(C)ncn1 388252539 409950380 /nfs/dbraw/zinc/95/03/80/409950380.db2.gz XQUQZRQMBYUNKH-UHFFFAOYSA-N 1 1 177.251 1.403 10 30 ADEEMO C=C(C)[C@@H](CO)[N@@H+]1CC[C@@H]1CC 388369402 409953959 /nfs/dbraw/zinc/95/39/59/409953959.db2.gz CBFGKXCPXNDAOA-VHSXEESVSA-N 1 1 169.268 1.408 10 30 ADEEMO C=C(C)[C@H](CO)[N@@H+]1CC[C@H]1CC 388369403 409953966 /nfs/dbraw/zinc/95/39/66/409953966.db2.gz CBFGKXCPXNDAOA-ZJUUUORDSA-N 1 1 169.268 1.408 10 30 ADEEMO C=C(C)[C@@H](CO)[N@@H+]1CC[C@H]1CC 388369400 409955752 /nfs/dbraw/zinc/95/57/52/409955752.db2.gz CBFGKXCPXNDAOA-NXEZZACHSA-N 1 1 169.268 1.408 10 30 ADEEMO C=C(C)[C@H](CO)[N@@H+]1CC[C@@H]1CC 388369401 409956260 /nfs/dbraw/zinc/95/62/60/409956260.db2.gz CBFGKXCPXNDAOA-UWVGGRQHSA-N 1 1 169.268 1.408 10 30 ADEEMO C=CCCC[N@@H+]1CC[C@@H](O)C[C@H]1C 388763287 409962158 /nfs/dbraw/zinc/96/21/58/409962158.db2.gz FBFQPBFBTKZVTJ-GHMZBOCLSA-N 1 1 183.295 1.798 10 30 ADEEMO C=CCOCC[N@H+]1C[C@H]2CCC[C@H]21 393906616 409993709 /nfs/dbraw/zinc/99/37/09/409993709.db2.gz IBRNJKIBPKPNIP-GHMZBOCLSA-N 1 1 181.279 1.673 10 30 ADEEMO C=CCC[N@H+](C)C1(CO)CCC1 393346074 409981801 /nfs/dbraw/zinc/98/18/01/409981801.db2.gz CYNMGDJNOPLDCA-UHFFFAOYSA-N 1 1 169.268 1.409 10 30 ADEEMO CC#CC[N@H+](C)CCC(C)(C)OC 393481871 409985505 /nfs/dbraw/zinc/98/55/05/409985505.db2.gz RCLJGEOQLWIVGM-UHFFFAOYSA-N 1 1 183.295 1.757 10 30 ADEEMO C=CCOCC[N@H+]1[C@@H](C)C[C@H]1C 393568920 409986695 /nfs/dbraw/zinc/98/66/95/409986695.db2.gz RGGOXDPBQRIMIF-AOOOYVTPSA-N 1 1 169.268 1.672 10 30 ADEEMO C=CC[N@H+](C)CC1(COC)CCC1 393719845 409990572 /nfs/dbraw/zinc/99/05/72/409990572.db2.gz AJMHPISBAHLMNX-UHFFFAOYSA-N 1 1 183.295 1.921 10 30 ADEEMO C=CC[C@@H](CC)N[C@@H]1CC[NH2+]C1 393773126 409992213 /nfs/dbraw/zinc/99/22/13/409992213.db2.gz KQFPSSHMLHKBHR-NXEZZACHSA-N 1 1 168.284 1.293 10 30 ADEEMO C=CC[C@H](CC)N[C@H]1CC[NH2+]C1 393773131 409992324 /nfs/dbraw/zinc/99/23/24/409992324.db2.gz KQFPSSHMLHKBHR-UWVGGRQHSA-N 1 1 168.284 1.293 10 30 ADEEMO C=CCOCC[N@H+]1C[C@@H]2CCC[C@@H]21 393906618 409992638 /nfs/dbraw/zinc/99/26/38/409992638.db2.gz IBRNJKIBPKPNIP-QWRGUYRKSA-N 1 1 181.279 1.673 10 30 ADEEMO C=CC[C@H](CC)N[C@@H]1CC[NH2+]C1 393773133 409992933 /nfs/dbraw/zinc/99/29/33/409992933.db2.gz KQFPSSHMLHKBHR-VHSXEESVSA-N 1 1 168.284 1.293 10 30 ADEEMO C=CCOCC[N@H+]1C[C@H]2CCC[C@@H]21 393906617 409993079 /nfs/dbraw/zinc/99/30/79/409993079.db2.gz IBRNJKIBPKPNIP-MNOVXSKESA-N 1 1 181.279 1.673 10 30 ADEEMO C=CCOCC[N@H+]1C[C@@H]2CCC[C@H]21 393906619 409994429 /nfs/dbraw/zinc/99/44/29/409994429.db2.gz IBRNJKIBPKPNIP-WDEREUQCSA-N 1 1 181.279 1.673 10 30 ADEEMO C=CC[C@@H](CC)N[C@H]1CC[NH2+]C1 393773138 409994549 /nfs/dbraw/zinc/99/45/49/409994549.db2.gz KQFPSSHMLHKBHR-ZJUUUORDSA-N 1 1 168.284 1.293 10 30 ADEEMO CC#CCC[N@@H+]1CC[C@H](CO)[C@@H]1CC 395194464 410004958 /nfs/dbraw/zinc/00/49/58/410004958.db2.gz JPEKRINUGUYEMI-NEPJUHHUSA-N 1 1 195.306 1.493 10 30 ADEEMO C=CCCC[N@@H+]1CCC[C@H](O)[C@H]1C 395001441 410002864 /nfs/dbraw/zinc/00/28/64/410002864.db2.gz QBXDPOFHTIHEMH-MNOVXSKESA-N 1 1 183.295 1.798 10 30 ADEEMO C=CCCC[N@@H+]1CCC[C@H](O)[C@@H]1C 395001444 410002930 /nfs/dbraw/zinc/00/29/30/410002930.db2.gz QBXDPOFHTIHEMH-QWRGUYRKSA-N 1 1 183.295 1.798 10 30 ADEEMO C=CCCC[N@@H+]1CCC[C@@H](O)[C@H]1C 395001439 410003211 /nfs/dbraw/zinc/00/32/11/410003211.db2.gz QBXDPOFHTIHEMH-GHMZBOCLSA-N 1 1 183.295 1.798 10 30 ADEEMO C=CCCC[N@@H+]1CCC[C@@H](O)[C@@H]1C 395001446 410003269 /nfs/dbraw/zinc/00/32/69/410003269.db2.gz QBXDPOFHTIHEMH-WDEREUQCSA-N 1 1 183.295 1.798 10 30 ADEEMO CC#CCC[N@@H+]1CC[C@H](CO)[C@H]1CC 395194468 410005413 /nfs/dbraw/zinc/00/54/13/410005413.db2.gz JPEKRINUGUYEMI-VXGBXAGGSA-N 1 1 195.306 1.493 10 30 ADEEMO CC#CCC[N@@H+]1CC[C@@H](CO)[C@@H]1CC 395194467 410005656 /nfs/dbraw/zinc/00/56/56/410005656.db2.gz JPEKRINUGUYEMI-RYUDHWBXSA-N 1 1 195.306 1.493 10 30 ADEEMO CC#CCC[N@@H+]1CC[C@@H](CO)[C@H]1CC 395194466 410006051 /nfs/dbraw/zinc/00/60/51/410006051.db2.gz JPEKRINUGUYEMI-NWDGAFQWSA-N 1 1 195.306 1.493 10 30 ADEEMO C=CCCC[C@H](C)N[C@@H]1CC[NH2+]C1 398054448 410019715 /nfs/dbraw/zinc/01/97/15/410019715.db2.gz CXQJSWRICRUROJ-WDEREUQCSA-N 1 1 182.311 1.683 10 30 ADEEMO C=CCCC[C@@H](C)N[C@@H]1CC[NH2+]C1 398054444 410019899 /nfs/dbraw/zinc/01/98/99/410019899.db2.gz CXQJSWRICRUROJ-GHMZBOCLSA-N 1 1 182.311 1.683 10 30 ADEEMO C=CCCC[C@@H](C)N[C@H]1CC[NH2+]C1 398054445 410020082 /nfs/dbraw/zinc/02/00/82/410020082.db2.gz CXQJSWRICRUROJ-MNOVXSKESA-N 1 1 182.311 1.683 10 30 ADEEMO C=CCCC[C@H](C)N[C@H]1CC[NH2+]C1 398054447 410022126 /nfs/dbraw/zinc/02/21/26/410022126.db2.gz CXQJSWRICRUROJ-QWRGUYRKSA-N 1 1 182.311 1.683 10 30 ADEEMO C=CCCC[N@@H+]1C[C@@H](O)CC[C@H]1C 399302187 410027037 /nfs/dbraw/zinc/02/70/37/410027037.db2.gz PFPXUKMBWKACLR-MNOVXSKESA-N 1 1 183.295 1.798 10 30 ADEEMO C=CCOCC[N@@H+]1C[C@@H](O)CC[C@@H]1C 399348341 410027065 /nfs/dbraw/zinc/02/70/65/410027065.db2.gz XEQFTABYRNHBGE-QWRGUYRKSA-N 1 1 199.294 1.034 10 30 ADEEMO C=CCOCC[N@@H+]1C[C@H](O)CC[C@H]1C 399348339 410027168 /nfs/dbraw/zinc/02/71/68/410027168.db2.gz XEQFTABYRNHBGE-GHMZBOCLSA-N 1 1 199.294 1.034 10 30 ADEEMO C=CCOCC[N@@H+]1C[C@H](O)CC[C@@H]1C 399348342 410027259 /nfs/dbraw/zinc/02/72/59/410027259.db2.gz XEQFTABYRNHBGE-WDEREUQCSA-N 1 1 199.294 1.034 10 30 ADEEMO C=CCCC[N@@H+]1C[C@H](O)CC[C@@H]1C 399302189 410028099 /nfs/dbraw/zinc/02/80/99/410028099.db2.gz PFPXUKMBWKACLR-WDEREUQCSA-N 1 1 183.295 1.798 10 30 ADEEMO C=CCOCC[N@@H+]1C[C@@H](O)CC[C@H]1C 399348340 410028459 /nfs/dbraw/zinc/02/84/59/410028459.db2.gz XEQFTABYRNHBGE-MNOVXSKESA-N 1 1 199.294 1.034 10 30 ADEEMO C=CCCC[N@H+]1C[C@@H](C)C[C@H](O)C1 401964058 410034727 /nfs/dbraw/zinc/03/47/27/410034727.db2.gz RIBYUOYPJWSEKQ-QWRGUYRKSA-N 1 1 183.295 1.655 10 30 ADEEMO C=CCCC[N@H+]1C[C@H](C)C[C@@H](O)C1 401964057 410035654 /nfs/dbraw/zinc/03/56/54/410035654.db2.gz RIBYUOYPJWSEKQ-GHMZBOCLSA-N 1 1 183.295 1.655 10 30 ADEEMO C=CCCC[N@H+]1C[C@@H](C)C[C@@H](O)C1 401964059 410035831 /nfs/dbraw/zinc/03/58/31/410035831.db2.gz RIBYUOYPJWSEKQ-WDEREUQCSA-N 1 1 183.295 1.655 10 30 ADEEMO C=C1CCN(c2ccc(N)[nH+]c2)C1 575462345 410058396 /nfs/dbraw/zinc/05/83/96/410058396.db2.gz DXMBOBUBGJSVQD-UHFFFAOYSA-N 1 1 175.235 1.430 10 30 ADEEMO C=CCC(=O)Nc1cc[nH+]c(N)c1 575525678 410087479 /nfs/dbraw/zinc/08/74/79/410087479.db2.gz IXYKCIBHZZXXJW-UHFFFAOYSA-N 1 1 177.207 1.178 10 30 ADEEMO C[C@H](CO)C[N@@H+](C)[C@H]1CCC[C@@H]1C#N 602980218 410134033 /nfs/dbraw/zinc/13/40/33/410134033.db2.gz NDMADMKVBCCHSN-AXFHLTTASA-N 1 1 196.294 1.239 10 30 ADEEMO C[C@H](CO)C[N@@H+](C)[C@H]1CCC[C@H]1C#N 602980219 410134155 /nfs/dbraw/zinc/13/41/55/410134155.db2.gz NDMADMKVBCCHSN-DCAQKATOSA-N 1 1 196.294 1.239 10 30 ADEEMO C[C@H](CO)C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N 602980221 410134392 /nfs/dbraw/zinc/13/43/92/410134392.db2.gz NDMADMKVBCCHSN-HBNTYKKESA-N 1 1 196.294 1.239 10 30 ADEEMO C[C@H](CO)C[N@@H+](C)[C@@H]1CCC[C@H]1C#N 602980220 410134519 /nfs/dbraw/zinc/13/45/19/410134519.db2.gz NDMADMKVBCCHSN-GARJFASQSA-N 1 1 196.294 1.239 10 30 ADEEMO C=C(C)[C@H](CO)[N@@H+](C)Cc1ccco1 649225162 410177060 /nfs/dbraw/zinc/17/70/60/410177060.db2.gz SBCVNOAVMOGQEQ-NSHDSACASA-N 1 1 195.262 1.648 10 30 ADEEMO C=C(C)[C@@H](CO)[N@@H+](C)Cc1ccco1 649225161 410177376 /nfs/dbraw/zinc/17/73/76/410177376.db2.gz SBCVNOAVMOGQEQ-LLVKDONJSA-N 1 1 195.262 1.648 10 30 ADEEMO C=C(C)[C@H](CO)[N@@H+](CC)CC(C)C 649245257 410180200 /nfs/dbraw/zinc/18/02/00/410180200.db2.gz INSMGGKLYODUFH-NSHDSACASA-N 1 1 185.311 1.901 10 30 ADEEMO C=C(C)C[N@H+](CC)[C@H](CO)C(=C)C 649239451 410179135 /nfs/dbraw/zinc/17/91/35/410179135.db2.gz SLNWOEPDAKHPON-LLVKDONJSA-N 1 1 183.295 1.821 10 30 ADEEMO C=C(C)[C@H](CO)[N@@H+](C)Cc1ccoc1 649254592 410179285 /nfs/dbraw/zinc/17/92/85/410179285.db2.gz ODTMRAUGXMNSJR-NSHDSACASA-N 1 1 195.262 1.648 10 30 ADEEMO C=C(C)[C@@H](CO)[N@@H+](C)CC1CC1 649250046 410179548 /nfs/dbraw/zinc/17/95/48/410179548.db2.gz LNAHGCBOQAOQHP-SNVBAGLBSA-N 1 1 169.268 1.265 10 30 ADEEMO C=C(C)[C@@H](CO)[N@H+](C)CCC(C)C 649251432 410179574 /nfs/dbraw/zinc/17/95/74/410179574.db2.gz HMUDZSKIVRYKAM-LLVKDONJSA-N 1 1 185.311 1.901 10 30 ADEEMO C=C(C)[C@@H](CO)[N@@H+](C)Cc1ccoc1 649254591 410179675 /nfs/dbraw/zinc/17/96/75/410179675.db2.gz ODTMRAUGXMNSJR-LLVKDONJSA-N 1 1 195.262 1.648 10 30 ADEEMO C=C(C)C[N@H+](CC)[C@@H](CO)C(=C)C 649239452 410179736 /nfs/dbraw/zinc/17/97/36/410179736.db2.gz SLNWOEPDAKHPON-NSHDSACASA-N 1 1 183.295 1.821 10 30 ADEEMO C=CCCCC[N@H+](C)CCOC 649253729 410179836 /nfs/dbraw/zinc/17/98/36/410179836.db2.gz BGZRGNFPWZYBIU-UHFFFAOYSA-N 1 1 171.284 1.921 10 30 ADEEMO C=C(C)[C@H](CO)[N@@H+](C)CC1CC1 649250045 410179887 /nfs/dbraw/zinc/17/98/87/410179887.db2.gz LNAHGCBOQAOQHP-JTQLQIEISA-N 1 1 169.268 1.265 10 30 ADEEMO C=C(C)[C@@H](CO)[N@@H+](CC)CC(C)C 649245256 410180063 /nfs/dbraw/zinc/18/00/63/410180063.db2.gz INSMGGKLYODUFH-LLVKDONJSA-N 1 1 185.311 1.901 10 30 ADEEMO C=CCCCC[N@@H+](C)CCO 649242613 410180105 /nfs/dbraw/zinc/18/01/05/410180105.db2.gz HOGQJVPCTYNRIV-UHFFFAOYSA-N 1 1 157.257 1.267 10 30 ADEEMO C=C(C)[C@@H](CO)[N@@H+]1CCO[C@H](CC)C1 649244911 410180388 /nfs/dbraw/zinc/18/03/88/410180388.db2.gz NFIHALQKHRKKDL-GHMZBOCLSA-N 1 1 199.294 1.034 10 30 ADEEMO C=C(C)[C@@H](CO)[N@@H+]1CCO[C@@H](CC)C1 649244914 410180416 /nfs/dbraw/zinc/18/04/16/410180416.db2.gz NFIHALQKHRKKDL-WDEREUQCSA-N 1 1 199.294 1.034 10 30 ADEEMO C=C(C)[C@H](CO)[N@H+](C)CCC(C)C 649251433 410180471 /nfs/dbraw/zinc/18/04/71/410180471.db2.gz HMUDZSKIVRYKAM-NSHDSACASA-N 1 1 185.311 1.901 10 30 ADEEMO C=C(C)[C@H](CO)[N@@H+]1CCO[C@@H](CC)C1 649244913 410180790 /nfs/dbraw/zinc/18/07/90/410180790.db2.gz NFIHALQKHRKKDL-QWRGUYRKSA-N 1 1 199.294 1.034 10 30 ADEEMO C=C(C)[C@H](CO)[N@@H+]1CCO[C@H](CC)C1 649244912 410181106 /nfs/dbraw/zinc/18/11/06/410181106.db2.gz NFIHALQKHRKKDL-MNOVXSKESA-N 1 1 199.294 1.034 10 30 ADEEMO C=C(C)[C@H](CO)[N@H+](C)CCC 649271320 410182921 /nfs/dbraw/zinc/18/29/21/410182921.db2.gz NZWSJFIIPOGREV-VIFPVBQESA-N 1 1 157.257 1.265 10 30 ADEEMO C=C(C)[C@H](CO)[N@H+](C)CC(C)C 649258702 410183183 /nfs/dbraw/zinc/18/31/83/410183183.db2.gz OFDNGIVRLUHVTL-JTQLQIEISA-N 1 1 171.284 1.511 10 30 ADEEMO C=C(C)[C@H](CO)[N@H+]1CCC[C@@H](OC)C1 649283331 410183230 /nfs/dbraw/zinc/18/32/30/410183230.db2.gz NUUILURNIHNHCO-MNOVXSKESA-N 1 1 199.294 1.034 10 30 ADEEMO C=C(C)[C@@H](CO)[N@H+](C)CCC 649271319 410183498 /nfs/dbraw/zinc/18/34/98/410183498.db2.gz NZWSJFIIPOGREV-SECBINFHSA-N 1 1 157.257 1.265 10 30 ADEEMO C=C(C)[C@@H](CO)[N@H+](C)CC(C)C 649258703 410183722 /nfs/dbraw/zinc/18/37/22/410183722.db2.gz OFDNGIVRLUHVTL-SNVBAGLBSA-N 1 1 171.284 1.511 10 30 ADEEMO C=C(C)[C@@H](CO)[N@H+]1CC[C@@H](C)C1 649278369 410183808 /nfs/dbraw/zinc/18/38/08/410183808.db2.gz QKJFYTMUOJUNLO-NXEZZACHSA-N 1 1 169.268 1.265 10 30 ADEEMO C=C(C)[C@H](CO)[N@H+]1CC[C@H](C)C1 649278370 410183858 /nfs/dbraw/zinc/18/38/58/410183858.db2.gz QKJFYTMUOJUNLO-UWVGGRQHSA-N 1 1 169.268 1.265 10 30 ADEEMO C=C(C)[C@@H](CO)[N@@H+](C)CC(C)(C)C 649280984 410183900 /nfs/dbraw/zinc/18/39/00/410183900.db2.gz AQQFHQIMZSCCFH-SNVBAGLBSA-N 1 1 185.311 1.901 10 30 ADEEMO C=C(C)[C@H](CO)[N@H+]1CCC[C@H](OC)C1 649283332 410183911 /nfs/dbraw/zinc/18/39/11/410183911.db2.gz NUUILURNIHNHCO-QWRGUYRKSA-N 1 1 199.294 1.034 10 30 ADEEMO C=C(C)[C@H](CO)[N@H+]1CC[C@@H](C)C1 649278372 410184039 /nfs/dbraw/zinc/18/40/39/410184039.db2.gz QKJFYTMUOJUNLO-ZJUUUORDSA-N 1 1 169.268 1.265 10 30 ADEEMO C=C(C)[C@@H](CO)[N@H+]1CCC[C@H](OC)C1 649283333 410184075 /nfs/dbraw/zinc/18/40/75/410184075.db2.gz NUUILURNIHNHCO-WDEREUQCSA-N 1 1 199.294 1.034 10 30 ADEEMO C=C(C)[C@@H](CO)[N@H+]1CC[C@H](C)C1 649278371 410184409 /nfs/dbraw/zinc/18/44/09/410184409.db2.gz QKJFYTMUOJUNLO-VHSXEESVSA-N 1 1 169.268 1.265 10 30 ADEEMO C=CCCCC[N@H+]1CCNC(=O)CC1 649285271 410184423 /nfs/dbraw/zinc/18/44/23/410184423.db2.gz SQCIBRVAYFESND-UHFFFAOYSA-N 1 1 196.294 1.165 10 30 ADEEMO C=C(C)[C@@H](CO)[N@H+]1CCC[C@@H](OC)C1 649283330 410184469 /nfs/dbraw/zinc/18/44/69/410184469.db2.gz NUUILURNIHNHCO-GHMZBOCLSA-N 1 1 199.294 1.034 10 30 ADEEMO C=C(C)[C@H](CO)[N@@H+](C)CC(C)(C)C 649280983 410184556 /nfs/dbraw/zinc/18/45/56/410184556.db2.gz AQQFHQIMZSCCFH-JTQLQIEISA-N 1 1 185.311 1.901 10 30 ADEEMO C=CCCC[N@@H+](C)Cc1cnns1 649317424 410188049 /nfs/dbraw/zinc/18/80/49/410188049.db2.gz OZBQUIYOALSTNR-UHFFFAOYSA-N 1 1 197.307 1.936 10 30 ADEEMO C=CCCC[N@H+](C)Cc1cnns1 649317424 410188051 /nfs/dbraw/zinc/18/80/51/410188051.db2.gz OZBQUIYOALSTNR-UHFFFAOYSA-N 1 1 197.307 1.936 10 30 ADEEMO C=CCCC[N@H+](C)C[C@@](C)(O)C(C)=O 649317437 410187393 /nfs/dbraw/zinc/18/73/93/410187393.db2.gz ZKJBTIJLZALKAG-LLVKDONJSA-N 1 1 199.294 1.224 10 30 ADEEMO C=C(C)[C@@H](CO)[N@@H+]1CCC[C@H]1C 649332158 410187463 /nfs/dbraw/zinc/18/74/63/410187463.db2.gz PEAXTFBVUJSDEO-NXEZZACHSA-N 1 1 169.268 1.408 10 30 ADEEMO C=CCCC[N@H+](C)C[C@](C)(O)C(C)=O 649317438 410187549 /nfs/dbraw/zinc/18/75/49/410187549.db2.gz ZKJBTIJLZALKAG-NSHDSACASA-N 1 1 199.294 1.224 10 30 ADEEMO C=C(C)[C@@H](CO)[N@@H+]1CCC[C@@H]1C 649332160 410191646 /nfs/dbraw/zinc/19/16/46/410191646.db2.gz PEAXTFBVUJSDEO-VHSXEESVSA-N 1 1 169.268 1.408 10 30 ADEEMO C=C(C)[C@H](CO)[N@@H+]1CCC[C@@H]1C 649332159 410191671 /nfs/dbraw/zinc/19/16/71/410191671.db2.gz PEAXTFBVUJSDEO-UWVGGRQHSA-N 1 1 169.268 1.408 10 30 ADEEMO C=C(C)[C@H](CO)[N@@H+]1CCC[C@H]1C 649332161 410191694 /nfs/dbraw/zinc/19/16/94/410191694.db2.gz PEAXTFBVUJSDEO-ZJUUUORDSA-N 1 1 169.268 1.408 10 30 ADEEMO C=CCCCC[N@H+](C)[C@@H](C)CO 649395579 410192211 /nfs/dbraw/zinc/19/22/11/410192211.db2.gz KQBBMGHONJUKOP-JTQLQIEISA-N 1 1 171.284 1.655 10 30 ADEEMO C=C(C)[C@H](CO)[N@@H+]1CC=C(C)CC1 649396889 410192532 /nfs/dbraw/zinc/19/25/32/410192532.db2.gz WYFOKDAUSCKCRL-NSHDSACASA-N 1 1 181.279 1.575 10 30 ADEEMO C=C(C)[C@@H](CO)[N@@H+]1CC=C(C)CC1 649396888 410194319 /nfs/dbraw/zinc/19/43/19/410194319.db2.gz WYFOKDAUSCKCRL-LLVKDONJSA-N 1 1 181.279 1.575 10 30 ADEEMO C=C(C)[C@H](CO)[N@H+]1CC[C@H](C2CC2)C1 649402970 410195228 /nfs/dbraw/zinc/19/52/28/410195228.db2.gz OQWLAMCWIRXZHL-RYUDHWBXSA-N 1 1 195.306 1.655 10 30 ADEEMO C=C(C)[C@@H](CO)[N@H+]1CC[C@@H](C2CC2)C1 649402971 410195388 /nfs/dbraw/zinc/19/53/88/410195388.db2.gz OQWLAMCWIRXZHL-VXGBXAGGSA-N 1 1 195.306 1.655 10 30 ADEEMO C=CC[N@@H+](C[C@H]1COCCO1)C1CC1 649407395 410196156 /nfs/dbraw/zinc/19/61/56/410196156.db2.gz GWSNWOUEONAUBR-NSHDSACASA-N 1 1 197.278 1.052 10 30 ADEEMO C=C(C)[C@@H](CO)[N@H+]1CC[C@H](C2CC2)C1 649402969 410196791 /nfs/dbraw/zinc/19/67/91/410196791.db2.gz OQWLAMCWIRXZHL-NWDGAFQWSA-N 1 1 195.306 1.655 10 30 ADEEMO C=CC[N@@H+](C[C@@H]1COCCO1)C1CC1 649407394 410197375 /nfs/dbraw/zinc/19/73/75/410197375.db2.gz GWSNWOUEONAUBR-LLVKDONJSA-N 1 1 197.278 1.052 10 30 ADEEMO C=C(C)[C@H](CO)[N@H+]1CC[C@@H](C2CC2)C1 649402968 410198003 /nfs/dbraw/zinc/19/80/03/410198003.db2.gz OQWLAMCWIRXZHL-NEPJUHHUSA-N 1 1 195.306 1.655 10 30 ADEEMO C=CCC[N@H+](C)C[C@H](O)CCC 649471417 410203916 /nfs/dbraw/zinc/20/39/16/410203916.db2.gz ANFJEPNAJKFFBD-SNVBAGLBSA-N 1 1 171.284 1.655 10 30 ADEEMO C=CCC[N@H+](C)C[C@@H](O)CCC 649471416 410204200 /nfs/dbraw/zinc/20/42/00/410204200.db2.gz ANFJEPNAJKFFBD-JTQLQIEISA-N 1 1 171.284 1.655 10 30 ADEEMO C=CC[N@@H+](C)CCc1cscn1 649455705 410204242 /nfs/dbraw/zinc/20/42/42/410204242.db2.gz APLMIANNBOGWGP-UHFFFAOYSA-N 1 1 182.292 1.803 10 30 ADEEMO C=CC[N@H+](C)C[C@H](O)CCC 649455714 410204750 /nfs/dbraw/zinc/20/47/50/410204750.db2.gz GOPGIBPRXBDXKE-SECBINFHSA-N 1 1 157.257 1.265 10 30 ADEEMO C=CC[N@H+](C)C[C@@H](O)CCC 649455715 410204807 /nfs/dbraw/zinc/20/48/07/410204807.db2.gz GOPGIBPRXBDXKE-VIFPVBQESA-N 1 1 157.257 1.265 10 30 ADEEMO C=CC[N@H+](C)CC1CCC(=O)CC1 649455709 410205195 /nfs/dbraw/zinc/20/51/95/410205195.db2.gz DAMLPHFGPNAYLM-UHFFFAOYSA-N 1 1 181.279 1.864 10 30 ADEEMO C=CCN(CC=C)C[C@H]1CCC[N@@H+]1C 649486169 410208122 /nfs/dbraw/zinc/20/81/22/410208122.db2.gz ADHDHOFECLQHCY-GFCCVEGCSA-N 1 1 194.322 1.755 10 30 ADEEMO CC#CC[N@@H+](C)CCc1cscn1 649655364 410222082 /nfs/dbraw/zinc/22/20/82/410222082.db2.gz CZEKMFICIKHTEW-UHFFFAOYSA-N 1 1 194.303 1.641 10 30 ADEEMO COCC#CC[N@H+]1CCC12CCCC2 649657915 410223120 /nfs/dbraw/zinc/22/31/20/410223120.db2.gz QXILESMFZQOIMN-UHFFFAOYSA-N 1 1 193.290 1.655 10 30 ADEEMO C=CCC[N@H+](C(C)C)C1COC1 649694054 410225855 /nfs/dbraw/zinc/22/58/55/410225855.db2.gz FFNZHMFCTGZBMQ-UHFFFAOYSA-N 1 1 169.268 1.672 10 30 ADEEMO C=C(C)C[N@H+](C(C)C)C1COC1 649693300 410226614 /nfs/dbraw/zinc/22/66/14/410226614.db2.gz ADNJYXWVLKZHCD-UHFFFAOYSA-N 1 1 169.268 1.672 10 30 ADEEMO C=C(C)CC[N@@H+](C1CC1)C1COC1 649697979 410226693 /nfs/dbraw/zinc/22/66/93/410226693.db2.gz GHBBZGCRKSGJDW-UHFFFAOYSA-N 1 1 181.279 1.816 10 30 ADEEMO C=C(C)C[N@@H+](C1CC1)C1COC1 649694910 410226779 /nfs/dbraw/zinc/22/67/79/410226779.db2.gz GGNIQOLMVKZZAR-UHFFFAOYSA-N 1 1 167.252 1.426 10 30 ADEEMO C=C(CC)C[N@@H+](C1CC1)C1COC1 649697970 410226800 /nfs/dbraw/zinc/22/68/00/410226800.db2.gz FRHXESYPOUNVAD-UHFFFAOYSA-N 1 1 181.279 1.816 10 30 ADEEMO CC#CC[N@@H+]1C[C@@H](CC)OC[C@@H]1CC 649718742 410227873 /nfs/dbraw/zinc/22/78/73/410227873.db2.gz FVKZPOZIZZCXNF-NWDGAFQWSA-N 1 1 195.306 1.899 10 30 ADEEMO CC#CC[N@@H+]1C[C@H](CC)OC[C@@H]1CC 649718743 410227894 /nfs/dbraw/zinc/22/78/94/410227894.db2.gz FVKZPOZIZZCXNF-RYUDHWBXSA-N 1 1 195.306 1.899 10 30 ADEEMO CC#CC[N@@H+]1C[C@@H](CC)OC[C@H]1CC 649718744 410227913 /nfs/dbraw/zinc/22/79/13/410227913.db2.gz FVKZPOZIZZCXNF-VXGBXAGGSA-N 1 1 195.306 1.899 10 30 ADEEMO CC#CC[N@H+]1CCC[C@H](OC(C)C)C1 649700443 410230126 /nfs/dbraw/zinc/23/01/26/410230126.db2.gz DIUDGKBUAIZQPJ-LBPRGKRZSA-N 1 1 195.306 1.899 10 30 ADEEMO CC#CC[N@@H+]1C[C@H](CC)OC[C@H]1CC 649718741 410230186 /nfs/dbraw/zinc/23/01/86/410230186.db2.gz FVKZPOZIZZCXNF-NEPJUHHUSA-N 1 1 195.306 1.899 10 30 ADEEMO CC#CC[N@H+]1CCC[C@@H](OC(C)C)C1 649700442 410230670 /nfs/dbraw/zinc/23/06/70/410230670.db2.gz DIUDGKBUAIZQPJ-GFCCVEGCSA-N 1 1 195.306 1.899 10 30 ADEEMO CC#CC[N@H+](CC)[C@H]1CCCOC1 649754934 410231671 /nfs/dbraw/zinc/23/16/71/410231671.db2.gz AJZAQTOMMTZPMO-NSHDSACASA-N 1 1 181.279 1.511 10 30 ADEEMO C=C(C)CC[N@@H+]1C[C@H](O)C[C@H]1COC 649744816 410231969 /nfs/dbraw/zinc/23/19/69/410231969.db2.gz OMHPCQIJKNFXBC-WDEREUQCSA-N 1 1 199.294 1.034 10 30 ADEEMO C=C(CC)C[N@H+]1C[C@H](O)C[C@H]1COC 649744790 410232516 /nfs/dbraw/zinc/23/25/16/410232516.db2.gz NWHBSHKVVOPLPA-WDEREUQCSA-N 1 1 199.294 1.034 10 30 ADEEMO C=CCCC[N@@H+]1C[C@H](O)C[C@H]1COC 649742988 410232762 /nfs/dbraw/zinc/23/27/62/410232762.db2.gz ZFXFTYBYSLGXBP-WDEREUQCSA-N 1 1 199.294 1.034 10 30 ADEEMO CC#CC[N@H+](CC)[C@@H]1CCCOC1 649754931 410232778 /nfs/dbraw/zinc/23/27/78/410232778.db2.gz AJZAQTOMMTZPMO-LLVKDONJSA-N 1 1 181.279 1.511 10 30 ADEEMO C=CCCCC[N@@H+]1CCOC[C@H](O)C1 649789542 410235872 /nfs/dbraw/zinc/23/58/72/410235872.db2.gz JFLHCXSHZGAEPQ-LLVKDONJSA-N 1 1 199.294 1.036 10 30 ADEEMO C=CCCCC[N@@H+]1CCOC[C@@H](O)C1 649789543 410236261 /nfs/dbraw/zinc/23/62/61/410236261.db2.gz JFLHCXSHZGAEPQ-NSHDSACASA-N 1 1 199.294 1.036 10 30 ADEEMO C=C(C)C[N@H+](C)CC(C)(C)CO 649801789 410236768 /nfs/dbraw/zinc/23/67/68/410236768.db2.gz HBVJMCVQEQVIEH-UHFFFAOYSA-N 1 1 171.284 1.513 10 30 ADEEMO C=C(C)C[N@H+](C)[C@@H](C)CCO 649864416 410239831 /nfs/dbraw/zinc/23/98/31/410239831.db2.gz BQLZSVVQNMZZJR-VIFPVBQESA-N 1 1 157.257 1.265 10 30 ADEEMO C=CC[N@@H+]1C[C@@H](C)OCC12CCC2 649824909 410240130 /nfs/dbraw/zinc/24/01/30/410240130.db2.gz OKHLMRVDNMAMGI-SNVBAGLBSA-N 1 1 181.279 1.816 10 30 ADEEMO CC#CC[N@H+]1C[C@@H](C)OCC12CCC2 649821749 410240216 /nfs/dbraw/zinc/24/02/16/410240216.db2.gz PFIOEVKRNAHTQG-LLVKDONJSA-N 1 1 193.290 1.653 10 30 ADEEMO C=CC[N@@H+]1C[C@H](C)OCC12CCC2 649824908 410240728 /nfs/dbraw/zinc/24/07/28/410240728.db2.gz OKHLMRVDNMAMGI-JTQLQIEISA-N 1 1 181.279 1.816 10 30 ADEEMO CC#CC[N@H+]1C[C@H](C)OCC12CCC2 649821750 410240980 /nfs/dbraw/zinc/24/09/80/410240980.db2.gz PFIOEVKRNAHTQG-NSHDSACASA-N 1 1 193.290 1.653 10 30 ADEEMO C=C(C)C[N@H+](C)[C@H](C)CCO 649864415 410241177 /nfs/dbraw/zinc/24/11/77/410241177.db2.gz BQLZSVVQNMZZJR-SECBINFHSA-N 1 1 157.257 1.265 10 30 ADEEMO C=CCCC[N@@H+]1CC[C@@H](F)C1 649943553 410246867 /nfs/dbraw/zinc/24/68/67/410246867.db2.gz GWZKVTFZZWYUHW-SECBINFHSA-N 1 1 157.232 1.996 10 30 ADEEMO C=CC[N@@H+]1CC[C@@]2(C1)CC2(F)F 649900317 410246332 /nfs/dbraw/zinc/24/63/32/410246332.db2.gz YERLBSBYJQAZQP-QMMMGPOBSA-N 1 1 173.206 1.904 10 30 ADEEMO C=CC[N@H+]1CC(C)(C)O[C@@H]2COC[C@H]21 649909585 410246380 /nfs/dbraw/zinc/24/63/80/410246380.db2.gz PRCAUWZPLJFTQW-NXEZZACHSA-N 1 1 197.278 1.051 10 30 ADEEMO C=CC[N@@H+]1CC(C)(C)O[C@@H]2COC[C@H]21 649909585 410246385 /nfs/dbraw/zinc/24/63/85/410246385.db2.gz PRCAUWZPLJFTQW-NXEZZACHSA-N 1 1 197.278 1.051 10 30 ADEEMO CC#CC[N@H+](C)Cc1ccc(C)cn1 649900468 410246498 /nfs/dbraw/zinc/24/64/98/410246498.db2.gz DSWRAALNOYBBSM-UHFFFAOYSA-N 1 1 188.274 1.845 10 30 ADEEMO CC#CC[N@@H+](C)Cc1ccc(C)cn1 649900468 410246503 /nfs/dbraw/zinc/24/65/03/410246503.db2.gz DSWRAALNOYBBSM-UHFFFAOYSA-N 1 1 188.274 1.845 10 30 ADEEMO CC#CC[N@H+]1CC[C@@]2(C1)CC2(F)F 649905131 410246740 /nfs/dbraw/zinc/24/67/40/410246740.db2.gz UESULBMNWXJIMI-VIFPVBQESA-N 1 1 185.217 1.741 10 30 ADEEMO C=CCCC[N@@H+]1CC[C@H](F)C1 649938224 410247719 /nfs/dbraw/zinc/24/77/19/410247719.db2.gz GWZKVTFZZWYUHW-VIFPVBQESA-N 1 1 157.232 1.996 10 30 ADEEMO C=CC[N@@H+]1CC[C@]2(C1)CC2(F)F 649900316 410248026 /nfs/dbraw/zinc/24/80/26/410248026.db2.gz YERLBSBYJQAZQP-MRVPVSSYSA-N 1 1 173.206 1.904 10 30 ADEEMO CC#CC[N@H+]1CC[C@]2(C1)CC2(F)F 649905130 410248138 /nfs/dbraw/zinc/24/81/38/410248138.db2.gz UESULBMNWXJIMI-SECBINFHSA-N 1 1 185.217 1.741 10 30 ADEEMO CC#CC[N@@H+]1CC[C@H](OCC)[C@H](C)C1 649990697 410249620 /nfs/dbraw/zinc/24/96/20/410249620.db2.gz HGWJUFKAPWOQQS-NEPJUHHUSA-N 1 1 195.306 1.757 10 30 ADEEMO CC#CC[N@@H+]1CC[C@H](OCC)[C@@H](C)C1 649990699 410249682 /nfs/dbraw/zinc/24/96/82/410249682.db2.gz HGWJUFKAPWOQQS-RYUDHWBXSA-N 1 1 195.306 1.757 10 30 ADEEMO CC#CC[N@@H+]1CC[C@@H](OCC)[C@@H](C)C1 649990698 410250644 /nfs/dbraw/zinc/25/06/44/410250644.db2.gz HGWJUFKAPWOQQS-NWDGAFQWSA-N 1 1 195.306 1.757 10 30 ADEEMO CC#CC[N@@H+]1CC[C@@H](OCC)[C@H](C)C1 649990700 410251685 /nfs/dbraw/zinc/25/16/85/410251685.db2.gz HGWJUFKAPWOQQS-VXGBXAGGSA-N 1 1 195.306 1.757 10 30 ADEEMO C=CCCC[N@@H+]1C[C@H]2CCN(C)[C@H]2C1 650039040 410254428 /nfs/dbraw/zinc/25/44/28/410254428.db2.gz FQRXFOOVNOBSCR-NEPJUHHUSA-N 1 1 194.322 1.589 10 30 ADEEMO C=C(C)CC[N@@H+]1CC[C@H](O)[C@H]1C 650083645 410255864 /nfs/dbraw/zinc/25/58/64/410255864.db2.gz MTULMKUTUFPCSH-ZJUUUORDSA-N 1 1 169.268 1.408 10 30 ADEEMO C=C(C)C[N@@H+]1CC[C@@H](O)[C@H]1C 650186796 410260240 /nfs/dbraw/zinc/26/02/40/410260240.db2.gz ACXAHPFKYINCTQ-RKDXNWHRSA-N 1 1 155.241 1.018 10 30 ADEEMO C=CCN1CC[N@@H+](CC=C)CC(C)C1 650210730 410260670 /nfs/dbraw/zinc/26/06/70/410260670.db2.gz CWSPTQLXZFJTEJ-UHFFFAOYSA-N 1 1 194.322 1.612 10 30 ADEEMO C=CCCC[N@@H+]1CC[C@@H](O)[C@H]1C 650187830 410260754 /nfs/dbraw/zinc/26/07/54/410260754.db2.gz BYUFQEVIUZHFMM-NXEZZACHSA-N 1 1 169.268 1.408 10 30 ADEEMO C=CC[N@@H+]1CCC[C@@H](COC)CC1 650336545 410263093 /nfs/dbraw/zinc/26/30/93/410263093.db2.gz CUFOYEZASSOHRV-LLVKDONJSA-N 1 1 183.295 1.921 10 30 ADEEMO CC#CC[N@@H+]1CCC[C@@H](COC)CC1 650338078 410263918 /nfs/dbraw/zinc/26/39/18/410263918.db2.gz XSWQEGVHKAKPNR-GFCCVEGCSA-N 1 1 195.306 1.758 10 30 ADEEMO CC#CC[N@@H+]1CCC[C@H](COC)CC1 650338079 410264414 /nfs/dbraw/zinc/26/44/14/410264414.db2.gz XSWQEGVHKAKPNR-LBPRGKRZSA-N 1 1 195.306 1.758 10 30 ADEEMO C=CC[N@@H+]1CCC[C@H](COC)CC1 650336546 410264774 /nfs/dbraw/zinc/26/47/74/410264774.db2.gz CUFOYEZASSOHRV-NSHDSACASA-N 1 1 183.295 1.921 10 30 ADEEMO C=CCC[N@H+](C)[C@@H]1CCN(C(C)C)C1 650350121 410267042 /nfs/dbraw/zinc/26/70/42/410267042.db2.gz GGQSZAAFNDUMRC-GFCCVEGCSA-N 1 1 196.338 1.977 10 30 ADEEMO C=CCCN(C)[C@@H]1CC[N@@H+](C(C)C)C1 650350121 410267046 /nfs/dbraw/zinc/26/70/46/410267046.db2.gz GGQSZAAFNDUMRC-GFCCVEGCSA-N 1 1 196.338 1.977 10 30 ADEEMO C=CCCN(C)[C@@H]1CC[N@H+](C(C)C)C1 650350121 410267051 /nfs/dbraw/zinc/26/70/51/410267051.db2.gz GGQSZAAFNDUMRC-GFCCVEGCSA-N 1 1 196.338 1.977 10 30 ADEEMO C=CCC[N@H+](C)[C@H]1CCN(C(C)C)C1 650350122 410267432 /nfs/dbraw/zinc/26/74/32/410267432.db2.gz GGQSZAAFNDUMRC-LBPRGKRZSA-N 1 1 196.338 1.977 10 30 ADEEMO C=CCCN(C)[C@H]1CC[N@@H+](C(C)C)C1 650350122 410267436 /nfs/dbraw/zinc/26/74/36/410267436.db2.gz GGQSZAAFNDUMRC-LBPRGKRZSA-N 1 1 196.338 1.977 10 30 ADEEMO C=CCCN(C)[C@H]1CC[N@H+](C(C)C)C1 650350122 410267440 /nfs/dbraw/zinc/26/74/40/410267440.db2.gz GGQSZAAFNDUMRC-LBPRGKRZSA-N 1 1 196.338 1.977 10 30 ADEEMO C[C@@](N)(C#N)CC[N@@H+]1CCC[C@H](F)C1 689397083 571980719 /nfs/dbraw/zinc/98/07/19/571980719.db2.gz BIKFGFAZOTZGEE-UWVGGRQHSA-N 1 1 199.273 1.051 10 30 ADEEMO C[C@@](N)(C#N)CC[N@H+]1CCC[C@H](F)C1 689397083 571980720 /nfs/dbraw/zinc/98/07/20/571980720.db2.gz BIKFGFAZOTZGEE-UWVGGRQHSA-N 1 1 199.273 1.051 10 30 ADEEMO C#C[C@@H]([NH2+]CCCN(C)C)C(C)C 300840127 571980723 /nfs/dbraw/zinc/98/07/23/571980723.db2.gz DCBNZKWEDWJZMK-LLVKDONJSA-N 1 1 182.311 1.186 10 30 ADEEMO C#C[C@@H](NCCC[NH+](C)C)C(C)C 300840127 571980726 /nfs/dbraw/zinc/98/07/26/571980726.db2.gz DCBNZKWEDWJZMK-LLVKDONJSA-N 1 1 182.311 1.186 10 30 ADEEMO C=CCNC[C@H](C)[N@@H+](C)C[C@@H]1C[C@@H]1C 82651998 572071338 /nfs/dbraw/zinc/07/13/38/572071338.db2.gz PQBOLAMPZDXUBC-SRVKXCTJSA-N 1 1 196.338 1.738 10 30 ADEEMO C#CCNC[C@H](C)[N@@H+](C)C[C@@H]1C[C@H]1C 82650604 572071391 /nfs/dbraw/zinc/07/13/91/572071391.db2.gz LRZLOHWQCXPNJG-WOPDTQHZSA-N 1 1 194.322 1.186 10 30 ADEEMO C#CC[NH2+]C[C@H](C)N(C)C[C@@H]1C[C@H]1C 82650604 572071393 /nfs/dbraw/zinc/07/13/93/572071393.db2.gz LRZLOHWQCXPNJG-WOPDTQHZSA-N 1 1 194.322 1.186 10 30 ADEEMO CCCc1[nH+]ccn1C[C@@H]1CO1 69963862 572164943 /nfs/dbraw/zinc/16/49/43/572164943.db2.gz UBRUTFHWVZJIHA-MRVPVSSYSA-N 1 1 166.224 1.234 10 30 ADEEMO C#CCN(C)C[C@@H]1CCC[N@@H+]1CC 86189769 572878971 /nfs/dbraw/zinc/87/89/71/572878971.db2.gz ZTTLFOBSNBWAOY-NSHDSACASA-N 1 1 180.295 1.036 10 30 ADEEMO N#CC[C@@H]([NH3+])c1cc2c([nH]1)CCCC2 104524435 572996242 /nfs/dbraw/zinc/99/62/42/572996242.db2.gz FTAWMTPFKFYMGI-SECBINFHSA-N 1 1 189.262 1.807 10 30 ADEEMO C[N@H+](CCC#N)C1CC(C(F)F)C1 308257349 573100799 /nfs/dbraw/zinc/10/07/99/573100799.db2.gz KJGAEGFCYRBVTK-UHFFFAOYSA-N 1 1 188.221 1.876 10 30 ADEEMO C[N@@H+](CCC#N)C1CC(C(F)F)C1 308257349 573100805 /nfs/dbraw/zinc/10/08/05/573100805.db2.gz KJGAEGFCYRBVTK-UHFFFAOYSA-N 1 1 188.221 1.876 10 30 ADEEMO CC[C@H](C#N)N1CC[N@@H+](CC)[C@H](C)C1 82478109 573059889 /nfs/dbraw/zinc/05/98/89/573059889.db2.gz UXXQJMCFOZWSBB-GHMZBOCLSA-N 1 1 195.310 1.315 10 30 ADEEMO N#Cc1cc2c3c(cnc2[nH]1)C[NH2+]CC3 259323768 573084212 /nfs/dbraw/zinc/08/42/12/573084212.db2.gz KJXSBUGPVUUBEB-UHFFFAOYSA-N 1 1 198.229 1.080 10 30 ADEEMO C=CCO[C@H](C)C[NH+]1CCC(=O)CC1 308512058 573166695 /nfs/dbraw/zinc/16/66/95/573166695.db2.gz COQMJXCMYXOEEQ-SNVBAGLBSA-N 1 1 197.278 1.242 10 30 ADEEMO Cc1c(N)cccc1[C@H]([NH3+])CC#N 104675331 573166782 /nfs/dbraw/zinc/16/67/82/573166782.db2.gz PYDDUXIERLUFBE-SNVBAGLBSA-N 1 1 175.235 1.491 10 30 ADEEMO C#CC[N@H+](CCO)[C@@H]1CC[C@@H](C)C1 308289681 573166835 /nfs/dbraw/zinc/16/68/35/573166835.db2.gz GGKKBZOVNMOJTF-GHMZBOCLSA-N 1 1 181.279 1.103 10 30 ADEEMO C[C@H]1CC[C@@H](CO)C[N@@H+]1[C@H](C)CC#N 688716739 573166936 /nfs/dbraw/zinc/16/69/36/573166936.db2.gz KOKZJUHPWHBZJL-HBNTYKKESA-N 1 1 196.294 1.381 10 30 ADEEMO C=C(C[C@@H]1CCC[N@@H+](C)C1)C(=O)OC 258238186 573183782 /nfs/dbraw/zinc/18/37/82/573183782.db2.gz PVYVCRIFHQRXBL-JTQLQIEISA-N 1 1 197.278 1.448 10 30 ADEEMO C=C(C)C[N@H+](C)CC1(CC)COC1 308294689 573183909 /nfs/dbraw/zinc/18/39/09/573183909.db2.gz JLCAWGRETYYRKY-UHFFFAOYSA-N 1 1 183.295 1.921 10 30 ADEEMO CC[C@H](C#N)[C@]1(O)CC[N@H+](C2CC2)C1 85882901 573184143 /nfs/dbraw/zinc/18/41/43/573184143.db2.gz VCGDKGDQAQTAIT-KOLCDFICSA-N 1 1 194.278 1.135 10 30 ADEEMO C[N@H+]1CC[C@](O)(C2(C#N)CCCC2)C1 85882825 573184207 /nfs/dbraw/zinc/18/42/07/573184207.db2.gz ZGVYMYKNXNIVIO-LLVKDONJSA-N 1 1 194.278 1.137 10 30 ADEEMO Cc1c[nH+]c(N)c(C[C@@H](C)C=O)c1 82765263 573184237 /nfs/dbraw/zinc/18/42/37/573184237.db2.gz MIJPWIUGTGUOBG-MRVPVSSYSA-N 1 1 178.235 1.350 10 30 ADEEMO CC[C@@H](C#N)[C@@]1(O)CCC[N@@H+](C)CC1 85895644 573199442 /nfs/dbraw/zinc/19/94/42/573199442.db2.gz WHCAEQNASDHWSY-WDEREUQCSA-N 1 1 196.294 1.383 10 30 ADEEMO C[C@H](C[C@@](C)([NH3+])C#N)n1cccn1 82795118 573199525 /nfs/dbraw/zinc/19/95/25/573199525.db2.gz VWBDQAPGRFSQHD-RKDXNWHRSA-N 1 1 178.239 1.075 10 30 ADEEMO Cc1ccn([C@@H](C)C[C@@](C)([NH3+])C#N)n1 82795420 573199587 /nfs/dbraw/zinc/19/95/87/573199587.db2.gz BYLZRIIIVHDIDO-VHSXEESVSA-N 1 1 192.266 1.384 10 30 ADEEMO CC(C)C[N@@H+](C)[C@@H](C)C[C@](C)(N)C#N 82794045 573200210 /nfs/dbraw/zinc/20/02/10/573200210.db2.gz LSMFAZWYLMLQCJ-QWRGUYRKSA-N 1 1 197.326 1.594 10 30 ADEEMO C[N@H+]1CCC[C@](O)(C(C)(C)C#N)CC1 85895626 573199852 /nfs/dbraw/zinc/19/98/52/573199852.db2.gz SKVFKFCHZZHVFT-LLVKDONJSA-N 1 1 196.294 1.383 10 30 ADEEMO CC[C@H](C#N)[C@@]1(O)CCC[N@@H+](C)CC1 85895645 573200072 /nfs/dbraw/zinc/20/00/72/573200072.db2.gz WHCAEQNASDHWSY-GHMZBOCLSA-N 1 1 196.294 1.383 10 30 ADEEMO C[C@@H](C[C@](C)([NH3+])C#N)n1cccn1 82795113 573200173 /nfs/dbraw/zinc/20/01/73/573200173.db2.gz VWBDQAPGRFSQHD-IUCAKERBSA-N 1 1 178.239 1.075 10 30 ADEEMO CC(C)[C@H](C#N)[C@@H]([NH3+])c1ccc[nH]1 259367345 573200364 /nfs/dbraw/zinc/20/03/64/573200364.db2.gz KKABKYRRHZWKIP-WCBMZHEXSA-N 1 1 177.251 1.810 10 30 ADEEMO CC(=O)C[C@H](C)[N@@H+](C)[C@@H](C)CC#N 82792686 573200461 /nfs/dbraw/zinc/20/04/61/573200461.db2.gz FSFWREZEZHPCLK-IUCAKERBSA-N 1 1 182.267 1.588 10 30 ADEEMO CC(=O)C[C@H](C)[N@H+](C)[C@@H](C)CC#N 82792686 573200467 /nfs/dbraw/zinc/20/04/67/573200467.db2.gz FSFWREZEZHPCLK-IUCAKERBSA-N 1 1 182.267 1.588 10 30 ADEEMO CC(C)CO[C@@H](C)C[C@](C)([NH3+])C#N 82795801 573200798 /nfs/dbraw/zinc/20/07/98/573200798.db2.gz GHNXEOFBBZACHR-UWVGGRQHSA-N 1 1 184.283 1.679 10 30 ADEEMO C[C@@H](C[C@@](C)([NH3+])C#N)n1cccn1 82795116 573200899 /nfs/dbraw/zinc/20/08/99/573200899.db2.gz VWBDQAPGRFSQHD-DTWKUNHWSA-N 1 1 178.239 1.075 10 30 ADEEMO C[C@@H](C[C@](C)(N)C#N)[N@H+]1CCC[C@H]1C 82793228 573200938 /nfs/dbraw/zinc/20/09/38/573200938.db2.gz CHICIEWZQWQKIY-VWYCJHECSA-N 1 1 195.310 1.490 10 30 ADEEMO C=CC[N@@H+]1CCC(C)(C)[C@H](O)C1 259371280 573202869 /nfs/dbraw/zinc/20/28/69/573202869.db2.gz VGRKGGZPPPGCKG-SECBINFHSA-N 1 1 169.268 1.265 10 30 ADEEMO C[NH2+]C[C@@H](C#N)c1ccco1 258583132 573202947 /nfs/dbraw/zinc/20/29/47/573202947.db2.gz MMMAINXRXXGCOW-SSDOTTSWSA-N 1 1 150.181 1.106 10 30 ADEEMO C[C@H](C[C@@](C)([NH3+])C#N)n1ccnc1 82802573 573203138 /nfs/dbraw/zinc/20/31/38/573203138.db2.gz VDCSHKXPSHXZSZ-RKDXNWHRSA-N 1 1 178.239 1.075 10 30 ADEEMO C#CC(C)(C)[NH2+]Cc1ccnc(C)n1 69679927 573203613 /nfs/dbraw/zinc/20/36/13/573203613.db2.gz IIICBZZPYZNBHA-UHFFFAOYSA-N 1 1 189.262 1.286 10 30 ADEEMO CS[C@@H](C)C[C@@](C)([NH3+])C#N 82797232 573205328 /nfs/dbraw/zinc/20/53/28/573205328.db2.gz UEPFBHLDBYUQRM-NKWVEPMBSA-N 1 1 158.270 1.369 10 30 ADEEMO C=CC[N@@H+](C(C)C)[C@@H](CN)C(C)C 132088229 573205356 /nfs/dbraw/zinc/20/53/56/573205356.db2.gz UEHVKJPKJBNMHZ-NSHDSACASA-N 1 1 184.327 1.866 10 30 ADEEMO C=CCN(C(C)C)[C@@H](C[NH3+])C(C)C 132088229 573205360 /nfs/dbraw/zinc/20/53/60/573205360.db2.gz UEHVKJPKJBNMHZ-NSHDSACASA-N 1 1 184.327 1.866 10 30 ADEEMO C[C@@H](C[C@@](C)([NH3+])C#N)n1ccnc1 82802572 573205656 /nfs/dbraw/zinc/20/56/56/573205656.db2.gz VDCSHKXPSHXZSZ-DTWKUNHWSA-N 1 1 178.239 1.075 10 30 ADEEMO N#C[C@@H]1C[C@@H]2CCC[C@H]2[NH2+]1 104706156 573205762 /nfs/dbraw/zinc/20/57/62/573205762.db2.gz ZYWCCQZJLJTZIP-BIIVOSGPSA-N 1 1 136.198 1.041 10 30 ADEEMO Cc1[nH+]ccn1[C@H](C)C[C@](C)(N)C#N 82802585 573205827 /nfs/dbraw/zinc/20/58/27/573205827.db2.gz ZEOVQKQQMUQSNQ-SCZZXKLOSA-N 1 1 192.266 1.384 10 30 ADEEMO C[NH2+][C@@H](c1cc[nH]c1)C1(C#N)CCC1 259375961 573208555 /nfs/dbraw/zinc/20/85/55/573208555.db2.gz LQOMJMWSCGXUTN-JTQLQIEISA-N 1 1 189.262 1.969 10 30 ADEEMO C=CCC[C@](C)([NH2+]CC)C(=O)OC 132091070 573208649 /nfs/dbraw/zinc/20/86/49/573208649.db2.gz DQEUYGWWVFZSOB-JTQLQIEISA-N 1 1 185.267 1.494 10 30 ADEEMO C=CC[N@@H+](C(C)C)[C@H](CN)C(C)C 132088032 573208750 /nfs/dbraw/zinc/20/87/50/573208750.db2.gz UEHVKJPKJBNMHZ-LLVKDONJSA-N 1 1 184.327 1.866 10 30 ADEEMO C=CCN(C(C)C)[C@H](C[NH3+])C(C)C 132088032 573208757 /nfs/dbraw/zinc/20/87/57/573208757.db2.gz UEHVKJPKJBNMHZ-LLVKDONJSA-N 1 1 184.327 1.866 10 30 ADEEMO C=CCC[C@](C)([NH2+]C)C(=O)OC 132092035 573208960 /nfs/dbraw/zinc/20/89/60/573208960.db2.gz FMLTVNPNDFJBIP-VIFPVBQESA-N 1 1 171.240 1.104 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1C[C@H](N)C(C)(C)C1 642876021 573208990 /nfs/dbraw/zinc/20/89/90/573208990.db2.gz MUBMNTQOCBOBTE-ZJUUUORDSA-N 1 1 182.311 1.620 10 30 ADEEMO C=CC[C@@H](C)N1C[C@H]([NH3+])C(C)(C)C1 642876021 573208995 /nfs/dbraw/zinc/20/89/95/573208995.db2.gz MUBMNTQOCBOBTE-ZJUUUORDSA-N 1 1 182.311 1.620 10 30 ADEEMO C=CC[N@@H+]1CC(C)(C)NC(=O)C1(C)C 259375380 573209292 /nfs/dbraw/zinc/20/92/92/573209292.db2.gz VPFCYSSSIICMBL-UHFFFAOYSA-N 1 1 196.294 1.161 10 30 ADEEMO C=CC[N@@H+]1CC[C@H](C(=O)OC)C1(C)C 259375574 573209318 /nfs/dbraw/zinc/20/93/18/573209318.db2.gz VRRIKRIVICXPEW-SECBINFHSA-N 1 1 197.278 1.446 10 30 ADEEMO CC[C@H](C#N)C[C@H]1CC[N@@H+](C)C1 259372875 573213264 /nfs/dbraw/zinc/21/32/64/573213264.db2.gz MVQMYTFCKNUMMP-VHSXEESVSA-N 1 1 166.268 1.878 10 30 ADEEMO C#C[C@H](C)[NH2+][C@@H](C)c1nccnc1C 235533451 573212760 /nfs/dbraw/zinc/21/27/60/573212760.db2.gz QPINUJSAOXJJJX-WPRPVWTQSA-N 1 1 189.262 1.457 10 30 ADEEMO C=CC[N@H+](C1CC1)[C@H](CN)C(C)C 132120609 573213009 /nfs/dbraw/zinc/21/30/09/573213009.db2.gz PMIHWBRLUAWQMP-LLVKDONJSA-N 1 1 182.311 1.620 10 30 ADEEMO C=CC[N@@H+](C1CC1)[C@H](CN)C(C)C 132120609 573213012 /nfs/dbraw/zinc/21/30/12/573213012.db2.gz PMIHWBRLUAWQMP-LLVKDONJSA-N 1 1 182.311 1.620 10 30 ADEEMO C[C@H]1C[C@]([NH3+])(C#N)CC[C@H]1C 82837999 573225459 /nfs/dbraw/zinc/22/54/59/573225459.db2.gz HSIVHQLUXOUPOE-VGMNWLOBSA-N 1 1 152.241 1.664 10 30 ADEEMO C[C@@H]1C[NH+]([C@@H](C)C#N)C[C@H]1C 86009950 573224751 /nfs/dbraw/zinc/22/47/51/573224751.db2.gz USCNHVWMNPFXSA-HLTSFMKQSA-N 1 1 152.241 1.486 10 30 ADEEMO C[C@@H]1C[N@@H+](C[C@@H](C)C#N)C[C@@H]1C 86009927 573224802 /nfs/dbraw/zinc/22/48/02/573224802.db2.gz WBPUMCCDWOEVFK-LPEHRKFASA-N 1 1 166.268 1.734 10 30 ADEEMO N#CC[C@H]([NH3+])c1ccc2ncoc2c1 259038949 573224842 /nfs/dbraw/zinc/22/48/42/573224842.db2.gz KLCUQZBEHCVYNT-QMMMGPOBSA-N 1 1 187.202 1.741 10 30 ADEEMO CC[C@H](C#N)[NH+]1C[C@@H](C)[C@H](C)C1 86009945 573225025 /nfs/dbraw/zinc/22/50/25/573225025.db2.gz ZSUUKEFTFDCXKQ-OPRDCNLKSA-N 1 1 166.268 1.876 10 30 ADEEMO C[N@H+]1CCC[C@@H](CC2(C#N)COC2)C1 259039098 573225070 /nfs/dbraw/zinc/22/50/70/573225070.db2.gz COJLLAGEEWJOLA-JTQLQIEISA-N 1 1 194.278 1.258 10 30 ADEEMO C=C(C[N@H+]1CC[C@@H](C)C1)C(=O)OCC 69907664 573225308 /nfs/dbraw/zinc/22/53/08/573225308.db2.gz RFMVLEOBNNQPNU-SECBINFHSA-N 1 1 197.278 1.448 10 30 ADEEMO C[C@@H]1C[N@H+](CC[C@](C)(N)C#N)C[C@@H]1C 86011788 573225609 /nfs/dbraw/zinc/22/56/09/573225609.db2.gz RVLRLRHYSGDJSH-AXFHLTTASA-N 1 1 195.310 1.205 10 30 ADEEMO CC[C@H](C#N)C[NH2+]Cc1ccncc1 258595918 573225634 /nfs/dbraw/zinc/22/56/34/573225634.db2.gz GZUICQDGLJZQJF-SNVBAGLBSA-N 1 1 189.262 1.721 10 30 ADEEMO C=CCN(C1CC1)[C@@H]1CC[C@H]1C[NH2+]C 132140296 573225799 /nfs/dbraw/zinc/22/57/99/573225799.db2.gz NEBAVQZXFNYDFP-CMPLNLGQSA-N 1 1 194.322 1.635 10 30 ADEEMO C=CCN(C1CC1)[C@H]1CC[C@H]1C[NH2+]C 132139880 573225840 /nfs/dbraw/zinc/22/58/40/573225840.db2.gz NEBAVQZXFNYDFP-JQWIXIFHSA-N 1 1 194.322 1.635 10 30 ADEEMO CCC#C[C@@H](C)[N@@H+](CC)C[C@H](C)O 308311031 573225872 /nfs/dbraw/zinc/22/58/72/573225872.db2.gz RJYNBDKKCKVDCW-MNOVXSKESA-N 1 1 183.295 1.491 10 30 ADEEMO C=CCN(CC(C)(C)C[NH2+]C)C1CC1 132137244 573229892 /nfs/dbraw/zinc/22/98/92/573229892.db2.gz ZUGAQVMHQNEHDA-UHFFFAOYSA-N 1 1 196.338 1.882 10 30 ADEEMO CN[C@](C)(C#N)C[NH+]1C[C@H](C)[C@@H](C)C1 86011732 573229923 /nfs/dbraw/zinc/22/99/23/573229923.db2.gz HPWRVHRNTWMUHE-GARJFASQSA-N 1 1 195.310 1.076 10 30 ADEEMO CNC(=[NH+]OC)c1ccc(C)cc1 238321145 573230004 /nfs/dbraw/zinc/23/00/04/573230004.db2.gz UNSSLBVNWBHJIM-UHFFFAOYSA-N 1 1 178.235 1.522 10 30 ADEEMO C[C@@H]1C[N@@H+]([C@@H](C)C/C(N)=N/O)C[C@@H]1C 86014790 573230023 /nfs/dbraw/zinc/23/00/23/573230023.db2.gz PWLOOGBCRHLDBY-YIZRAAEISA-N 1 1 199.298 1.099 10 30 ADEEMO CC[C@@H](C#N)[N@H+]1C[C@@H](C)[C@@H](C)C1 86009941 573230128 /nfs/dbraw/zinc/23/01/28/573230128.db2.gz ZSUUKEFTFDCXKQ-AEJSXWLSSA-N 1 1 166.268 1.876 10 30 ADEEMO CC[C@@H](C#N)[N@@H+]1C[C@@H](C)[C@@H](C)C1 86009941 573230136 /nfs/dbraw/zinc/23/01/36/573230136.db2.gz ZSUUKEFTFDCXKQ-AEJSXWLSSA-N 1 1 166.268 1.876 10 30 ADEEMO C[N@H+]1CC[C@H](C(C)(C)S)C1 259387046 573230478 /nfs/dbraw/zinc/23/04/78/573230478.db2.gz WOXMQFCBQXFIIL-ZETCQYMHSA-N 1 1 159.298 1.647 10 30 ADEEMO C=C(C)[C@H]([NH2+]CC)c1ncccn1 86027317 573237078 /nfs/dbraw/zinc/23/70/78/573237078.db2.gz VAUOBGCNXVSBNO-VIFPVBQESA-N 1 1 177.251 1.703 10 30 ADEEMO C[C@@H]1C[C@@H](C)CC([NH3+])(C#N)C1 82849690 573237157 /nfs/dbraw/zinc/23/71/57/573237157.db2.gz UCALXWMHSCMMML-HTQZYQBOSA-N 1 1 152.241 1.664 10 30 ADEEMO C=CCO[C@@H]1CC[N@H+](CC(=C)C)C1 308323571 573237381 /nfs/dbraw/zinc/23/73/81/573237381.db2.gz DEAKJVUIZVFENW-LLVKDONJSA-N 1 1 181.279 1.839 10 30 ADEEMO CC(C)(C#N)C[N@H+]1CC[C@H](CCO)C1 405090138 573237436 /nfs/dbraw/zinc/23/74/36/573237436.db2.gz PSGWICAJGUGZTA-SNVBAGLBSA-N 1 1 196.294 1.240 10 30 ADEEMO C=CC[NH2+]Cc1coc(C2CC2)n1 308323234 573237506 /nfs/dbraw/zinc/23/75/06/573237506.db2.gz CTHLDEQIBWJTPJ-UHFFFAOYSA-N 1 1 178.235 1.828 10 30 ADEEMO C=CCO[C@H]1CC[N@H+](CC(=C)C)C1 308323573 573239275 /nfs/dbraw/zinc/23/92/75/573239275.db2.gz DEAKJVUIZVFENW-NSHDSACASA-N 1 1 181.279 1.839 10 30 ADEEMO C[C@H](C#N)OCC[N@H+]1CC[C@@H](C)[C@H]1C 308527467 573239345 /nfs/dbraw/zinc/23/93/45/573239345.db2.gz BKOVJEUWRSFOKK-GMTAPVOTSA-N 1 1 196.294 1.645 10 30 ADEEMO C=CCN1CCC[NH2+]CC[C@@H]1C 259386819 573239407 /nfs/dbraw/zinc/23/94/07/573239407.db2.gz LNGHNNMPVUUWTP-JTQLQIEISA-N 1 1 168.284 1.246 10 30 ADEEMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1CC=O 308527491 573239437 /nfs/dbraw/zinc/23/94/37/573239437.db2.gz BLYWSYYOYNUBMI-GHMZBOCLSA-N 1 1 199.294 1.201 10 30 ADEEMO C[C@H]1CC[N@H+](CCO[C@H](C)C#N)[C@H]1C 308527466 573239488 /nfs/dbraw/zinc/23/94/88/573239488.db2.gz BKOVJEUWRSFOKK-AXFHLTTASA-N 1 1 196.294 1.645 10 30 ADEEMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1CC=O 308527492 573239581 /nfs/dbraw/zinc/23/95/81/573239581.db2.gz BLYWSYYOYNUBMI-MNOVXSKESA-N 1 1 199.294 1.201 10 30 ADEEMO CN(C)c1ccc([C@H]([NH3+])CC#N)cn1 238314830 573239785 /nfs/dbraw/zinc/23/97/85/573239785.db2.gz DWIQJCMAQAHOLZ-SECBINFHSA-N 1 1 190.250 1.061 10 30 ADEEMO C[C@@H]1CCC[C@@]([NH3+])(C#N)[C@@H]1C 82860120 573239820 /nfs/dbraw/zinc/23/98/20/573239820.db2.gz GIBUDXZPGXQGSK-IWSPIJDZSA-N 1 1 152.241 1.664 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@H](C(=O)OC)C1 715732566 573247704 /nfs/dbraw/zinc/24/77/04/573247704.db2.gz KJXSDUKUDYRXQU-UWVGGRQHSA-N 1 1 197.278 1.446 10 30 ADEEMO C[N@H+]1CCC[C@@H]1C(C)(C)C=O 642883260 573251779 /nfs/dbraw/zinc/25/17/79/573251779.db2.gz MHDJLUJNMXAFPS-MRVPVSSYSA-N 1 1 155.241 1.306 10 30 ADEEMO C=C(CO)[C@H]1CCCC[N@@H+]1C(C)C 258250943 573252063 /nfs/dbraw/zinc/25/20/63/573252063.db2.gz QRBABKOGISOULX-LLVKDONJSA-N 1 1 183.295 1.798 10 30 ADEEMO C=CC[N@H+](C)[C@H]1CCC[C@@H]1O 238329899 573271305 /nfs/dbraw/zinc/27/13/05/573271305.db2.gz WBYAOSRGQYDUSP-IUCAKERBSA-N 1 1 155.241 1.018 10 30 ADEEMO C[C@@H]([NH2+]CCCC#N)c1ccon1 308338104 573271631 /nfs/dbraw/zinc/27/16/31/573271631.db2.gz PCQUTZPAJJVUOP-MRVPVSSYSA-N 1 1 179.223 1.629 10 30 ADEEMO Cc1cc(O)ccc1/[NH+]=C/N(C)C 105592136 573271672 /nfs/dbraw/zinc/27/16/72/573271672.db2.gz HGBJHUOSCKXERA-YRNVUSSQSA-N 1 1 178.235 1.922 10 30 ADEEMO CC(C)[N@H+]1CCCC[C@@H]1CC#CC[NH3+] 258269126 573271844 /nfs/dbraw/zinc/27/18/44/573271844.db2.gz RSYXVRYCQUGLEA-LBPRGKRZSA-N 1 1 194.322 1.602 10 30 ADEEMO CC(=O)C1=CC(C)(C)C[N@@H+](C)C1 238329178 573272111 /nfs/dbraw/zinc/27/21/11/573272111.db2.gz IXZQVUMFYORPDB-UHFFFAOYSA-N 1 1 167.252 1.473 10 30 ADEEMO C#CC[N@H+](CCC#N)CC1CCC1 308337604 573273595 /nfs/dbraw/zinc/27/35/95/573273595.db2.gz OVUWXMANUDBQDB-UHFFFAOYSA-N 1 1 176.263 1.635 10 30 ADEEMO C#CC[N@@H+](CCC#N)CC1CCC1 308337604 573273602 /nfs/dbraw/zinc/27/36/02/573273602.db2.gz OVUWXMANUDBQDB-UHFFFAOYSA-N 1 1 176.263 1.635 10 30 ADEEMO C=C(CC=O)[C@H]1CCC[N@@H+]1CC 258271450 573273618 /nfs/dbraw/zinc/27/36/18/573273618.db2.gz RZVGXQDEHYLDCR-SNVBAGLBSA-N 1 1 167.252 1.616 10 30 ADEEMO C/N=C(\SC)[C@H]1CCC[N@@H+](C)C1 259401211 573273675 /nfs/dbraw/zinc/27/36/75/573273675.db2.gz YQEYOSOMQQCSAS-HHHOFRBGSA-N 1 1 186.324 1.720 10 30 ADEEMO CC(C)[N@H+]1CCCC[C@H]1CC#CC[NH3+] 258269123 573273883 /nfs/dbraw/zinc/27/38/83/573273883.db2.gz RSYXVRYCQUGLEA-GFCCVEGCSA-N 1 1 194.322 1.602 10 30 ADEEMO C=C(CC=O)[C@@H]1CCC[N@@H+]1CC 258271448 573273923 /nfs/dbraw/zinc/27/39/23/573273923.db2.gz RZVGXQDEHYLDCR-JTQLQIEISA-N 1 1 167.252 1.616 10 30 ADEEMO CCC[N@@H+](C[C@H](C)C#N)[C@@H]1CCOC1 308535523 573274583 /nfs/dbraw/zinc/27/45/83/573274583.db2.gz RSYKABMWLTUADY-GHMZBOCLSA-N 1 1 196.294 1.647 10 30 ADEEMO CNc1cc([C@@H]([NH3+])CC#N)ccn1 238330428 573276534 /nfs/dbraw/zinc/27/65/34/573276534.db2.gz WMUVMJOCNZSFLK-QMMMGPOBSA-N 1 1 176.223 1.037 10 30 ADEEMO CC[C@@H](C)[N@H+]1CCC[C@H](NCC#N)C1 259399558 573276907 /nfs/dbraw/zinc/27/69/07/573276907.db2.gz RJGFZIGKXUCQJY-MNOVXSKESA-N 1 1 195.310 1.362 10 30 ADEEMO C#CCC[N@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] 238330517 573276953 /nfs/dbraw/zinc/27/69/53/573276953.db2.gz ZNVHFRFNWQKBLC-WDEREUQCSA-N 1 1 180.295 1.211 10 30 ADEEMO C#CCCN(C)[C@@H]1CCCC[C@@H]1[NH3+] 238330517 573276960 /nfs/dbraw/zinc/27/69/60/573276960.db2.gz ZNVHFRFNWQKBLC-WDEREUQCSA-N 1 1 180.295 1.211 10 30 ADEEMO C[N@H+]1CCC[C@H]([C@]2(C)CO2)C1 259404157 573291584 /nfs/dbraw/zinc/29/15/84/573291584.db2.gz SHBUIJUKLKXPHG-IUCAKERBSA-N 1 1 155.241 1.117 10 30 ADEEMO CC[C@@H](C#N)[C@H]([NH2+]C)c1cc[nH]c1 259406207 573291683 /nfs/dbraw/zinc/29/16/83/573291683.db2.gz XGXFDTRYQQNTGS-WPRPVWTQSA-N 1 1 177.251 1.825 10 30 ADEEMO C=CC[C@H](C)[C@@H]([NH3+])C(C)(C)N(C)C 715758572 573294909 /nfs/dbraw/zinc/29/49/09/573294909.db2.gz RULAPZLHYXAVCD-VHSXEESVSA-N 1 1 184.327 1.866 10 30 ADEEMO C=CC[C@@H]1CC2(CC[N@@H+]1C)OCCO2 238335495 573295788 /nfs/dbraw/zinc/29/57/88/573295788.db2.gz MNYSPLBTORUQIP-SNVBAGLBSA-N 1 1 197.278 1.400 10 30 ADEEMO C=CC[C@@H](C)[C@H]([NH3+])C(C)(C)N(C)C 715758576 573295950 /nfs/dbraw/zinc/29/59/50/573295950.db2.gz RULAPZLHYXAVCD-ZJUUUORDSA-N 1 1 184.327 1.866 10 30 ADEEMO C=CC[N@H+]1C[C@H](C)NCC1(C)C 82935284 573298213 /nfs/dbraw/zinc/29/82/13/573298213.db2.gz MQDBRWBRJMCBPS-VIFPVBQESA-N 1 1 168.284 1.245 10 30 ADEEMO C=CC[N@@H+]1C[C@H](C)NCC1(C)C 82935284 573298219 /nfs/dbraw/zinc/29/82/19/573298219.db2.gz MQDBRWBRJMCBPS-VIFPVBQESA-N 1 1 168.284 1.245 10 30 ADEEMO CC#CC[NH2+][C@@H](CC)c1nccn1C 132348699 573298270 /nfs/dbraw/zinc/29/82/70/573298270.db2.gz CYEHSGWFDDUXLE-JTQLQIEISA-N 1 1 191.278 1.484 10 30 ADEEMO C[N@H+]1CC[C@H]([C@H]2C[C@@H]2C#N)C1 259075091 573298949 /nfs/dbraw/zinc/29/89/49/573298949.db2.gz IABDORMNKVBYRL-DJLDLDEBSA-N 1 1 150.225 1.098 10 30 ADEEMO CSc1ccc([C@H]([NH3+])C=O)cc1 259407249 573299068 /nfs/dbraw/zinc/29/90/68/573299068.db2.gz OKDYBMQFAXFZDS-SECBINFHSA-N 1 1 181.260 1.607 10 30 ADEEMO CC(C)[N@H+]1CCC[C@H](CC#CCO)C1 257998751 573299089 /nfs/dbraw/zinc/29/90/89/573299089.db2.gz AGEAMDFMPOVCQK-LBPRGKRZSA-N 1 1 195.306 1.493 10 30 ADEEMO CC1(C)C[N@@H+](CCC[C@H]2CO2)CCO1 308548282 573302851 /nfs/dbraw/zinc/30/28/51/573302851.db2.gz WNWVYZZFRVBHLC-JTQLQIEISA-N 1 1 199.294 1.276 10 30 ADEEMO C[N@H+]1CC[C@H]([C@@H](C#N)c2cc[nH]c2)C1 259078633 573303202 /nfs/dbraw/zinc/30/32/02/573303202.db2.gz IHMWSXPMGKSYQD-QWRGUYRKSA-N 1 1 189.262 1.574 10 30 ADEEMO C=CCC[C@@H](C)[N@@H+](C)[C@H](C)C(N)=O 308342684 573303526 /nfs/dbraw/zinc/30/35/26/573303526.db2.gz RYXMSBDEIQJSPR-RKDXNWHRSA-N 1 1 184.283 1.147 10 30 ADEEMO C[N@@H+](CCC[C@@H]1CO1)Cc1ccco1 308546532 573313271 /nfs/dbraw/zinc/31/32/71/573313271.db2.gz VXFNTXROPMNERB-LLVKDONJSA-N 1 1 195.262 1.890 10 30 ADEEMO C=C(CN)[C@H]1CCC[N@H+]1C(C)C 258001004 573313487 /nfs/dbraw/zinc/31/34/87/573313487.db2.gz AKGSTZDARFIHML-SNVBAGLBSA-N 1 1 168.284 1.374 10 30 ADEEMO C=C(CN)[C@H]1CCC[N@@H+]1C(C)C 258001004 573313491 /nfs/dbraw/zinc/31/34/91/573313491.db2.gz AKGSTZDARFIHML-SNVBAGLBSA-N 1 1 168.284 1.374 10 30 ADEEMO C[C@]1(O)CCC[N@@H+](CCC[C@H]2CO2)C1 308546402 573313661 /nfs/dbraw/zinc/31/36/61/573313661.db2.gz VRIQVKSDKLHOLY-QWRGUYRKSA-N 1 1 199.294 1.012 10 30 ADEEMO C=CC[N@H+]1CC[C@H](CCO)C(C)(C)C1 259413166 573313685 /nfs/dbraw/zinc/31/36/85/573313685.db2.gz YRKQASRHDVUDPB-LLVKDONJSA-N 1 1 197.322 1.903 10 30 ADEEMO C[NH2+][C@@H](c1cc[nH]c1)C(C)(C)C#N 259415540 573314712 /nfs/dbraw/zinc/31/47/12/573314712.db2.gz NHBURESTBWUCFE-VIFPVBQESA-N 1 1 177.251 1.825 10 30 ADEEMO CC[C@H](C#N)[C@H]([NH2+]C)c1ccncc1 259413128 573314743 /nfs/dbraw/zinc/31/47/43/573314743.db2.gz XTMUGBYDDJTDBX-KOLCDFICSA-N 1 1 189.262 1.892 10 30 ADEEMO C[C@@]1(O)CCC[N@@H+](CCC[C@H]2CO2)C1 308546403 573315115 /nfs/dbraw/zinc/31/51/15/573315115.db2.gz VRIQVKSDKLHOLY-WDEREUQCSA-N 1 1 199.294 1.012 10 30 ADEEMO C=CC[N@@H+]1CCC(C)(C)[C@@H](CO)C1 259417888 573324608 /nfs/dbraw/zinc/32/46/08/573324608.db2.gz ZEKZTAXQVCKVRV-SNVBAGLBSA-N 1 1 183.295 1.513 10 30 ADEEMO C=CCC[C@@H](C)[N@H+]1CC[C@@](C)(O)C1 308348535 573324719 /nfs/dbraw/zinc/32/47/19/573324719.db2.gz WYSJPJDPFIAXIA-GHMZBOCLSA-N 1 1 183.295 1.798 10 30 ADEEMO C=CCC[C@H](C)[N@H+]1CC[C@@](C)(O)C1 308348538 573325680 /nfs/dbraw/zinc/32/56/80/573325680.db2.gz WYSJPJDPFIAXIA-WDEREUQCSA-N 1 1 183.295 1.798 10 30 ADEEMO C=CCC[C@@H](C)[N@H+]1CC[C@](C)(O)C1 308348536 573325779 /nfs/dbraw/zinc/32/57/79/573325779.db2.gz WYSJPJDPFIAXIA-MNOVXSKESA-N 1 1 183.295 1.798 10 30 ADEEMO C=CCC[C@H](C)[N@H+]1CC[C@](C)(O)C1 308348537 573326183 /nfs/dbraw/zinc/32/61/83/573326183.db2.gz WYSJPJDPFIAXIA-QWRGUYRKSA-N 1 1 183.295 1.798 10 30 ADEEMO C[C@@H]1C[C@@H](C)[N@@H+](CC[C@@](C)(N)C#N)C1 222663525 573329024 /nfs/dbraw/zinc/32/90/24/573329024.db2.gz CSBCSJGILIYMCY-GMTAPVOTSA-N 1 1 195.310 1.348 10 30 ADEEMO C[N@H+]1CCC[C@@H](C(C)(C)C#N)C1 259084943 573329045 /nfs/dbraw/zinc/32/90/45/573329045.db2.gz IPRMAQBCHRXEHU-SECBINFHSA-N 1 1 166.268 1.878 10 30 ADEEMO [NH3+][C@@H](C=O)c1ccc2c(c1)CCC2 259418386 573329494 /nfs/dbraw/zinc/32/94/94/573329494.db2.gz OXDOAOGHQQCORB-NSHDSACASA-N 1 1 175.231 1.374 10 30 ADEEMO CC[N@@H+](CCC[C@H]1CO1)[C@@H]1CCOC1 308550406 573329553 /nfs/dbraw/zinc/32/95/53/573329553.db2.gz XJUCVEUCAFYIIE-MNOVXSKESA-N 1 1 199.294 1.276 10 30 ADEEMO [NH3+][C@H](C=O)c1ccc2c(c1)CCC2 259418383 573329844 /nfs/dbraw/zinc/32/98/44/573329844.db2.gz OXDOAOGHQQCORB-LLVKDONJSA-N 1 1 175.231 1.374 10 30 ADEEMO CC[N@@H+](CCC[C@H]1CO1)[C@H]1CCOC1 308550409 573329932 /nfs/dbraw/zinc/32/99/32/573329932.db2.gz XJUCVEUCAFYIIE-QWRGUYRKSA-N 1 1 199.294 1.276 10 30 ADEEMO CC[N@@H+](CCC[C@@H]1CO1)[C@@H]1CCOC1 308550404 573331557 /nfs/dbraw/zinc/33/15/57/573331557.db2.gz XJUCVEUCAFYIIE-GHMZBOCLSA-N 1 1 199.294 1.276 10 30 ADEEMO CO[C@@H]1CCC[C@@H]1[N@@H+](C)[C@@H](C)CC#N 308550555 573331755 /nfs/dbraw/zinc/33/17/55/573331755.db2.gz RQCFVSVJFPYOIH-GARJFASQSA-N 1 1 196.294 1.788 10 30 ADEEMO CC[N@@H+](CCC[C@@H]1CO1)[C@H]1CCOC1 308550411 573331869 /nfs/dbraw/zinc/33/18/69/573331869.db2.gz XJUCVEUCAFYIIE-WDEREUQCSA-N 1 1 199.294 1.276 10 30 ADEEMO CO[C@@H]1CCC[C@H]1[N@@H+](C)[C@@H](C)CC#N 308550557 573331895 /nfs/dbraw/zinc/33/18/95/573331895.db2.gz RQCFVSVJFPYOIH-HBNTYKKESA-N 1 1 196.294 1.788 10 30 ADEEMO CC(C)(C#N)[C@@H]([NH3+])c1cccnc1 259420001 573331953 /nfs/dbraw/zinc/33/19/53/573331953.db2.gz MRHYPVHGTSMKGH-VIFPVBQESA-N 1 1 175.235 1.631 10 30 ADEEMO C[N@H+]1CCC[C@H](C(=O)CCC#N)C1 259086162 573334223 /nfs/dbraw/zinc/33/42/23/573334223.db2.gz BLDHSUCSHUNWOZ-VIFPVBQESA-N 1 1 180.251 1.201 10 30 ADEEMO Cc1ccoc1C[N@@H+](C)C[C@H]1CO1 308346259 573334335 /nfs/dbraw/zinc/33/43/35/573334335.db2.gz VPTHLKOTYAHXOH-VIFPVBQESA-N 1 1 181.235 1.419 10 30 ADEEMO COCC1(C[N@H+](C)CCC#N)CCC1 308560725 573338034 /nfs/dbraw/zinc/33/80/34/573338034.db2.gz FAJKWISRGPUDIT-UHFFFAOYSA-N 1 1 196.294 1.649 10 30 ADEEMO COCC1(C[N@@H+](C)CCC#N)CCC1 308560725 573338041 /nfs/dbraw/zinc/33/80/41/573338041.db2.gz FAJKWISRGPUDIT-UHFFFAOYSA-N 1 1 196.294 1.649 10 30 ADEEMO C[NH2+][C@H](C=O)c1ccc(OC)c(F)c1 259423435 573338252 /nfs/dbraw/zinc/33/82/52/573338252.db2.gz NPBGYXJTAMJYGI-SECBINFHSA-N 1 1 197.209 1.294 10 30 ADEEMO C=CC[C@H](C)[N@@H+]1CCC[C@@H]1C#N 715775395 573342474 /nfs/dbraw/zinc/34/24/74/573342474.db2.gz SMBWMEVDLBJVQT-VHSXEESVSA-N 1 1 164.252 1.939 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CCC[C@@H]1C#N 715775395 573342479 /nfs/dbraw/zinc/34/24/79/573342479.db2.gz SMBWMEVDLBJVQT-VHSXEESVSA-N 1 1 164.252 1.939 10 30 ADEEMO CC#CCCCC[NH2+][C@@H](C)C(=O)OC 308556699 573347896 /nfs/dbraw/zinc/34/78/96/573347896.db2.gz ZRTZKLGPMRVEIC-JTQLQIEISA-N 1 1 197.278 1.331 10 30 ADEEMO C[N@@H+](CC(C)(C)O)[C@@H]1CCC[C@@H]1C#N 86273696 573347897 /nfs/dbraw/zinc/34/78/97/573347897.db2.gz FLTFWSILVGCCDH-NXEZZACHSA-N 1 1 196.294 1.381 10 30 ADEEMO CC[C@H](C(N)=NO)[N@@H+](C)CCC1CC1 308556351 573348158 /nfs/dbraw/zinc/34/81/58/573348158.db2.gz ZPAOFXUTWQLPGN-SECBINFHSA-N 1 1 199.298 1.243 10 30 ADEEMO C#CCC[N@@H+]1CC[C@H](OCC=C)C1 308324805 573348376 /nfs/dbraw/zinc/34/83/76/573348376.db2.gz DWXXTFRBNMWNOD-NSHDSACASA-N 1 1 179.263 1.287 10 30 ADEEMO C#CC[NH2+]Cc1ccc(COC)o1 308360847 573348644 /nfs/dbraw/zinc/34/86/44/573348644.db2.gz METQYMFWPTWIBU-UHFFFAOYSA-N 1 1 179.219 1.149 10 30 ADEEMO C=CCCC[N@H+]1C[C@@H](OC)C[C@@H]1CO 308561955 573357225 /nfs/dbraw/zinc/35/72/25/573357225.db2.gz FTSMLMKUPLUBGQ-MNOVXSKESA-N 1 1 199.294 1.034 10 30 ADEEMO CO[NH+]=Cc1ccc(N)c([N+](=O)[O-])c1 308561055 573357236 /nfs/dbraw/zinc/35/72/36/573357236.db2.gz FGXDOMKURLCNQK-UHFFFAOYSA-N 1 1 195.178 1.157 10 30 ADEEMO C=C(CCO)C[C@@H]1CCC[N@@H+]1CC 258294552 573357547 /nfs/dbraw/zinc/35/75/47/573357547.db2.gz UFXLQUHSDSUREB-NSHDSACASA-N 1 1 183.295 1.799 10 30 ADEEMO C=C(CC=O)C[C@@H]1CC[N@H+](C)C1 258009520 573357628 /nfs/dbraw/zinc/35/76/28/573357628.db2.gz AZLAGWLPBFXKLF-JTQLQIEISA-N 1 1 167.252 1.473 10 30 ADEEMO C=C(CCO)C[C@H]1CCC[N@@H+]1CC 258294549 573357865 /nfs/dbraw/zinc/35/78/65/573357865.db2.gz UFXLQUHSDSUREB-LLVKDONJSA-N 1 1 183.295 1.799 10 30 ADEEMO N#Cc1ccc(C[NH2+]C2COC2)s1 135562933 573357897 /nfs/dbraw/zinc/35/78/97/573357897.db2.gz UDRXVTOTGHIMGD-UHFFFAOYSA-N 1 1 194.259 1.108 10 30 ADEEMO N#Cc1ccc(F)c(C[NH2+]CCF)c1 308562296 573361752 /nfs/dbraw/zinc/36/17/52/573361752.db2.gz WQWGAPGWYXNERP-UHFFFAOYSA-N 1 1 196.200 1.756 10 30 ADEEMO CC[N@H+]1CC[C@H](C/C=C\CC=O)C1 258294447 573362134 /nfs/dbraw/zinc/36/21/34/573362134.db2.gz UEMGLAAJHYYKJH-BYCRGOAPSA-N 1 1 181.279 1.864 10 30 ADEEMO C[C@@H](C#N)OCC[N@H+]1CCCC1(C)C 308564228 573366607 /nfs/dbraw/zinc/36/66/07/573366607.db2.gz XQTFQNJRHXTGNG-JTQLQIEISA-N 1 1 196.294 1.789 10 30 ADEEMO CC(C)[N@H+]1CCCC[C@H]1C#CC=O 258318207 573366690 /nfs/dbraw/zinc/36/66/90/573366690.db2.gz VXHKSYNYTVVBFM-NSHDSACASA-N 1 1 179.263 1.452 10 30 ADEEMO Cc1cnccc1C[NH2+]C[C@@H](C)C#N 129761186 573366767 /nfs/dbraw/zinc/36/67/67/573366767.db2.gz CBRPDTUYJSRRPK-VIFPVBQESA-N 1 1 189.262 1.639 10 30 ADEEMO C=CC[N@H+](CCO)CC/C=C/CC 308370059 573370026 /nfs/dbraw/zinc/37/00/26/573370026.db2.gz PUYYPKUQUXNSGH-AATRIKPKSA-N 1 1 183.295 1.823 10 30 ADEEMO C[C@H](C#N)OCC[N@H+]1CCCC1(C)C 308564230 573370104 /nfs/dbraw/zinc/37/01/04/573370104.db2.gz XQTFQNJRHXTGNG-SNVBAGLBSA-N 1 1 196.294 1.789 10 30 ADEEMO C[N@H+]1CCCC[C@H]1CC#CC=O 258319975 573370149 /nfs/dbraw/zinc/37/01/49/573370149.db2.gz WASBEXWPPCIDBY-JTQLQIEISA-N 1 1 165.236 1.063 10 30 ADEEMO C=CC[N@H+](CCO)CC/C=C\CC 308370060 573370433 /nfs/dbraw/zinc/37/04/33/573370433.db2.gz PUYYPKUQUXNSGH-WAYWQWQTSA-N 1 1 183.295 1.823 10 30 ADEEMO C=C(CN)[C@H]1CCCC[N@H+]1C(C)C 258323794 573370506 /nfs/dbraw/zinc/37/05/06/573370506.db2.gz WIPQHQJPLZOQHJ-LLVKDONJSA-N 1 1 182.311 1.764 10 30 ADEEMO C=C(CN)[C@H]1CCCC[N@@H+]1C(C)C 258323794 573370511 /nfs/dbraw/zinc/37/05/11/573370511.db2.gz WIPQHQJPLZOQHJ-LLVKDONJSA-N 1 1 182.311 1.764 10 30 ADEEMO COC[C@@H](C)[N@H+](C)CC1(C#N)CC1 308366109 573371139 /nfs/dbraw/zinc/37/11/39/573371139.db2.gz OBXCKEYIIMWKIY-SECBINFHSA-N 1 1 182.267 1.257 10 30 ADEEMO COC[C@@H](C)[N@@H+](C)CC1(C#N)CC1 308366109 573371146 /nfs/dbraw/zinc/37/11/46/573371146.db2.gz OBXCKEYIIMWKIY-SECBINFHSA-N 1 1 182.267 1.257 10 30 ADEEMO CC(C)[N@H+]1CCCC[C@H]1CC#CCO 258319971 573371147 /nfs/dbraw/zinc/37/11/47/573371147.db2.gz WAQYJPYCIPCPIQ-LBPRGKRZSA-N 1 1 195.306 1.635 10 30 ADEEMO CCCC[N@@H+]1CCC[C@](N)(C#N)C1 259430365 573371315 /nfs/dbraw/zinc/37/13/15/573371315.db2.gz ULTOBSMOWMDSGD-JTQLQIEISA-N 1 1 181.283 1.103 10 30 ADEEMO CCCC[N@H+]1CCC[C@](N)(C#N)C1 259430365 573371321 /nfs/dbraw/zinc/37/13/21/573371321.db2.gz ULTOBSMOWMDSGD-JTQLQIEISA-N 1 1 181.283 1.103 10 30 ADEEMO COc1ccc([C@H]([NH3+])C=O)cc1F 259431639 573379527 /nfs/dbraw/zinc/37/95/27/573379527.db2.gz PMUHWMPLXBZFBQ-MRVPVSSYSA-N 1 1 183.182 1.033 10 30 ADEEMO COc1ccc([C@@H]([NH3+])C=O)cc1F 259431641 573379890 /nfs/dbraw/zinc/37/98/90/573379890.db2.gz PMUHWMPLXBZFBQ-QMMMGPOBSA-N 1 1 183.182 1.033 10 30 ADEEMO CNc1ccc([C@@H]([NH3+])CC#N)cc1 211709293 573379936 /nfs/dbraw/zinc/37/99/36/573379936.db2.gz JZSYHMUKAYVZKD-JTQLQIEISA-N 1 1 175.235 1.642 10 30 ADEEMO COc1ccccc1[C@](C)([NH3+])CC#N 238375772 573384500 /nfs/dbraw/zinc/38/45/00/573384500.db2.gz YHEVAXJYHBYDKO-LLVKDONJSA-N 1 1 190.246 1.783 10 30 ADEEMO CC[C@@H]1C[N@H+](C(C)C)C[C@@H]1NCC#N 308566627 573383869 /nfs/dbraw/zinc/38/38/69/573383869.db2.gz AUNFDDGHZQESNZ-MNOVXSKESA-N 1 1 195.310 1.218 10 30 ADEEMO C#Cc1cccc([C@@H]([NH3+])CC#N)c1 211717708 573384068 /nfs/dbraw/zinc/38/40/68/573384068.db2.gz PRNBVLPUMALONM-NSHDSACASA-N 1 1 170.215 1.581 10 30 ADEEMO CC[C@H]1C[N@H+](C(C)C)C[C@H]1NCC#N 308566629 573384287 /nfs/dbraw/zinc/38/42/87/573384287.db2.gz AUNFDDGHZQESNZ-WDEREUQCSA-N 1 1 195.310 1.218 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CC[C@@H](C#N)C1 715788936 573386451 /nfs/dbraw/zinc/38/64/51/573386451.db2.gz SLKUMWIJTYMKBM-ZJUUUORDSA-N 1 1 164.252 1.796 10 30 ADEEMO C=C[C@H](C)[C@@H]([NH2+]CCCC)C(=O)OC 308566982 573385795 /nfs/dbraw/zinc/38/57/95/573385795.db2.gz AZWNQBJTPGKEIY-VHSXEESVSA-N 1 1 199.294 1.740 10 30 ADEEMO C=C[C@@H](C)[C@@H]([NH2+]CCCC)C(=O)OC 308566979 573385880 /nfs/dbraw/zinc/38/58/80/573385880.db2.gz AZWNQBJTPGKEIY-NXEZZACHSA-N 1 1 199.294 1.740 10 30 ADEEMO C#CC[C@@H](CC)[NH2+]Cc1n[nH]cc1C 308567341 573386021 /nfs/dbraw/zinc/38/60/21/573386021.db2.gz BBMRQTYQYXRWTQ-SNVBAGLBSA-N 1 1 191.278 1.610 10 30 ADEEMO Cc1[nH+]cn2c1CCC[C@H]2C=O 107160311 573388441 /nfs/dbraw/zinc/38/84/41/573388441.db2.gz WOGCTXNIAPOCFK-QMMMGPOBSA-N 1 1 164.208 1.268 10 30 ADEEMO O=C[C@H]1CCCc2c[nH+]c(C3CC3)n21 107175475 573398594 /nfs/dbraw/zinc/39/85/94/573398594.db2.gz XBFMRGKZWICEBL-SNVBAGLBSA-N 1 1 190.246 1.837 10 30 ADEEMO CC[C@@H](C#N)C[N@@H+](C)C1CCOCC1 259094696 573398848 /nfs/dbraw/zinc/39/88/48/573398848.db2.gz WLCWBQNHRDFKDO-JTQLQIEISA-N 1 1 196.294 1.647 10 30 ADEEMO N#Cc1c(C[NH3+])noc1C1CCCC1 259610705 573399038 /nfs/dbraw/zinc/39/90/38/573399038.db2.gz GQWQZAKHDPWSKF-UHFFFAOYSA-N 1 1 191.234 1.663 10 30 ADEEMO C=CC[NH2+][C@@H]1CCN(C)C[C@H]1CCC 308573449 573399152 /nfs/dbraw/zinc/39/91/52/573399152.db2.gz CSIJSPHAQYIEKL-VXGBXAGGSA-N 1 1 196.338 1.882 10 30 ADEEMO C=CC[NH2+][C@H]1CCN(C)C[C@@H]1CCC 308573438 573399785 /nfs/dbraw/zinc/39/97/85/573399785.db2.gz CSIJSPHAQYIEKL-RYUDHWBXSA-N 1 1 196.338 1.882 10 30 ADEEMO C=C(C)C[N@H+]1C[C@@H](C)NC[C@H]1C 83118701 573406499 /nfs/dbraw/zinc/40/64/99/573406499.db2.gz WVQHPNSLXIGRNY-NXEZZACHSA-N 1 1 168.284 1.245 10 30 ADEEMO C=C(C)C[N@@H+]1C[C@@H](C)NC[C@H]1C 83118701 573406505 /nfs/dbraw/zinc/40/65/05/573406505.db2.gz WVQHPNSLXIGRNY-NXEZZACHSA-N 1 1 168.284 1.245 10 30 ADEEMO C[N@H+]1CCC[C@@H](C(=O)C2(C#N)CC2)C1 259095929 573406537 /nfs/dbraw/zinc/40/65/37/573406537.db2.gz GSZCKDUBTRNYNG-SECBINFHSA-N 1 1 192.262 1.201 10 30 ADEEMO Cc1[nH+]ccn1-c1cnccc1C#N 135617461 573406630 /nfs/dbraw/zinc/40/66/30/573406630.db2.gz MILDCTVVVGMFAV-UHFFFAOYSA-N 1 1 184.202 1.447 10 30 ADEEMO C#CCOC(=O)[C@@H](C)[NH2+]C(C)(C)CC 308577566 573412415 /nfs/dbraw/zinc/41/24/15/573412415.db2.gz FBMZKLWFRPWHGB-SECBINFHSA-N 1 1 197.278 1.330 10 30 ADEEMO C=CC[C@H](C)[C@H]([NH2+]CC)c1cnn[nH]1 715798656 573412659 /nfs/dbraw/zinc/41/26/59/573412659.db2.gz WRWPOTRRWGVEBK-WPRPVWTQSA-N 1 1 194.282 1.668 10 30 ADEEMO CCCOC(=O)CC[NH2+][C@@H](C)CC#N 308578675 573412691 /nfs/dbraw/zinc/41/26/91/573412691.db2.gz FPWJFGHUPFWUAC-VIFPVBQESA-N 1 1 198.266 1.221 10 30 ADEEMO C[C@@H]1C[C@H](CC#N)C[N@H+]1C 107217562 573412717 /nfs/dbraw/zinc/41/27/17/573412717.db2.gz BSFHVYZXLPOXIT-SFYZADRCSA-N 1 1 138.214 1.240 10 30 ADEEMO C[C@@H]1C[C@H](CC#N)CC[N@H+]1C 107219025 573417054 /nfs/dbraw/zinc/41/70/54/573417054.db2.gz CBUDFQCJLVJTLG-RKDXNWHRSA-N 1 1 152.241 1.630 10 30 ADEEMO CC[C@@H]1C[C@H](C#N)CC[N@H+]1C 107218945 573417063 /nfs/dbraw/zinc/41/70/63/573417063.db2.gz PQPSIZARTYCBJF-RKDXNWHRSA-N 1 1 152.241 1.630 10 30 ADEEMO C[C@H]1[C@H](C#N)CC(C)(C)[N@H+]1C 107218977 573416423 /nfs/dbraw/zinc/41/64/23/573416423.db2.gz CYCPMVNWPCLBKT-YUMQZZPRSA-N 1 1 152.241 1.629 10 30 ADEEMO C=C(CCO)C[C@@H]1CCC[N@H+](C)C1 258335468 573416440 /nfs/dbraw/zinc/41/64/40/573416440.db2.gz XKBXWVMFWZMKEW-NSHDSACASA-N 1 1 183.295 1.657 10 30 ADEEMO CCO[C@]1(C=O)CCC[N@@H+](CC)C1 257810698 573416583 /nfs/dbraw/zinc/41/65/83/573416583.db2.gz APKAEHLVANKAIO-SNVBAGLBSA-N 1 1 185.267 1.076 10 30 ADEEMO CC[C@H]1C[C@@H](C#N)CC[N@H+]1C 107218956 573416620 /nfs/dbraw/zinc/41/66/20/573416620.db2.gz PQPSIZARTYCBJF-IUCAKERBSA-N 1 1 152.241 1.630 10 30 ADEEMO CC(C)[N@H+]1CCC[C@H]([C@H](F)C=O)C1 257810716 573416634 /nfs/dbraw/zinc/41/66/34/573416634.db2.gz AQGMOALKAFODFQ-VHSXEESVSA-N 1 1 187.258 1.644 10 30 ADEEMO CC(C)[N@H+]1CC[C@@H](C#N)[C@H]1C 107218960 573416699 /nfs/dbraw/zinc/41/66/99/573416699.db2.gz KZFVSZZEUGNESK-BDAKNGLRSA-N 1 1 152.241 1.629 10 30 ADEEMO C[N@H+]1CC[C@@H](CC#N)C1(C)C 107219039 573416867 /nfs/dbraw/zinc/41/68/67/573416867.db2.gz KQXWYKZZCKONGJ-MRVPVSSYSA-N 1 1 152.241 1.630 10 30 ADEEMO CC(C)[N@H+]1C[C@H](C#N)C[C@H]1C 107218991 573417176 /nfs/dbraw/zinc/41/71/76/573417176.db2.gz FDPCFSWKQTXIIS-BDAKNGLRSA-N 1 1 152.241 1.629 10 30 ADEEMO CC[C@@H]1[C@H](CC#N)CC[N@H+]1C 107218999 573416979 /nfs/dbraw/zinc/41/69/79/573416979.db2.gz VAVSKUXFNDVLDU-RKDXNWHRSA-N 1 1 152.241 1.630 10 30 ADEEMO C[C@@H]1[C@@H](CC#N)CCC[N@H+]1C 107219018 573419416 /nfs/dbraw/zinc/41/94/16/573419416.db2.gz YWMHTGGTMAJAQW-RKDXNWHRSA-N 1 1 152.241 1.630 10 30 ADEEMO CC(C)[C@H]1C[C@@H](C#N)C[N@H+]1C 107218941 573419486 /nfs/dbraw/zinc/41/94/86/573419486.db2.gz VVUDGCWRJDYGAZ-DTWKUNHWSA-N 1 1 152.241 1.486 10 30 ADEEMO C[C@H]1C[C@H](C#N)C[N@H+]1C1CC1 107218616 573419620 /nfs/dbraw/zinc/41/96/20/573419620.db2.gz PMNBHEAMNLUWAU-JGVFFNPUSA-N 1 1 150.225 1.383 10 30 ADEEMO CC(C)[N@H+]1C[C@H](C#N)C[C@@H]1C 107218993 573419645 /nfs/dbraw/zinc/41/96/45/573419645.db2.gz FDPCFSWKQTXIIS-IUCAKERBSA-N 1 1 152.241 1.629 10 30 ADEEMO N#C[C@H]1CCC[N@@H+](C2CC2)C1 107218627 573419714 /nfs/dbraw/zinc/41/97/14/573419714.db2.gz TVJBVCVZGNUPJL-MRVPVSSYSA-N 1 1 150.225 1.384 10 30 ADEEMO N#C[C@H]1CCC[N@H+](C2CC2)C1 107218627 573419719 /nfs/dbraw/zinc/41/97/19/573419719.db2.gz TVJBVCVZGNUPJL-MRVPVSSYSA-N 1 1 150.225 1.384 10 30 ADEEMO C[C@H]1[C@@H](C#N)CC(C)(C)[N@H+]1C 107218983 573419762 /nfs/dbraw/zinc/41/97/62/573419762.db2.gz CYCPMVNWPCLBKT-JGVFFNPUSA-N 1 1 152.241 1.629 10 30 ADEEMO CC[C@H]1[C@H](CC#N)CC[N@H+]1C 107219000 573419817 /nfs/dbraw/zinc/41/98/17/573419817.db2.gz VAVSKUXFNDVLDU-BDAKNGLRSA-N 1 1 152.241 1.630 10 30 ADEEMO C[C@@H]1[C@@H](C#N)CC(C)(C)[N@H+]1C 107218980 573419893 /nfs/dbraw/zinc/41/98/93/573419893.db2.gz CYCPMVNWPCLBKT-HTQZYQBOSA-N 1 1 152.241 1.629 10 30 ADEEMO CC[C@@H]1[C@@H](CC#N)CC[N@H+]1C 107219003 573419964 /nfs/dbraw/zinc/41/99/64/573419964.db2.gz VAVSKUXFNDVLDU-DTWKUNHWSA-N 1 1 152.241 1.630 10 30 ADEEMO C[N@H+]1CCC[C@@H](CC#N)CC1 107219011 573420014 /nfs/dbraw/zinc/42/00/14/573420014.db2.gz BICREXLTYRSHEY-VIFPVBQESA-N 1 1 152.241 1.632 10 30 ADEEMO N#CC[C@H]1CCC[N@H+](C2CC2)C1 107221470 573423678 /nfs/dbraw/zinc/42/36/78/573423678.db2.gz QWLOXXAUYGNONT-SECBINFHSA-N 1 1 164.252 1.774 10 30 ADEEMO C=C(CO)[C@H]1CCC[N@@H+]1CC 258026342 573420508 /nfs/dbraw/zinc/42/05/08/573420508.db2.gz BUCUYBYFTKSUSG-SECBINFHSA-N 1 1 155.241 1.019 10 30 ADEEMO CC(C)[C@@H]1[C@@H](CC#N)CC[N@H+]1C 107222366 573420754 /nfs/dbraw/zinc/42/07/54/573420754.db2.gz VBFQGGRANKIIEU-VHSXEESVSA-N 1 1 166.268 1.876 10 30 ADEEMO O=CCc1coc([C@@H]2CCCC[NH2+]2)n1 258023833 573420964 /nfs/dbraw/zinc/42/09/64/573420964.db2.gz JQDNTDHKIPRVPT-VIFPVBQESA-N 1 1 194.234 1.231 10 30 ADEEMO O=CCc1coc([C@H]2CCCC[NH2+]2)n1 258023831 573421039 /nfs/dbraw/zinc/42/10/39/573421039.db2.gz JQDNTDHKIPRVPT-SECBINFHSA-N 1 1 194.234 1.231 10 30 ADEEMO CC[C@H]1C[C@H](C#N)C[N@H+]1C1CC1 107221444 573423811 /nfs/dbraw/zinc/42/38/11/573423811.db2.gz MZQQMZMLAFPDRO-BDAKNGLRSA-N 1 1 164.252 1.773 10 30 ADEEMO CC(C)[C@@H]1[C@H](CC#N)CC[N@H+]1C 107222359 573423986 /nfs/dbraw/zinc/42/39/86/573423986.db2.gz VBFQGGRANKIIEU-NXEZZACHSA-N 1 1 166.268 1.876 10 30 ADEEMO CC[C@@H]1C[C@H](C#N)C[N@H+]1C1CC1 107221441 573424346 /nfs/dbraw/zinc/42/43/46/573424346.db2.gz MZQQMZMLAFPDRO-RKDXNWHRSA-N 1 1 164.252 1.773 10 30 ADEEMO CC1(C)C[C@@H](C#N)C[N@H+]1C1CC1 107221455 573424566 /nfs/dbraw/zinc/42/45/66/573424566.db2.gz GLWIACMEFGLMSL-QMMMGPOBSA-N 1 1 164.252 1.773 10 30 ADEEMO C[C@H]1C[C@@H](CC#N)C[N@H+]1C1CC1 107221467 573424741 /nfs/dbraw/zinc/42/47/41/573424741.db2.gz MXGHLDZDMFPYIA-DTWKUNHWSA-N 1 1 164.252 1.773 10 30 ADEEMO CC(C)[C@H]1[C@H](CC#N)CC[N@H+]1C 107222362 573424881 /nfs/dbraw/zinc/42/48/81/573424881.db2.gz VBFQGGRANKIIEU-ZJUUUORDSA-N 1 1 166.268 1.876 10 30 ADEEMO CC[C@@H]1C[C@@H](C#N)C[N@H+]1C1CC1 107221446 573425220 /nfs/dbraw/zinc/42/52/20/573425220.db2.gz MZQQMZMLAFPDRO-DTWKUNHWSA-N 1 1 164.252 1.773 10 30 ADEEMO C[N@H+]1CCC[C@@H](c2cc(C#N)n[nH]2)C1 259448039 573427428 /nfs/dbraw/zinc/42/74/28/573427428.db2.gz VSRGIBLDOAKCAF-MRVPVSSYSA-N 1 1 190.250 1.091 10 30 ADEEMO CC[N@H+]1CCC=C(CCS)C1 258029333 573427592 /nfs/dbraw/zinc/42/75/92/573427592.db2.gz KAJGXCYTPPUCFQ-UHFFFAOYSA-N 1 1 171.309 1.958 10 30 ADEEMO C[C@@H](O)CC[N@H+](CCC#N)C1CC1 133778134 573430680 /nfs/dbraw/zinc/43/06/80/573430680.db2.gz VNNAMEHQIIHUKH-SECBINFHSA-N 1 1 182.267 1.135 10 30 ADEEMO C[C@@H](O)CC[N@@H+](CCC#N)C1CC1 133778134 573430687 /nfs/dbraw/zinc/43/06/87/573430687.db2.gz VNNAMEHQIIHUKH-SECBINFHSA-N 1 1 182.267 1.135 10 30 ADEEMO C=CCN1CCC[NH2+]CC(C)(C)C1 259446732 573431123 /nfs/dbraw/zinc/43/11/23/573431123.db2.gz OYDQYALCTRBKSS-UHFFFAOYSA-N 1 1 182.311 1.494 10 30 ADEEMO C[C@@H](C#N)C[NH+]1CC=CC1 118879272 573434240 /nfs/dbraw/zinc/43/42/40/573434240.db2.gz BUOACVQFWVPMFJ-QMMMGPOBSA-N 1 1 136.198 1.018 10 30 ADEEMO CC[C@@H](CC#N)[NH+]1CC=CC1 118879298 573434802 /nfs/dbraw/zinc/43/48/02/573434802.db2.gz VUGCVRWDWBNTEG-VIFPVBQESA-N 1 1 150.225 1.550 10 30 ADEEMO C#CCC[N@@H+]1CCC[C@@H](C)[C@H]1CN 69726984 573434814 /nfs/dbraw/zinc/43/48/14/573434814.db2.gz JNWJGIVLPGERIV-GHMZBOCLSA-N 1 1 180.295 1.069 10 30 ADEEMO C#CCCN1CCC[C@@H](C)[C@H]1C[NH3+] 69726984 573434820 /nfs/dbraw/zinc/43/48/20/573434820.db2.gz JNWJGIVLPGERIV-GHMZBOCLSA-N 1 1 180.295 1.069 10 30 ADEEMO C[C@@H](CC#N)[NH+]1CC=CC1 118879179 573434839 /nfs/dbraw/zinc/43/48/39/573434839.db2.gz BPPMERFUULDLEV-QMMMGPOBSA-N 1 1 136.198 1.160 10 30 ADEEMO C[C@@]([NH3+])(C#N)CCCCOC1CCC1 50521415 573446782 /nfs/dbraw/zinc/44/67/82/573446782.db2.gz QLVGIMBXKZYZQX-NSHDSACASA-N 1 1 196.294 1.967 10 30 ADEEMO CC(C)(C)[N@@H+]1CCC[C@@](N)(C#N)C1 259452118 573446904 /nfs/dbraw/zinc/44/69/04/573446904.db2.gz PJGPDERHHXGCSC-SNVBAGLBSA-N 1 1 181.283 1.102 10 30 ADEEMO CC(C)(C)[N@H+]1CCC[C@@](N)(C#N)C1 259452118 573446909 /nfs/dbraw/zinc/44/69/09/573446909.db2.gz PJGPDERHHXGCSC-SNVBAGLBSA-N 1 1 181.283 1.102 10 30 ADEEMO C=CC[N@H+](CCO)CCSCC 126259996 573446431 /nfs/dbraw/zinc/44/64/31/573446431.db2.gz BFYRBWGKDCCQOS-UHFFFAOYSA-N 1 1 189.324 1.220 10 30 ADEEMO CC[N@H+]1CC[C@@H](C#N)C1(C)C 259450111 573446490 /nfs/dbraw/zinc/44/64/90/573446490.db2.gz PCKFYMPMUMXHDL-QMMMGPOBSA-N 1 1 152.241 1.630 10 30 ADEEMO C[C@@]([NH3+])(C#N)CCOC1CCC1 50521451 573446655 /nfs/dbraw/zinc/44/66/55/573446655.db2.gz ACRDNYCXAZBDHI-VIFPVBQESA-N 1 1 168.240 1.187 10 30 ADEEMO CC(C)[C@@H](C#N)[C@@H]([NH3+])c1ccncc1 259456271 573457907 /nfs/dbraw/zinc/45/79/07/573457907.db2.gz OMPBHZBAYAZANO-MNOVXSKESA-N 1 1 189.262 1.877 10 30 ADEEMO C=CCNCC[N@H+]1C[C@H]2CCC[C@H]2C1 126277979 573467976 /nfs/dbraw/zinc/46/79/76/573467976.db2.gz TZNYTBREVAUAOZ-TXEJJXNPSA-N 1 1 194.322 1.494 10 30 ADEEMO C=CCNCC[N@@H+]1C[C@H]2CCC[C@H]2C1 126277979 573467978 /nfs/dbraw/zinc/46/79/78/573467978.db2.gz TZNYTBREVAUAOZ-TXEJJXNPSA-N 1 1 194.322 1.494 10 30 ADEEMO C#CC[NH2+][C@@]1(CN)CC(C)(C)C[C@@H]1C 235600882 573468021 /nfs/dbraw/zinc/46/80/21/573468021.db2.gz SFDISRQTUKFDDN-CMPLNLGQSA-N 1 1 194.322 1.363 10 30 ADEEMO C=CCNCC[NH+]1C[C@H]2CCC[C@@H]2C1 126278227 573469311 /nfs/dbraw/zinc/46/93/11/573469311.db2.gz TZNYTBREVAUAOZ-VXGBXAGGSA-N 1 1 194.322 1.494 10 30 ADEEMO C=CC[NH+]1[C@H](C)CC(=O)C[C@H]1C 238409411 573470029 /nfs/dbraw/zinc/47/00/29/573470029.db2.gz KPRXIOSILLYHTP-RKDXNWHRSA-N 1 1 167.252 1.614 10 30 ADEEMO C=CCC[N@@H+]1CC[C@H](CCOC)C1 308392074 573473121 /nfs/dbraw/zinc/47/31/21/573473121.db2.gz BLJSSOGFLJZLMR-LLVKDONJSA-N 1 1 183.295 1.921 10 30 ADEEMO CC1=C(C#C[C@@H](C)O)C[C@H](C)[N@H+](C)C1 238411739 573473669 /nfs/dbraw/zinc/47/36/69/573473669.db2.gz XKXOUJDFKKJXDV-WDEREUQCSA-N 1 1 193.290 1.411 10 30 ADEEMO CC1=C(C#C[C@@H](C)O)C[C@@H](C)[N@H+](C)C1 238411753 573473782 /nfs/dbraw/zinc/47/37/82/573473782.db2.gz XKXOUJDFKKJXDV-GHMZBOCLSA-N 1 1 193.290 1.411 10 30 ADEEMO Cc1cc(C#N)c(C)c([C@@H](C)[NH3+])c1O 238412734 573473834 /nfs/dbraw/zinc/47/38/34/573473834.db2.gz JBKKVFGZWGTVGW-MRVPVSSYSA-N 1 1 190.246 1.900 10 30 ADEEMO C[NH2+][C@@H](S)c1ccc2[nH]cnc2c1 259100545 573473955 /nfs/dbraw/zinc/47/39/55/573473955.db2.gz AHDVAUVXOTVRCB-VIFPVBQESA-N 1 1 193.275 1.711 10 30 ADEEMO C[NH2+][C@H](C=O)c1ccc(F)c(C)c1 259463142 573474280 /nfs/dbraw/zinc/47/42/80/573474280.db2.gz PRACMPYRJCHKEW-SNVBAGLBSA-N 1 1 181.210 1.594 10 30 ADEEMO C#C[C@@H](C)[NH2+][C@](CN)(CCC)C1CC1 308594337 573474916 /nfs/dbraw/zinc/47/49/16/573474916.db2.gz QUTPKVUJEHXDCM-PWSUYJOCSA-N 1 1 194.322 1.505 10 30 ADEEMO C[NH2+][C@H](S)c1ccc2[nH]cnc2c1 259100542 573475268 /nfs/dbraw/zinc/47/52/68/573475268.db2.gz AHDVAUVXOTVRCB-SECBINFHSA-N 1 1 193.275 1.711 10 30 ADEEMO Cc1ccc(C[NH2+][C@H](C)CC#N)n1C 308593986 573475337 /nfs/dbraw/zinc/47/53/37/573475337.db2.gz XIGWOOMAMVPULI-SECBINFHSA-N 1 1 191.278 1.725 10 30 ADEEMO COc1ccc([C@@H]([NH3+])C=O)cc1Cl 259469168 573475446 /nfs/dbraw/zinc/47/54/46/573475446.db2.gz RODRAKIIOYUFDB-QMMMGPOBSA-N 1 1 199.637 1.547 10 30 ADEEMO COCCC[N@H+]1CCCC[C@@H]1CC#N 259100950 573479289 /nfs/dbraw/zinc/47/92/89/573479289.db2.gz ANASLFKIDQRUMN-LLVKDONJSA-N 1 1 196.294 1.791 10 30 ADEEMO [NH3+]CC#CC[N@H+]1CC[C@@H]2CCCC[C@H]21 717447398 573479476 /nfs/dbraw/zinc/47/94/76/573479476.db2.gz AVKSDFSHMKUPPG-NWDGAFQWSA-N 1 1 192.306 1.213 10 30 ADEEMO C[N@H+]1CC[C@@H](CC(F)(F)C=O)C1 257818358 573479513 /nfs/dbraw/zinc/47/95/13/573479513.db2.gz DXOPYGKUSOQEML-ZETCQYMHSA-N 1 1 177.194 1.162 10 30 ADEEMO CC[C@@H](CC#N)[N@H+]1CCC[C@@H]1CCO 308595128 573479934 /nfs/dbraw/zinc/47/99/34/573479934.db2.gz RJRSYCGFDGJFSP-WDEREUQCSA-N 1 1 196.294 1.525 10 30 ADEEMO CO[C@]1(CC=O)CCC[N@H+](C(C)C)C1 257818541 573485293 /nfs/dbraw/zinc/48/52/93/573485293.db2.gz CRILZNSMHORPHA-NSHDSACASA-N 1 1 199.294 1.465 10 30 ADEEMO COCC[C@@H]1CCC[C@@]1([NH3+])C#N 86534474 573485902 /nfs/dbraw/zinc/48/59/02/573485902.db2.gz HLMGUCTVLAEVIF-DTWKUNHWSA-N 1 1 168.240 1.044 10 30 ADEEMO CC#CC[NH2+][C@@](CN)(CCC)C1CC1 308599873 573486067 /nfs/dbraw/zinc/48/60/67/573486067.db2.gz UJFJGADKHAYHGO-GFCCVEGCSA-N 1 1 194.322 1.507 10 30 ADEEMO CSCC[C@H]1CCC[C@]1([NH3+])C#N 86535709 573486122 /nfs/dbraw/zinc/48/61/22/573486122.db2.gz FCULHBKZHIEOSW-BDAKNGLRSA-N 1 1 184.308 1.761 10 30 ADEEMO CC[C@H](C#N)[C@H](N)[C@H]1CCC[N@@H+](C)C1 259471296 573486257 /nfs/dbraw/zinc/48/62/57/573486257.db2.gz PDIGATXYJJMRIN-VWYCJHECSA-N 1 1 195.310 1.205 10 30 ADEEMO CC#CC[NH2+][C@](CN)(CCC)C1CC1 308599874 573486484 /nfs/dbraw/zinc/48/64/84/573486484.db2.gz UJFJGADKHAYHGO-LBPRGKRZSA-N 1 1 194.322 1.507 10 30 ADEEMO CSCC[C@@H]1CCC[C@]1([NH3+])C#N 86535708 573486559 /nfs/dbraw/zinc/48/65/59/573486559.db2.gz FCULHBKZHIEOSW-IUCAKERBSA-N 1 1 184.308 1.761 10 30 ADEEMO COc1cc([C@@H]([NH3+])CC#N)cs1 238416409 573486582 /nfs/dbraw/zinc/48/65/82/573486582.db2.gz KTBHWXJAGAXLEI-ZETCQYMHSA-N 1 1 182.248 1.670 10 30 ADEEMO C#C[C@@H](N[C@@H](C)C1C[NH2+]C1)C(C)(C)C 686245332 573491116 /nfs/dbraw/zinc/49/11/16/573491116.db2.gz BCKCLPOOMSOVGC-GXSJLCMTSA-N 1 1 194.322 1.232 10 30 ADEEMO CC(C)N[C@]1(C#N)CCC[N@@H+](C)CC1 83419522 573491247 /nfs/dbraw/zinc/49/12/47/573491247.db2.gz GGJOYBBLDZPZBX-LLVKDONJSA-N 1 1 195.310 1.362 10 30 ADEEMO C=C(CCO)[C@@H]1CCC[N@H+](CC)C1 258040371 573494149 /nfs/dbraw/zinc/49/41/49/573494149.db2.gz CNHUYJWCVZFGGO-LLVKDONJSA-N 1 1 183.295 1.657 10 30 ADEEMO CNc1cc(NCCS)[nH+]c(C)n1 258686777 573494665 /nfs/dbraw/zinc/49/46/65/573494665.db2.gz JGXWVOCPXYHGLL-UHFFFAOYSA-N 1 1 198.295 1.168 10 30 ADEEMO C[C@H]1CCC[C@]([NH3+])(C#N)CC1 83428297 573499706 /nfs/dbraw/zinc/49/97/06/573499706.db2.gz UGGBPQBQHYOBOQ-DTWKUNHWSA-N 1 1 152.241 1.808 10 30 ADEEMO C#CCN(CCC[NH2+]CC)CC1CC1 130246021 573499739 /nfs/dbraw/zinc/49/97/39/573499739.db2.gz MNNPZYSQAXSDMK-UHFFFAOYSA-N 1 1 194.322 1.331 10 30 ADEEMO CC[N@H+]1CCC[C@@H]1CC#CC(=O)OC 258047247 573499781 /nfs/dbraw/zinc/49/97/81/573499781.db2.gz CXCMQMVNUICJTA-JTQLQIEISA-N 1 1 195.262 1.037 10 30 ADEEMO C=CC[N@@H+]1C[C@@H](C#N)CC1(C)C 259474634 573499853 /nfs/dbraw/zinc/49/98/53/573499853.db2.gz RAGJFUGBGWFYTH-SECBINFHSA-N 1 1 164.252 1.796 10 30 ADEEMO C[C@@]1(F)CCC[N@@H+](CC=O)CC1 258044752 573499904 /nfs/dbraw/zinc/49/99/04/573499904.db2.gz JMPIQBXOBQIJLR-SECBINFHSA-N 1 1 173.231 1.399 10 30 ADEEMO C[N@H+]1CC[C@@H](c2csc(C#N)n2)C1 259109418 573500107 /nfs/dbraw/zinc/50/01/07/573500107.db2.gz FQTMDCBCMUEKQI-SSDOTTSWSA-N 1 1 193.275 1.434 10 30 ADEEMO COCC[C@@H]1CC[N@@H+](CCC#N)C1 308398872 573500795 /nfs/dbraw/zinc/50/07/95/573500795.db2.gz GDAMUPNOMZQLEK-JTQLQIEISA-N 1 1 182.267 1.258 10 30 ADEEMO C[N@H+]1CC[C@H](c2csc(C#N)n2)C1 259109422 573501113 /nfs/dbraw/zinc/50/11/13/573501113.db2.gz FQTMDCBCMUEKQI-ZETCQYMHSA-N 1 1 193.275 1.434 10 30 ADEEMO C[C@@H](C#N)N(C)C[C@H]1CCC[N@@H+](C)C1 258705255 573501263 /nfs/dbraw/zinc/50/12/63/573501263.db2.gz FBEMSPMJZKTJKQ-QWRGUYRKSA-N 1 1 195.310 1.172 10 30 ADEEMO CC[N@H+]1CC[C@H](C#N)[C@@H]1C 259110806 573508818 /nfs/dbraw/zinc/50/88/18/573508818.db2.gz BILULVPFXXAIOE-JGVFFNPUSA-N 1 1 138.214 1.240 10 30 ADEEMO CN1CCC[C@@H]([NH2+]CCCC#N)CC1 308610906 573519119 /nfs/dbraw/zinc/51/91/19/573519119.db2.gz QROMSOFATTUTRQ-LLVKDONJSA-N 1 1 195.310 1.364 10 30 ADEEMO C#CCN[C@H]1CC[N@H+](C)C[C@@H]1CCC 308605559 573519349 /nfs/dbraw/zinc/51/93/49/573519349.db2.gz PMPTUQIRXXLAKI-RYUDHWBXSA-N 1 1 194.322 1.330 10 30 ADEEMO C#CC[NH2+][C@H]1CCN(C)C[C@@H]1CCC 308605559 573519366 /nfs/dbraw/zinc/51/93/66/573519366.db2.gz PMPTUQIRXXLAKI-RYUDHWBXSA-N 1 1 194.322 1.330 10 30 ADEEMO C[C@@]12CCCC[C@@H]1C[C@@H](C#N)[NH2+]2 238429755 573532145 /nfs/dbraw/zinc/53/21/45/573532145.db2.gz LICCSIHLYINBBG-KXUCPTDWSA-N 1 1 164.252 1.821 10 30 ADEEMO CN[C@]1(C#N)CC[C@@H]([N@@H+](C)C2CC2)C1 86622758 573532149 /nfs/dbraw/zinc/53/21/49/573532149.db2.gz RGZAYNGRWNIWTM-GHMZBOCLSA-N 1 1 193.294 1.115 10 30 ADEEMO C[NH2+][C@@H](CC#N)c1cc[nH]c1 259490906 573532565 /nfs/dbraw/zinc/53/25/65/573532565.db2.gz RICYKTULEHPUPR-QMMMGPOBSA-N 1 1 149.197 1.189 10 30 ADEEMO C[N@H+]1CCC[C@@H]([C@H]2OC2(C)C)C1 259491785 573531963 /nfs/dbraw/zinc/53/19/63/573531963.db2.gz YYEUSLXBNALEPJ-RKDXNWHRSA-N 1 1 169.268 1.506 10 30 ADEEMO N#C[C@H](C[NH+]1CCC(F)CC1)C1CC1 689907968 573536979 /nfs/dbraw/zinc/53/69/79/573536979.db2.gz HGICYMMRQAXYBW-SNVBAGLBSA-N 1 1 196.269 1.970 10 30 ADEEMO C=C(C)C[N@@H+]1CCC[C@H]1[C@@H](C)O 238433970 573537195 /nfs/dbraw/zinc/53/71/95/573537195.db2.gz XGFWDGNQDBSNSV-ZJUUUORDSA-N 1 1 169.268 1.408 10 30 ADEEMO C[N@H+]1CC[C@H](c2c[nH]c(CS)n2)C1 259104181 573537256 /nfs/dbraw/zinc/53/72/56/573537256.db2.gz OKWZVTBFNUXDAP-ZETCQYMHSA-N 1 1 197.307 1.259 10 30 ADEEMO C#CCN(CCC)CC[C@H]1CCC[NH2+]1 130426469 573537267 /nfs/dbraw/zinc/53/72/67/573537267.db2.gz ODDKJXDOMNQMEO-GFCCVEGCSA-N 1 1 194.322 1.474 10 30 ADEEMO C=C(C)C[N@H+]1CCCC[C@]1(C)CO 306413438 573537529 /nfs/dbraw/zinc/53/75/29/573537529.db2.gz NGBPCSZHLTUNBH-LLVKDONJSA-N 1 1 183.295 1.799 10 30 ADEEMO C=C(C)C(=O)[C@@H]1C[N@H+](C(C)C)CCO1 86654928 573537740 /nfs/dbraw/zinc/53/77/40/573537740.db2.gz BTDKFQQUDNJOJW-JTQLQIEISA-N 1 1 197.278 1.241 10 30 ADEEMO C=C(C)C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 86654928 573537745 /nfs/dbraw/zinc/53/77/45/573537745.db2.gz BTDKFQQUDNJOJW-JTQLQIEISA-N 1 1 197.278 1.241 10 30 ADEEMO C=C(C)C[N@H+]1CCCC[C@@]1(C)CO 306413439 573538045 /nfs/dbraw/zinc/53/80/45/573538045.db2.gz NGBPCSZHLTUNBH-NSHDSACASA-N 1 1 183.295 1.799 10 30 ADEEMO C[N@H+]1CC[C@@H]2C[C@@H](C#N)CC[C@H]21 259495378 573538124 /nfs/dbraw/zinc/53/81/24/573538124.db2.gz AAYUKLUTJUQSDK-IVZWLZJFSA-N 1 1 164.252 1.630 10 30 ADEEMO CC(C)CC[N@@H+]1CCC[C@@](N)(C#N)C1 259493239 573538165 /nfs/dbraw/zinc/53/81/65/573538165.db2.gz SFFWRZHMWBLGGH-LLVKDONJSA-N 1 1 195.310 1.349 10 30 ADEEMO CC(C)CC[N@H+]1CCC[C@@](N)(C#N)C1 259493239 573538171 /nfs/dbraw/zinc/53/81/71/573538171.db2.gz SFFWRZHMWBLGGH-LLVKDONJSA-N 1 1 195.310 1.349 10 30 ADEEMO C#CCN(CCC)CC[C@H](C)[NH2+]CC 130427361 573538308 /nfs/dbraw/zinc/53/83/08/573538308.db2.gz NJCVFLRGDOCRQT-LBPRGKRZSA-N 1 1 196.338 1.720 10 30 ADEEMO C#CCN(C)C[C@H](C[NH3+])CC(C)C 130344696 573546247 /nfs/dbraw/zinc/54/62/47/573546247.db2.gz XECFIQYCDUBHFV-NSHDSACASA-N 1 1 182.311 1.172 10 30 ADEEMO [NH3+][C@@H](S)c1ccc2[nH]cnc2c1 259119507 573546849 /nfs/dbraw/zinc/54/68/49/573546849.db2.gz AJUZJRFUHRRUFL-QMMMGPOBSA-N 1 1 179.248 1.450 10 30 ADEEMO [NH3+][C@H](CS)c1ccc2nc[nH]c2c1 259111982 573550167 /nfs/dbraw/zinc/55/01/67/573550167.db2.gz KPSYSJSAPBPICL-SSDOTTSWSA-N 1 1 193.275 1.493 10 30 ADEEMO [NH3+][C@@H](CS)c1ccc2nc[nH]c2c1 259111984 573554755 /nfs/dbraw/zinc/55/47/55/573554755.db2.gz KPSYSJSAPBPICL-ZETCQYMHSA-N 1 1 193.275 1.493 10 30 ADEEMO C#CC[N@H+](CC)Cc1ccc(N)cn1 130360611 573554768 /nfs/dbraw/zinc/55/47/68/573554768.db2.gz LVLIKNLLUODHSI-UHFFFAOYSA-N 1 1 189.262 1.119 10 30 ADEEMO C[N@H+]1CC[C@H](C(C)(C)C#N)C1 259122900 573555125 /nfs/dbraw/zinc/55/51/25/573555125.db2.gz LGEKHHJEGFIQOY-QMMMGPOBSA-N 1 1 152.241 1.488 10 30 ADEEMO C=C(CC=O)[C@H]1CC[N@H+](CC)C1 258061234 573555465 /nfs/dbraw/zinc/55/54/65/573555465.db2.gz DUHUIRZJOYODBF-JTQLQIEISA-N 1 1 167.252 1.473 10 30 ADEEMO C[N@@H+]1C[C@H]2C[C@@H](C#N)CC[C@H]2C1 259509582 573560645 /nfs/dbraw/zinc/56/06/45/573560645.db2.gz BUANSMPBSWWUSV-LPEHRKFASA-N 1 1 164.252 1.488 10 30 ADEEMO N#CC1([C@@H]([NH3+])c2cccnc2)CC1 259509830 573560657 /nfs/dbraw/zinc/56/06/57/573560657.db2.gz RMXOAKLGAKUEAO-VIFPVBQESA-N 1 1 173.219 1.385 10 30 ADEEMO C[C@H]1C[C@H](CC=O)CC[N@H+]1C 107399094 573565419 /nfs/dbraw/zinc/56/54/19/573565419.db2.gz WSZHTQAPROWQLL-IUCAKERBSA-N 1 1 155.241 1.306 10 30 ADEEMO N#C[C@H]1CCC[C@@H]1[NH+]1CC2(CC2)C1 86681544 573565645 /nfs/dbraw/zinc/56/56/45/573565645.db2.gz ZHQONLGCZLRWMF-ZJUUUORDSA-N 1 1 176.263 1.774 10 30 ADEEMO CC[C@H](CC#N)[NH+]1CC(C)C1 86681475 573565722 /nfs/dbraw/zinc/56/57/22/573565722.db2.gz JBKUIUZRHQRIAK-SECBINFHSA-N 1 1 152.241 1.630 10 30 ADEEMO CCC1C[NH+](C[C@@H](C)C#N)C1 86681434 573565821 /nfs/dbraw/zinc/56/58/21/573565821.db2.gz LQIPUIYUGCPJQN-QMMMGPOBSA-N 1 1 152.241 1.488 10 30 ADEEMO CC(C)C1C[NH+]([C@@H](C)CC#N)C1 86681215 573565887 /nfs/dbraw/zinc/56/58/87/573565887.db2.gz IULOGOPXHNVYPR-VIFPVBQESA-N 1 1 166.268 1.876 10 30 ADEEMO CC1C[NH+](C[C@@H](C)C#N)C1 86681394 573566010 /nfs/dbraw/zinc/56/60/10/573566010.db2.gz GEEGLBVAWXWBCO-ZETCQYMHSA-N 1 1 138.214 1.098 10 30 ADEEMO CC(C)C[N@H+]1CC[C@@H](C#N)[C@H]1C 259112676 573568360 /nfs/dbraw/zinc/56/83/60/573568360.db2.gz BMCXPPWASRELFC-ZJUUUORDSA-N 1 1 166.268 1.876 10 30 ADEEMO C[C@H]1CC[N@H+]1C[C@@H](C)C#N 86681385 573568373 /nfs/dbraw/zinc/56/83/73/573568373.db2.gz QYLINWKBTJGQBX-YUMQZZPRSA-N 1 1 138.214 1.240 10 30 ADEEMO C[C@H]1CC[N@@H+]1C[C@@H](C)C#N 86681385 573568379 /nfs/dbraw/zinc/56/83/79/573568379.db2.gz QYLINWKBTJGQBX-YUMQZZPRSA-N 1 1 138.214 1.240 10 30 ADEEMO CC[C@H](CC#N)[N@H+]1CC[C@@H]1C 86681463 573568521 /nfs/dbraw/zinc/56/85/21/573568521.db2.gz YTEJKASQUTZJKJ-DTWKUNHWSA-N 1 1 152.241 1.773 10 30 ADEEMO C#C[C@@H](C)[NH2+]Cc1ccn(C(F)F)n1 308625483 573568603 /nfs/dbraw/zinc/56/86/03/573568603.db2.gz VUAZYIYNRKVTOT-SSDOTTSWSA-N 1 1 199.204 1.390 10 30 ADEEMO CC(C)C1C[NH+]([C@H](C)CC#N)C1 86681218 573568866 /nfs/dbraw/zinc/56/88/66/573568866.db2.gz IULOGOPXHNVYPR-SECBINFHSA-N 1 1 166.268 1.876 10 30 ADEEMO C[C@H]1CC[N@H+]1CCCCC#N 86681662 573568887 /nfs/dbraw/zinc/56/88/87/573568887.db2.gz KAFGWCHPFXWWLG-VIFPVBQESA-N 1 1 152.241 1.774 10 30 ADEEMO CC[C@H](CC#N)[NH+]1CC2(CC2)C1 86681467 573568924 /nfs/dbraw/zinc/56/89/24/573568924.db2.gz YBSNMEWMEHTCHQ-SECBINFHSA-N 1 1 164.252 1.774 10 30 ADEEMO C[N@H+]1CCC[C@H](n2cc(C#N)cn2)C1 257831849 573569870 /nfs/dbraw/zinc/56/98/70/573569870.db2.gz JNTSWXIUJRLQOB-JTQLQIEISA-N 1 1 190.250 1.021 10 30 ADEEMO C[C@H](C#N)C[N@H+]1CC=CCC1 75423202 573569933 /nfs/dbraw/zinc/56/99/33/573569933.db2.gz KDDPBLUVPWNRNC-SECBINFHSA-N 1 1 150.225 1.408 10 30 ADEEMO C[C@H](C#N)C[N@@H+]1CC=CCC1 75423202 573569940 /nfs/dbraw/zinc/56/99/40/573569940.db2.gz KDDPBLUVPWNRNC-SECBINFHSA-N 1 1 150.225 1.408 10 30 ADEEMO CC1=CC[N@H+](C[C@@H](C)C#N)CC1 75423251 573570051 /nfs/dbraw/zinc/57/00/51/573570051.db2.gz GDGVNWLRJWEBSL-JTQLQIEISA-N 1 1 164.252 1.798 10 30 ADEEMO CC1=CC[N@@H+](C[C@@H](C)C#N)CC1 75423251 573570057 /nfs/dbraw/zinc/57/00/57/573570057.db2.gz GDGVNWLRJWEBSL-JTQLQIEISA-N 1 1 164.252 1.798 10 30 ADEEMO CCC1C[NH+]([C@@H](C)CC#N)C1 86681229 573570063 /nfs/dbraw/zinc/57/00/63/573570063.db2.gz NMJLJNRORYUNAI-QMMMGPOBSA-N 1 1 152.241 1.630 10 30 ADEEMO CC(C)C[N@H+]1CC[C@H](C#N)[C@H]1C 259112668 573570065 /nfs/dbraw/zinc/57/00/65/573570065.db2.gz BMCXPPWASRELFC-NXEZZACHSA-N 1 1 166.268 1.876 10 30 ADEEMO CC1C[NH+]([C@@H](C)CC#N)C1 86681189 573570125 /nfs/dbraw/zinc/57/01/25/573570125.db2.gz VFYZEXVOHOBBCM-QMMMGPOBSA-N 1 1 138.214 1.240 10 30 ADEEMO C#C[C@@H](C)[NH2+]C(C)(C)CN1CCCC1 308633301 573570321 /nfs/dbraw/zinc/57/03/21/573570321.db2.gz JOUCLGBLYALLMS-LLVKDONJSA-N 1 1 194.322 1.472 10 30 ADEEMO C[C@H]1CC[N@H+]1CCCC#N 86681300 573570399 /nfs/dbraw/zinc/57/03/99/573570399.db2.gz CMIVSUNROSXGAE-QMMMGPOBSA-N 1 1 138.214 1.384 10 30 ADEEMO CNC(=[NH+]N)c1cc(C)c(C)s1 83631951 573573291 /nfs/dbraw/zinc/57/32/91/573573291.db2.gz XMMWENXRSUIPTH-UHFFFAOYSA-N 1 1 183.280 1.205 10 30 ADEEMO C[N@@H+](CC[C@@H]1CO1)Cc1ccncc1 308633758 573573610 /nfs/dbraw/zinc/57/36/10/573573610.db2.gz AHJAKXOKYDGALI-LLVKDONJSA-N 1 1 192.262 1.302 10 30 ADEEMO C[N@@H+](CCCS)CCc1cc[nH]c1 258787203 573576982 /nfs/dbraw/zinc/57/69/82/573576982.db2.gz CCRQFLYXOFPCHG-UHFFFAOYSA-N 1 1 198.335 1.809 10 30 ADEEMO C#CC[N@H+](CCC)C[C@@]1(C)CC[NH2+]C1 130434185 573577231 /nfs/dbraw/zinc/57/72/31/573577231.db2.gz RGUIKJJEUVCEKD-LBPRGKRZSA-N 1 1 194.322 1.331 10 30 ADEEMO C#CCN(CCC)C[C@@]1(C)CC[NH2+]C1 130434185 573577238 /nfs/dbraw/zinc/57/72/38/573577238.db2.gz RGUIKJJEUVCEKD-LBPRGKRZSA-N 1 1 194.322 1.331 10 30 ADEEMO Cc1ccc(C)c(C[N@H+](C)CC=O)c1 258795546 573577377 /nfs/dbraw/zinc/57/73/77/573577377.db2.gz CZNFSMRYRZIXFD-UHFFFAOYSA-N 1 1 191.274 1.934 10 30 ADEEMO Cc1ccc(C)c(C[N@@H+](C)CC=O)c1 258795546 573577383 /nfs/dbraw/zinc/57/73/83/573577383.db2.gz CZNFSMRYRZIXFD-UHFFFAOYSA-N 1 1 191.274 1.934 10 30 ADEEMO C[C@H]1C[C@H](CCC=O)CC[N@H+]1C 107405034 573577413 /nfs/dbraw/zinc/57/74/13/573577413.db2.gz IXXFFPSGQLWPNS-VHSXEESVSA-N 1 1 169.268 1.696 10 30 ADEEMO C[N@H+]1CCCC[C@@H](CCC=O)C1 107405029 573577577 /nfs/dbraw/zinc/57/75/77/573577577.db2.gz WRFONSMQUJXQOQ-JTQLQIEISA-N 1 1 169.268 1.697 10 30 ADEEMO C#CC[N@H+](CCC)C[C@H]1C[NH2+]C[C@@H]1C 130434665 573577597 /nfs/dbraw/zinc/57/75/97/573577597.db2.gz FRXCOIQRUJYPBN-NWDGAFQWSA-N 1 1 194.322 1.187 10 30 ADEEMO C#CCN(CCC)C[C@H]1C[NH2+]C[C@@H]1C 130434665 573577601 /nfs/dbraw/zinc/57/76/01/573577601.db2.gz FRXCOIQRUJYPBN-NWDGAFQWSA-N 1 1 194.322 1.187 10 30 ADEEMO C[C@@H](C=O)[C@H]1CCC[N@@H+](C)CC1 107405066 573577609 /nfs/dbraw/zinc/57/76/09/573577609.db2.gz MAOCDCSPPCNVNR-UWVGGRQHSA-N 1 1 169.268 1.553 10 30 ADEEMO C[N@H+]1CC[C@H](C(C)(C)CNCC#N)C1 258807026 573583791 /nfs/dbraw/zinc/58/37/91/573583791.db2.gz KPGHVRIFVHWVBB-JTQLQIEISA-N 1 1 195.310 1.077 10 30 ADEEMO C[N@H+]1CC[C@@H](C(C)(C)CNCC#N)C1 258807028 573585761 /nfs/dbraw/zinc/58/57/61/573585761.db2.gz KPGHVRIFVHWVBB-SNVBAGLBSA-N 1 1 195.310 1.077 10 30 ADEEMO C#CCN(CCC)CC[C@@H](C)[NH3+] 130450300 573585823 /nfs/dbraw/zinc/58/58/23/573585823.db2.gz OWYYPFHBCICEHQ-SNVBAGLBSA-N 1 1 168.284 1.069 10 30 ADEEMO C#CCCC[N@H+](C)Cc1cc[nH]n1 308404542 573587676 /nfs/dbraw/zinc/58/76/76/573587676.db2.gz IXHZQVMWVOVSHR-UHFFFAOYSA-N 1 1 177.251 1.255 10 30 ADEEMO COCC[N@H+]1CC[C@@H](C#N)C1(C)C 259521005 573590531 /nfs/dbraw/zinc/59/05/31/573590531.db2.gz VHMCLGRPWYNVBK-VIFPVBQESA-N 1 1 182.267 1.257 10 30 ADEEMO C[N@H+]1CC[C@@H](CC#N)[C@@H](F)C1 259521729 573590579 /nfs/dbraw/zinc/59/05/79/573590579.db2.gz AEXJWBGLZNXXQA-SFYZADRCSA-N 1 1 156.204 1.190 10 30 ADEEMO Cc1ccsc1[C@H]([NH3+])S 259117360 573590882 /nfs/dbraw/zinc/59/08/82/573590882.db2.gz AGPDEFPFFBKCJE-ZCFIWIBFSA-N 1 1 159.279 1.944 10 30 ADEEMO CCN(CC)[C@@H](C#N)[C@@H]1CC[N@@H+](C)C1 259519051 573592190 /nfs/dbraw/zinc/59/21/90/573592190.db2.gz ASFLCPFAFNGTIQ-MNOVXSKESA-N 1 1 195.310 1.172 10 30 ADEEMO C[C@]1(C#N)CC[C@@H]2CCC[N@@H+]21 238442935 573592196 /nfs/dbraw/zinc/59/21/96/573592196.db2.gz SLIFDAOEPBSZAV-DTWKUNHWSA-N 1 1 150.225 1.527 10 30 ADEEMO C[C@]1(C#N)CC[C@@H]2CCC[N@H+]21 238442935 573592200 /nfs/dbraw/zinc/59/22/00/573592200.db2.gz SLIFDAOEPBSZAV-DTWKUNHWSA-N 1 1 150.225 1.527 10 30 ADEEMO COCC[N@H+]1CC[C@H](C#N)C1(C)C 259521003 573592456 /nfs/dbraw/zinc/59/24/56/573592456.db2.gz VHMCLGRPWYNVBK-SECBINFHSA-N 1 1 182.267 1.257 10 30 ADEEMO C[N@H+]1CC[C@H](CC#N)[C@@H](F)C1 259521741 573592498 /nfs/dbraw/zinc/59/24/98/573592498.db2.gz AEXJWBGLZNXXQA-YUMQZZPRSA-N 1 1 156.204 1.190 10 30 ADEEMO C[C@@H](C#N)C[NH+]1CCC(CF)CC1 689908688 573594067 /nfs/dbraw/zinc/59/40/67/573594067.db2.gz JTJLISCWRAYJQK-VIFPVBQESA-N 1 1 184.258 1.828 10 30 ADEEMO C#CC[N@H+](CC)C[C@@](C)(O)C(C)C 308405435 573594118 /nfs/dbraw/zinc/59/41/18/573594118.db2.gz JLGHPSOEGUYFNE-LLVKDONJSA-N 1 1 183.295 1.349 10 30 ADEEMO CC1(C)CCC[N@@H+](C/C(N)=N/O)CC1 83680747 573594198 /nfs/dbraw/zinc/59/41/98/573594198.db2.gz GZNOPTAJPWFFRP-UHFFFAOYSA-N 1 1 199.298 1.245 10 30 ADEEMO CC(C)[N@H+]1CCC[C@@H]1CC#CC[NH3+] 258070778 573598092 /nfs/dbraw/zinc/59/80/92/573598092.db2.gz FHEYJSUFAZOJQE-NSHDSACASA-N 1 1 180.295 1.211 10 30 ADEEMO O=CCC[N@H+]1CCC[C@@H]2CCC[C@H]21 83701668 573598174 /nfs/dbraw/zinc/59/81/74/573598174.db2.gz XRQFHKMXCHWNDW-WDEREUQCSA-N 1 1 181.279 1.840 10 30 ADEEMO COc1cc(C#N)c2c[nH+]cn2c1 238457099 573598486 /nfs/dbraw/zinc/59/84/86/573598486.db2.gz UIFKNZDGBHFKGB-UHFFFAOYSA-N 1 1 173.175 1.215 10 30 ADEEMO N#CC1([C@H]([NH3+])c2cc[nH]c2)CC1 259526080 573601896 /nfs/dbraw/zinc/60/18/96/573601896.db2.gz SMVFVWBSMUBYEP-MRVPVSSYSA-N 1 1 161.208 1.318 10 30 ADEEMO Cc1ncc([C@H]2C[C@H](C#N)CC[NH2+]2)o1 259524678 573601959 /nfs/dbraw/zinc/60/19/59/573601959.db2.gz BDBNHQBLMULCRM-RKDXNWHRSA-N 1 1 191.234 1.547 10 30 ADEEMO C=C[C@@H](C)[NH2+]Cc1c[nH]c(C)n1 130488078 573601972 /nfs/dbraw/zinc/60/19/72/573601972.db2.gz ZCBZHMHCJXDNFZ-SSDOTTSWSA-N 1 1 165.240 1.382 10 30 ADEEMO C=C(C)CC[N@H+]1CCCO[C@H](CN)C1 313399282 573602548 /nfs/dbraw/zinc/60/25/48/573602548.db2.gz RWVAOUQPMDPXSK-LLVKDONJSA-N 1 1 198.310 1.002 10 30 ADEEMO C#CCCCC[NH2+][C@H](C)CCN(C)C 308648309 573606864 /nfs/dbraw/zinc/60/68/64/573606864.db2.gz IWQHCGOUHRYLQW-GFCCVEGCSA-N 1 1 196.338 1.720 10 30 ADEEMO N#CC1([C@@H]([NH3+])c2cc[nH]c2)CC1 259526082 573606949 /nfs/dbraw/zinc/60/69/49/573606949.db2.gz SMVFVWBSMUBYEP-QMMMGPOBSA-N 1 1 161.208 1.318 10 30 ADEEMO C#CCCCC[NH2+][C@@H](C)CCN(C)C 308648310 573607487 /nfs/dbraw/zinc/60/74/87/573607487.db2.gz IWQHCGOUHRYLQW-LBPRGKRZSA-N 1 1 196.338 1.720 10 30 ADEEMO C[C@H]1CC[C@]2(C#N)CCCC[N@@H+]12 75546428 573609804 /nfs/dbraw/zinc/60/98/04/573609804.db2.gz PKSZYSXOZFYIQK-UWVGGRQHSA-N 1 1 164.252 1.917 10 30 ADEEMO C[C@H](CN(C)C)[NH2+][C@@H]1CCC[C@@H]1C#N 130583985 573609966 /nfs/dbraw/zinc/60/99/66/573609966.db2.gz KJYLBKDDBQQQRC-GMTAPVOTSA-N 1 1 195.310 1.218 10 30 ADEEMO CC[C@@H](C#N)C(=O)[C@H]1CC[N@@H+](C)C1 259128197 573610128 /nfs/dbraw/zinc/61/01/28/573610128.db2.gz MHKMCVFPRGJAQY-IUCAKERBSA-N 1 1 180.251 1.057 10 30 ADEEMO C=CC[N@@H+]1CCC[C@H](N(C)CC#N)C1 259128967 573610202 /nfs/dbraw/zinc/61/02/02/573610202.db2.gz AJPLUMYEPFLKHF-NSHDSACASA-N 1 1 193.294 1.092 10 30 ADEEMO Cc1cc(C)c([C@H]([NH3+])C=O)cc1C 259528936 573610210 /nfs/dbraw/zinc/61/02/10/573610210.db2.gz WEVVGVZPTMNZNZ-LLVKDONJSA-N 1 1 177.247 1.811 10 30 ADEEMO CC[N@@H+]1CC=C(CCC=O)CC1 258068297 573610232 /nfs/dbraw/zinc/61/02/32/573610232.db2.gz MCDSPDIFDKSFGE-UHFFFAOYSA-N 1 1 167.252 1.618 10 30 ADEEMO CC(C)CCC[N@@H+](C)CC=O 258823263 573611803 /nfs/dbraw/zinc/61/18/03/573611803.db2.gz GKOSCJATZDEPPX-UHFFFAOYSA-N 1 1 157.257 1.553 10 30 ADEEMO C#CC[N@@H+](CCC)CCC1(O)CC1 308406209 573611117 /nfs/dbraw/zinc/61/11/17/573611117.db2.gz JUZIOVLSXGWIJO-UHFFFAOYSA-N 1 1 181.279 1.247 10 30 ADEEMO Cc1cc(C)c([C@@H]([NH3+])C=O)cc1C 259528937 573611318 /nfs/dbraw/zinc/61/13/18/573611318.db2.gz WEVVGVZPTMNZNZ-NSHDSACASA-N 1 1 177.247 1.811 10 30 ADEEMO C=C[C@@H](C)c1noc([C@@H]([NH3+])CC)n1 308649629 573611460 /nfs/dbraw/zinc/61/14/60/573611460.db2.gz JNVIROSFOCUOTC-RQJHMYQMSA-N 1 1 181.239 1.769 10 30 ADEEMO Cc1nc2c(o1)[C@@H](CCC#N)[NH2+]CC2 259535324 573629125 /nfs/dbraw/zinc/62/91/25/573629125.db2.gz CAIQVTMLPGUMEV-MRVPVSSYSA-N 1 1 191.234 1.474 10 30 ADEEMO Cc1nc2c(o1)[C@H](CCC#N)[NH2+]CC2 259535325 573629178 /nfs/dbraw/zinc/62/91/78/573629178.db2.gz CAIQVTMLPGUMEV-QMMMGPOBSA-N 1 1 191.234 1.474 10 30 ADEEMO C[C@@H](S)[C@H]1CC[N@@H+](C)C1 259143800 573632234 /nfs/dbraw/zinc/63/22/34/573632234.db2.gz HXUAZJJBSUGJMZ-RQJHMYQMSA-N 1 1 145.271 1.256 10 30 ADEEMO CCO[C@]1(CC=O)CC[N@H+](C(C)C)C1 257834472 573632329 /nfs/dbraw/zinc/63/23/29/573632329.db2.gz IIPCOYMQJNGKLH-NSHDSACASA-N 1 1 199.294 1.465 10 30 ADEEMO C#CC[N@H+](C)C[C@@H]1C[C@H](C)O[C@H]1C 686345387 573632378 /nfs/dbraw/zinc/63/23/78/573632378.db2.gz DJQARFQBZXJDSD-DCAQKATOSA-N 1 1 181.279 1.365 10 30 ADEEMO CCNC(=[NH+]N)c1cscc1C 86816915 573632446 /nfs/dbraw/zinc/63/24/46/573632446.db2.gz IITCRWNQZDPROM-UHFFFAOYSA-N 1 1 183.280 1.286 10 30 ADEEMO Cc1cscc1[C@@H]([NH3+])CC#N 238459737 573632459 /nfs/dbraw/zinc/63/24/59/573632459.db2.gz FQOOKKMAGZOTRD-QMMMGPOBSA-N 1 1 166.249 1.970 10 30 ADEEMO CCO[C@@]1(CC=O)CC[N@H+](C(C)C)C1 257834471 573632801 /nfs/dbraw/zinc/63/28/01/573632801.db2.gz IIPCOYMQJNGKLH-LLVKDONJSA-N 1 1 199.294 1.465 10 30 ADEEMO C[N@@H+](CC[C@@H]1CO1)C[C@@H]1CCCOC1 308651623 573638126 /nfs/dbraw/zinc/63/81/26/573638126.db2.gz KNUCZAPXMMFJDG-WDEREUQCSA-N 1 1 199.294 1.134 10 30 ADEEMO CC1=C2C[N@H+](C)C[C@H](C)[C@@H]2CC1=O 238460507 573638168 /nfs/dbraw/zinc/63/81/68/573638168.db2.gz TWJVOZFYPCHKQO-CBAPKCEASA-N 1 1 179.263 1.473 10 30 ADEEMO COCC[N@H+]1CC[C@@H](C#N)CC1(C)C 259536779 573638179 /nfs/dbraw/zinc/63/81/79/573638179.db2.gz WIYPHIRFNMDGIH-SNVBAGLBSA-N 1 1 196.294 1.647 10 30 ADEEMO C[N@@H+](CC[C@@H]1CO1)C[C@H]1CCCOC1 308651620 573638644 /nfs/dbraw/zinc/63/86/44/573638644.db2.gz KNUCZAPXMMFJDG-GHMZBOCLSA-N 1 1 199.294 1.134 10 30 ADEEMO OCC[N@@H+](CC[C@@H]1CO1)C1CCCC1 308651585 573638866 /nfs/dbraw/zinc/63/88/66/573638866.db2.gz KMRHGORZNMINOC-LLVKDONJSA-N 1 1 199.294 1.012 10 30 ADEEMO Cc1cccc(CC[N@@H+](C)CC=O)c1 258827236 573639029 /nfs/dbraw/zinc/63/90/29/573639029.db2.gz GSMULURSAVZXID-UHFFFAOYSA-N 1 1 191.274 1.668 10 30 ADEEMO Cc1cccc(CC[N@H+](C)CC=O)c1 258827236 573639034 /nfs/dbraw/zinc/63/90/34/573639034.db2.gz GSMULURSAVZXID-UHFFFAOYSA-N 1 1 191.274 1.668 10 30 ADEEMO C[N@@H+](CCCS)CCc1ccc[nH]1 258827289 573639172 /nfs/dbraw/zinc/63/91/72/573639172.db2.gz GTOAKWXQPAXZQA-UHFFFAOYSA-N 1 1 198.335 1.809 10 30 ADEEMO C=C(CO)[C@@H]1CCCC[N@@H+]1C 258081113 573656847 /nfs/dbraw/zinc/65/68/47/573656847.db2.gz FXPGNPWOCJDHQH-VIFPVBQESA-N 1 1 155.241 1.019 10 30 ADEEMO C[N@H+]1CCC[C@@H](n2nccc2C#N)C1 257844483 573663839 /nfs/dbraw/zinc/66/38/39/573663839.db2.gz NHBOWOOZOROFJJ-SNVBAGLBSA-N 1 1 190.250 1.021 10 30 ADEEMO SCNc1ccc2[nH]c[nH+]c2c1 258857671 573663865 /nfs/dbraw/zinc/66/38/65/573663865.db2.gz FCXSBKJJEFWXOR-UHFFFAOYSA-N 1 1 179.248 1.862 10 30 ADEEMO CCC[N@@H+](C)C[C@H](C#N)CC 258862522 573668788 /nfs/dbraw/zinc/66/87/88/573668788.db2.gz AQBQWXPISMUAPD-VIFPVBQESA-N 1 1 154.257 1.878 10 30 ADEEMO C[N@H+]1CC[C@@H](c2ccc(C#N)cn2)C1 259546035 573669073 /nfs/dbraw/zinc/66/90/73/573669073.db2.gz CDWNPKZZOCNBRV-SNVBAGLBSA-N 1 1 187.246 1.372 10 30 ADEEMO N#C[C@@H]1CCC[N@@H+]1CC1CCC1 83838978 573679361 /nfs/dbraw/zinc/67/93/61/573679361.db2.gz HLQBGMWZSLOTHW-JTQLQIEISA-N 1 1 164.252 1.774 10 30 ADEEMO N#C[C@@H]1CCC[N@H+]1CC1CCC1 83838978 573679367 /nfs/dbraw/zinc/67/93/67/573679367.db2.gz HLQBGMWZSLOTHW-JTQLQIEISA-N 1 1 164.252 1.774 10 30 ADEEMO COc1ccc([C@@H]([NH3+])C=O)cc1C 259549858 573679450 /nfs/dbraw/zinc/67/94/50/573679450.db2.gz XJZVZQOJKGMJFY-VIFPVBQESA-N 1 1 179.219 1.202 10 30 ADEEMO Cc1ccc(O)c2c1[C@H](C=O)[NH2+]CC2 75699427 573679633 /nfs/dbraw/zinc/67/96/33/573679633.db2.gz HEVRHOKVRDRKGE-VIFPVBQESA-N 1 1 191.230 1.086 10 30 ADEEMO C=C(CC(=O)OC)C[C@H]1CC[N@@H+](C)C1 258090432 573679808 /nfs/dbraw/zinc/67/98/08/573679808.db2.gz GJWKETCLYNYQLH-SNVBAGLBSA-N 1 1 197.278 1.448 10 30 ADEEMO C[C@]1(c2ccccc2)O[C@]1(C#N)C[NH3+] 238469580 573679845 /nfs/dbraw/zinc/67/98/45/573679845.db2.gz LAAZISIMANRUAP-MNOVXSKESA-N 1 1 188.230 1.153 10 30 ADEEMO COc1c(C)cc([C@@H]([NH3+])C=O)cc1C 259549926 573679951 /nfs/dbraw/zinc/67/99/51/573679951.db2.gz XKOVOORPUMFRIA-JTQLQIEISA-N 1 1 193.246 1.511 10 30 ADEEMO C#C[C@@]1(O)CC[N@@H+](CCCC=C)C1 308420108 573682917 /nfs/dbraw/zinc/68/29/17/573682917.db2.gz SMDXBWMPTBRTNF-LLVKDONJSA-N 1 1 179.263 1.023 10 30 ADEEMO C[N@H+]1CC[C@H](F)[C@@H](C#N)CC1 259551671 573682097 /nfs/dbraw/zinc/68/20/97/573682097.db2.gz BVZSFWWRBWBTDW-SFYZADRCSA-N 1 1 156.204 1.190 10 30 ADEEMO C[N@H+]1CC[C@H](F)[C@H](C#N)CC1 259551682 573682115 /nfs/dbraw/zinc/68/21/15/573682115.db2.gz BVZSFWWRBWBTDW-YUMQZZPRSA-N 1 1 156.204 1.190 10 30 ADEEMO C[N@@H+]1CC[C@@H](C#N)[C@H](F)CC1 259551660 573682138 /nfs/dbraw/zinc/68/21/38/573682138.db2.gz BVZSFWWRBWBTDW-JGVFFNPUSA-N 1 1 156.204 1.190 10 30 ADEEMO C=CC[NH2+][C@H](C)c1nnc(C(C)C)[nH]1 308672488 573682934 /nfs/dbraw/zinc/68/29/34/573682934.db2.gz VJWFLGHFRPAVIY-MRVPVSSYSA-N 1 1 194.282 1.765 10 30 ADEEMO C[NH2+][C@@H](c1cc[nH]c1)C1(C#N)CC1 259157006 573682486 /nfs/dbraw/zinc/68/24/86/573682486.db2.gz CTIXGHDBAXTVSJ-VIFPVBQESA-N 1 1 175.235 1.579 10 30 ADEEMO C=CC[N@@H+]1CC[C@@H](COC(F)F)C1 308415564 573682657 /nfs/dbraw/zinc/68/26/57/573682657.db2.gz QNMYYRRTAAMCMU-MRVPVSSYSA-N 1 1 191.221 1.734 10 30 ADEEMO C#CC[N@@H+](CCO)Cc1cccs1 308420063 573682685 /nfs/dbraw/zinc/68/26/85/573682685.db2.gz SHSGTQJMXUHRKY-UHFFFAOYSA-N 1 1 195.287 1.176 10 30 ADEEMO C#CC[N@H+](CCO)Cc1cccs1 308420063 573682691 /nfs/dbraw/zinc/68/26/91/573682691.db2.gz SHSGTQJMXUHRKY-UHFFFAOYSA-N 1 1 195.287 1.176 10 30 ADEEMO C#CC[N@H+](CC1CC1)[C@@H](CN)C(C)C 130815888 573682715 /nfs/dbraw/zinc/68/27/15/573682715.db2.gz ZZFUHEHNFFQTFN-LBPRGKRZSA-N 1 1 194.322 1.315 10 30 ADEEMO C#CC[N@@H+](CC1CC1)[C@@H](CN)C(C)C 130815888 573682723 /nfs/dbraw/zinc/68/27/23/573682723.db2.gz ZZFUHEHNFFQTFN-LBPRGKRZSA-N 1 1 194.322 1.315 10 30 ADEEMO O=C[C@@H]1CCCC[N@H+]1CC1CCC1 83841960 573686256 /nfs/dbraw/zinc/68/62/56/573686256.db2.gz ICCVVAUUPCQCRY-NSHDSACASA-N 1 1 181.279 1.840 10 30 ADEEMO Cc1ccc2c(c1F)CC[NH2+][C@H]2C=O 75749455 573686630 /nfs/dbraw/zinc/68/66/30/573686630.db2.gz IBTJYCJHFXMMMV-JTQLQIEISA-N 1 1 193.221 1.520 10 30 ADEEMO C[NH2+][C@H](S)c1ccncc1 259166383 573697194 /nfs/dbraw/zinc/69/71/94/573697194.db2.gz DBLFTUXKAYMEDP-SSDOTTSWSA-N 1 1 154.238 1.229 10 30 ADEEMO C#CC[N@H+](C[C@H](C)COC)C1CC1 308424916 573697565 /nfs/dbraw/zinc/69/75/65/573697565.db2.gz QOCLOOFLBVWRGO-JTQLQIEISA-N 1 1 181.279 1.367 10 30 ADEEMO C=CC[N@@H+]1C[C@@H](O)CCC1(C)C 259167601 573698342 /nfs/dbraw/zinc/69/83/42/573698342.db2.gz AMDMGYGSJYIDLN-VIFPVBQESA-N 1 1 169.268 1.408 10 30 ADEEMO Cn1c2cc(C#N)[nH]c2n2cc[nH+]c12 259618403 573698463 /nfs/dbraw/zinc/69/84/63/573698463.db2.gz GQPBJMCSCITVKI-UHFFFAOYSA-N 1 1 185.190 1.026 10 30 ADEEMO CCCN(CC#N)Cc1cnc[nH]1 308425150 573698735 /nfs/dbraw/zinc/69/87/35/573698735.db2.gz QRTLCALUYLIYFD-UHFFFAOYSA-N 1 1 178.239 1.145 10 30 ADEEMO CCCCC[N@H+](C)CC(=O)CC#N 259166989 573698877 /nfs/dbraw/zinc/69/88/77/573698877.db2.gz HCBUZUKTJSNEQP-UHFFFAOYSA-N 1 1 182.267 1.591 10 30 ADEEMO CCCCC[N@@H+](C)CC(=O)CC#N 259166989 573698880 /nfs/dbraw/zinc/69/88/80/573698880.db2.gz HCBUZUKTJSNEQP-UHFFFAOYSA-N 1 1 182.267 1.591 10 30 ADEEMO CC[C@H](C#N)N1CC[N@H+]2CCC[C@@H]2C1 86932477 573699178 /nfs/dbraw/zinc/69/91/78/573699178.db2.gz FHPPCIQAQLFSNZ-GHMZBOCLSA-N 1 1 193.294 1.069 10 30 ADEEMO C=CCN(CCC)CCC[NH2+]CC 126874357 573706577 /nfs/dbraw/zinc/70/65/77/573706577.db2.gz WUCPOEKNGIBKBK-UHFFFAOYSA-N 1 1 184.327 1.884 10 30 ADEEMO C[N@H+]1CCc2cc(CC#N)[nH]c2C1 259558496 573706587 /nfs/dbraw/zinc/70/65/87/573706587.db2.gz CFPMBSQKOCJTOG-UHFFFAOYSA-N 1 1 175.235 1.069 10 30 ADEEMO C#CC[N@H+](CC=C)C[C@@H]1CC[C@H]([NH3+])C1 308689022 573707242 /nfs/dbraw/zinc/70/72/42/573707242.db2.gz QTOVEAGWACBTSS-NEPJUHHUSA-N 1 1 192.306 1.235 10 30 ADEEMO CC[N@H+]1CCCC[C@H]1CC#CC=O 258095048 573712333 /nfs/dbraw/zinc/71/23/33/573712333.db2.gz GSSRBPHNTSERAI-NSHDSACASA-N 1 1 179.263 1.453 10 30 ADEEMO CC[N@@H+](C)C[C@H](O)CC(C)(C)C#N 393554330 573712363 /nfs/dbraw/zinc/71/23/63/573712363.db2.gz MJQMOEYNYXAMAF-SECBINFHSA-N 1 1 184.283 1.239 10 30 ADEEMO COCCC[N@H+]1CC[C@@H](C#N)C1(C)C 259561090 573711596 /nfs/dbraw/zinc/71/15/96/573711596.db2.gz XVWHJJDRPMRRSA-JTQLQIEISA-N 1 1 196.294 1.647 10 30 ADEEMO C=CC[C@H](C)[C@@H](O)[C@H]1CCC[N@H+]1C 715004744 573711619 /nfs/dbraw/zinc/71/16/19/573711619.db2.gz IVGFHITWSFYFBC-HBNTYKKESA-N 1 1 183.295 1.654 10 30 ADEEMO CC[N@@H+](C)C[C@@H](O)CC(C)(C)C#N 393554331 573711961 /nfs/dbraw/zinc/71/19/61/573711961.db2.gz MJQMOEYNYXAMAF-VIFPVBQESA-N 1 1 184.283 1.239 10 30 ADEEMO C=CC[C@H](C)[C@@H](O)[C@@H]1CCC[N@H+]1C 715004743 573712014 /nfs/dbraw/zinc/71/20/14/573712014.db2.gz IVGFHITWSFYFBC-GARJFASQSA-N 1 1 183.295 1.654 10 30 ADEEMO C=CC[N@@H+]1CCC(=O)C(C)(C)C1 259172914 573714113 /nfs/dbraw/zinc/71/41/13/573714113.db2.gz GXQYEYBMPVRQKZ-UHFFFAOYSA-N 1 1 167.252 1.473 10 30 ADEEMO C=CC[N@H+]1CCC(=O)C(C)(C)C1 259172914 573714116 /nfs/dbraw/zinc/71/41/16/573714116.db2.gz GXQYEYBMPVRQKZ-UHFFFAOYSA-N 1 1 167.252 1.473 10 30 ADEEMO C[C@@]1([NH3+])C(=O)C=Cc2ccccc21 238493344 573714128 /nfs/dbraw/zinc/71/41/28/573714128.db2.gz YUPYSOKGHBFIMB-NSHDSACASA-N 1 1 173.215 1.456 10 30 ADEEMO C[C@H](C[C@@](C)([NH3+])C#N)OCC(F)F 130799748 573714340 /nfs/dbraw/zinc/71/43/40/573714340.db2.gz CQNSSVXVDDCZGG-HTRCEHHLSA-N 1 1 192.209 1.288 10 30 ADEEMO C#CCN(C)[C@@H](C)[C@@H](C)C[NH2+]CC 130872666 573714421 /nfs/dbraw/zinc/71/44/21/573714421.db2.gz UZRSGYGPBSOIPH-QWRGUYRKSA-N 1 1 182.311 1.186 10 30 ADEEMO C#CCN(C)[C@H](C)[C@@H](C)C[NH2+]CC 130872259 573714698 /nfs/dbraw/zinc/71/46/98/573714698.db2.gz UZRSGYGPBSOIPH-WDEREUQCSA-N 1 1 182.311 1.186 10 30 ADEEMO C[NH2+][C@@H](CC#N)c1ccc(OC)cc1 259173220 573714741 /nfs/dbraw/zinc/71/47/41/573714741.db2.gz DJOWHXZXUNOWPC-NSHDSACASA-N 1 1 190.246 1.869 10 30 ADEEMO C[NH2+][C@H](S)c1ccc2c(c1)CCO2 259173208 573714806 /nfs/dbraw/zinc/71/48/06/573714806.db2.gz DJOUCGHSIBAMOC-SNVBAGLBSA-N 1 1 195.287 1.769 10 30 ADEEMO C#CCN(CCC)[C@H]1CC[C@@H]1C[NH2+]C 130952077 573714933 /nfs/dbraw/zinc/71/49/33/573714933.db2.gz LQZLHLOOEXPTOX-NEPJUHHUSA-N 1 1 194.322 1.330 10 30 ADEEMO C=CCCC[C@H](C)[NH2+][C@H]1CCOC1=O 308679567 573715055 /nfs/dbraw/zinc/71/50/55/573715055.db2.gz XFSIRYMIMQZPOM-UWVGGRQHSA-N 1 1 197.278 1.636 10 30 ADEEMO C[NH2+][C@@H](S)c1ccc2c(c1)CCO2 259173203 573715076 /nfs/dbraw/zinc/71/50/76/573715076.db2.gz DJOUCGHSIBAMOC-JTQLQIEISA-N 1 1 195.287 1.769 10 30 ADEEMO C#CC[N@H+](CCC)[C@@H](C)CC[NH2+]C 130942174 573715231 /nfs/dbraw/zinc/71/52/31/573715231.db2.gz SHPFQEKKDFDAAM-NSHDSACASA-N 1 1 182.311 1.330 10 30 ADEEMO C#CCN(CCC)[C@@H](C)CC[NH2+]C 130942174 573715236 /nfs/dbraw/zinc/71/52/36/573715236.db2.gz SHPFQEKKDFDAAM-NSHDSACASA-N 1 1 182.311 1.330 10 30 ADEEMO C[NH2+][C@H](CC#N)c1ccc(OC)cc1 259173214 573715396 /nfs/dbraw/zinc/71/53/96/573715396.db2.gz DJOWHXZXUNOWPC-LLVKDONJSA-N 1 1 190.246 1.869 10 30 ADEEMO C#CCN(CC)[C@H](C)[C@@H](C)C[NH2+]CC 130919798 573731778 /nfs/dbraw/zinc/73/17/78/573731778.db2.gz DLNPQECJPGNZGK-NWDGAFQWSA-N 1 1 196.338 1.576 10 30 ADEEMO C=CCC[C@H](C)[NH2+]CCc1nc[nH]n1 126881387 573731982 /nfs/dbraw/zinc/73/19/82/573731982.db2.gz QBXLNKHKHDWXII-VIFPVBQESA-N 1 1 194.282 1.292 10 30 ADEEMO C=C(CCO)[C@@H]1CCC[N@H+](C)C1 258111398 573732063 /nfs/dbraw/zinc/73/20/63/573732063.db2.gz HRXACDLUBYKZCR-SNVBAGLBSA-N 1 1 169.268 1.267 10 30 ADEEMO C#CCN(CC)[C@H](C)CC[NH2+]C(C)C 130923769 573732064 /nfs/dbraw/zinc/73/20/64/573732064.db2.gz ZPOUWYPDNKHPKB-GFCCVEGCSA-N 1 1 196.338 1.718 10 30 ADEEMO C[C@@H](C=O)C[N@H+]1CCC[C@@H](C)C1 108288464 573732083 /nfs/dbraw/zinc/73/20/83/573732083.db2.gz YMVLEZYLTSFMEV-NXEZZACHSA-N 1 1 169.268 1.553 10 30 ADEEMO C#CCN(CC)[C@@H](C)CC[NH2+]CC 130924223 573732147 /nfs/dbraw/zinc/73/21/47/573732147.db2.gz WBMWUCZQOHLUAA-NSHDSACASA-N 1 1 182.311 1.330 10 30 ADEEMO CO[C@H](C)[C@H](C)[N@@H+](C)C[C@H](C)C#N 308426719 573732159 /nfs/dbraw/zinc/73/21/59/573732159.db2.gz ROVFVTYWSPAUMN-KXUCPTDWSA-N 1 1 184.283 1.501 10 30 ADEEMO CS[C@@H]1CC[C@@H]([N@@H+](C)CC=O)C1 687965710 573732168 /nfs/dbraw/zinc/73/21/68/573732168.db2.gz PUBXADWIXWVHCU-RKDXNWHRSA-N 1 1 187.308 1.401 10 30 ADEEMO C#CCN(CC)C[C@@H](C)C[NH2+]CCC 130922652 573732385 /nfs/dbraw/zinc/73/23/85/573732385.db2.gz BXOILGDLLORMSP-LBPRGKRZSA-N 1 1 196.338 1.577 10 30 ADEEMO C#CC[N@H+](CC)[C@@H](C)[C@@H](C)C[NH2+]CC 130920211 573732413 /nfs/dbraw/zinc/73/24/13/573732413.db2.gz DLNPQECJPGNZGK-RYUDHWBXSA-N 1 1 196.338 1.576 10 30 ADEEMO C#CCN(CC)[C@@H](C)[C@@H](C)C[NH2+]CC 130920211 573732416 /nfs/dbraw/zinc/73/24/16/573732416.db2.gz DLNPQECJPGNZGK-RYUDHWBXSA-N 1 1 196.338 1.576 10 30 ADEEMO SC[NH2+]Cc1ccc2[nH]cnc2c1 258899528 573739009 /nfs/dbraw/zinc/73/90/09/573739009.db2.gz KOTLKAYDXQBALK-UHFFFAOYSA-N 1 1 193.275 1.540 10 30 ADEEMO SC[NH2+]Cc1ccc2nc[nH]c2c1 258899528 573739014 /nfs/dbraw/zinc/73/90/14/573739014.db2.gz KOTLKAYDXQBALK-UHFFFAOYSA-N 1 1 193.275 1.540 10 30 ADEEMO C[N@@H+](CCS)Cc1cc[nH]c1 258899269 573739238 /nfs/dbraw/zinc/73/92/38/573739238.db2.gz NYXQPHKFCOPICA-UHFFFAOYSA-N 1 1 170.281 1.376 10 30 ADEEMO C[N@@H+](CS)C1CCC1 258899625 573739479 /nfs/dbraw/zinc/73/94/79/573739479.db2.gz KSDVWAQWSXGKEO-UHFFFAOYSA-N 1 1 131.244 1.358 10 30 ADEEMO CC[C@H](C)C[N@@H+](CC)C[C@@](C)(N)C#N 223341587 573744439 /nfs/dbraw/zinc/74/44/39/573744439.db2.gz BRROKCFCIUFBFR-QWRGUYRKSA-N 1 1 197.326 1.595 10 30 ADEEMO C=C[C@H](C)[NH2+][C@H]1CCN(CC)C[C@H]1C 393668574 573744656 /nfs/dbraw/zinc/74/46/56/573744656.db2.gz PJFUXHWKHKAGFZ-WOPDTQHZSA-N 1 1 196.338 1.881 10 30 ADEEMO C[C@H]1CC[C@@H](C)C[N@@H+]1CC=O 84050092 573744789 /nfs/dbraw/zinc/74/47/89/573744789.db2.gz ZUYFQHJGDFAGIG-BDAKNGLRSA-N 1 1 155.241 1.306 10 30 ADEEMO C[C@H]1CC[C@H](C)[N@@H+](CC=O)C1 84050095 573744828 /nfs/dbraw/zinc/74/48/28/573744828.db2.gz ZUYFQHJGDFAGIG-IUCAKERBSA-N 1 1 155.241 1.306 10 30 ADEEMO C[C@@H]1CC[C@@H](C)[N@@H+](CCC=O)C1 84049990 573745025 /nfs/dbraw/zinc/74/50/25/573745025.db2.gz SACNEODZFZFXST-NXEZZACHSA-N 1 1 169.268 1.696 10 30 ADEEMO C[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H]2CO2)C1 84047242 573746288 /nfs/dbraw/zinc/74/62/88/573746288.db2.gz YKTWNPRJTQJIFH-OPRDCNLKSA-N 1 1 169.268 1.506 10 30 ADEEMO C=C[C@H](C)[NH2+][C@H]1CCN(CC)C[C@@H]1C 393668573 573746410 /nfs/dbraw/zinc/74/64/10/573746410.db2.gz PJFUXHWKHKAGFZ-SRVKXCTJSA-N 1 1 196.338 1.881 10 30 ADEEMO CN[C@H]([C@@H]1CC[N@@H+](C)C1)C(C)(C)C#N 259175176 573748453 /nfs/dbraw/zinc/74/84/53/573748453.db2.gz DKRWICFIDPUNTR-NXEZZACHSA-N 1 1 195.310 1.076 10 30 ADEEMO C[C@H]1CC[C@H](C)[N@@H+](CCC=O)C1 84049987 573750856 /nfs/dbraw/zinc/75/08/56/573750856.db2.gz SACNEODZFZFXST-UWVGGRQHSA-N 1 1 169.268 1.696 10 30 ADEEMO CC[C@@H]([NH2+]CC#CCO)c1ccco1 717550937 573750955 /nfs/dbraw/zinc/75/09/55/573750955.db2.gz OGDMZFFUHQYJNN-SNVBAGLBSA-N 1 1 193.246 1.316 10 30 ADEEMO CC[C@H]([NH2+]CC#CCO)c1ccco1 717550936 573751025 /nfs/dbraw/zinc/75/10/25/573751025.db2.gz OGDMZFFUHQYJNN-JTQLQIEISA-N 1 1 193.246 1.316 10 30 ADEEMO CC(C)[C@@H](C#N)C(=O)[C@@H]1CC[N@@H+](C)C1 259181416 573751200 /nfs/dbraw/zinc/75/12/00/573751200.db2.gz QMWRJXAVVDQHFT-NXEZZACHSA-N 1 1 194.278 1.303 10 30 ADEEMO CC[C@@H]1CO[C@@H](C)C[N@H+]1CC[C@H]1CO1 308707206 573751332 /nfs/dbraw/zinc/75/13/32/573751332.db2.gz XDDYFNQFCBJXRY-AXFHLTTASA-N 1 1 199.294 1.275 10 30 ADEEMO CC(C)[C@H](C#N)C(=O)[C@H]1CC[N@@H+](C)C1 259181417 573751380 /nfs/dbraw/zinc/75/13/80/573751380.db2.gz QMWRJXAVVDQHFT-UWVGGRQHSA-N 1 1 194.278 1.303 10 30 ADEEMO CC[N@@H+](C)C[C@H](C)CS 87056745 573754219 /nfs/dbraw/zinc/75/42/19/573754219.db2.gz OPACOHVYZZRGEI-ZETCQYMHSA-N 1 1 147.287 1.504 10 30 ADEEMO CC[N@@H+](C)C/C=C/CS 87056763 573754326 /nfs/dbraw/zinc/75/43/26/573754326.db2.gz WKNDZHMLVAKIOD-SNAWJCMRSA-N 1 1 145.271 1.424 10 30 ADEEMO C[C@H]1C[N@@H+](CCS)C[C@@H](C)O1 87054699 573754339 /nfs/dbraw/zinc/75/43/39/573754339.db2.gz BRGJPFBPAKZMHR-OCAPTIKFSA-N 1 1 175.297 1.025 10 30 ADEEMO CC[N@@H+](CCCS)C1CC1 87057018 573754527 /nfs/dbraw/zinc/75/45/27/573754527.db2.gz OXIGHLUNUGWHJS-UHFFFAOYSA-N 1 1 159.298 1.791 10 30 ADEEMO CCCC[N@@H+](C)CCS 87056022 573754549 /nfs/dbraw/zinc/75/45/49/573754549.db2.gz BAECCBBJLXVLQQ-UHFFFAOYSA-N 1 1 147.287 1.648 10 30 ADEEMO Cc1cc2c(CC#N)[nH+]ccc2[nH]1 238499242 573754647 /nfs/dbraw/zinc/75/46/47/573754647.db2.gz WTCRWXNKNJDGKW-UHFFFAOYSA-N 1 1 171.203 1.937 10 30 ADEEMO C[C@H]1CCC[N@H+]1CCCS 87054089 573754656 /nfs/dbraw/zinc/75/46/56/573754656.db2.gz FCCHYLAYXWKJKV-QMMMGPOBSA-N 1 1 159.298 1.791 10 30 ADEEMO C[C@@H]1CCC[N@H+]1CCS 87054112 573754664 /nfs/dbraw/zinc/75/46/64/573754664.db2.gz GYOKGIRHYZANQR-SSDOTTSWSA-N 1 1 145.271 1.401 10 30 ADEEMO C[N@@H+](CC[C@H]1CO1)CC1CCOCC1 308707566 573754675 /nfs/dbraw/zinc/75/46/75/573754675.db2.gz XHFOFEWQXSSYKN-NSHDSACASA-N 1 1 199.294 1.134 10 30 ADEEMO CC[C@@H]1CO[C@@H](C)C[N@H+]1CC[C@@H]1CO1 308707210 573754702 /nfs/dbraw/zinc/75/47/02/573754702.db2.gz XDDYFNQFCBJXRY-HBNTYKKESA-N 1 1 199.294 1.275 10 30 ADEEMO C=CC[C@@H]1C(=O)CC[C@@H]2CCC[N@@H+]21 238097504 573754760 /nfs/dbraw/zinc/75/47/60/573754760.db2.gz CAVCLXRPBBSQCE-VHSXEESVSA-N 1 1 179.263 1.758 10 30 ADEEMO CC[C@H](CS)C[N@@H+](C)C[C@@H](C)O 87050599 573754780 /nfs/dbraw/zinc/75/47/80/573754780.db2.gz ZJEKVANNNHIOGJ-BDAKNGLRSA-N 1 1 191.340 1.255 10 30 ADEEMO C[C@H]1C[N@@H+](CCCS)C[C@@H](C)O1 87054670 573754801 /nfs/dbraw/zinc/75/48/01/573754801.db2.gz ITDNEOUKTHBIBC-DTORHVGOSA-N 1 1 189.324 1.416 10 30 ADEEMO C[C@H]1CC[C@@H](C)[N@@H+](CC=O)C1 84050101 573754894 /nfs/dbraw/zinc/75/48/94/573754894.db2.gz ZUYFQHJGDFAGIG-DTWKUNHWSA-N 1 1 155.241 1.306 10 30 ADEEMO CC(C)[N@@H+](C)CCCS 87055141 573755001 /nfs/dbraw/zinc/75/50/01/573755001.db2.gz LNDYRLIXXSXYJZ-UHFFFAOYSA-N 1 1 147.287 1.647 10 30 ADEEMO CC[N@@H+](CCS)CC1CC1 87053849 573755041 /nfs/dbraw/zinc/75/50/41/573755041.db2.gz JUBAAGMGYTZUEF-UHFFFAOYSA-N 1 1 159.298 1.648 10 30 ADEEMO C[C@H](CS)C[N@@H+](C)C1CC1 87057115 573755923 /nfs/dbraw/zinc/75/59/23/573755923.db2.gz FFHWUFVDNCHODN-ZETCQYMHSA-N 1 1 159.298 1.647 10 30 ADEEMO C[N@@H+](CCS)C1CCCC1 87056908 573755938 /nfs/dbraw/zinc/75/59/38/573755938.db2.gz HOPZOLRIIMUBEE-UHFFFAOYSA-N 1 1 159.298 1.791 10 30 ADEEMO C[N@@H+](C/C=C/CS)C1CC1 87057138 573755324 /nfs/dbraw/zinc/75/53/24/573755324.db2.gz MVUGCHFKTILZCA-NSCUHMNNSA-N 1 1 157.282 1.567 10 30 ADEEMO CC(C)(CS)C[N@H+]1CC[C@H](O)C1 87051649 573755437 /nfs/dbraw/zinc/75/54/37/573755437.db2.gz ORTDIGYKZWXRGO-QMMMGPOBSA-N 1 1 189.324 1.009 10 30 ADEEMO CC[C@@H](CS)C[N@@H+](C)CC 87056740 573755601 /nfs/dbraw/zinc/75/56/01/573755601.db2.gz ZOEMLZJOYOYWRS-MRVPVSSYSA-N 1 1 161.314 1.894 10 30 ADEEMO CC(C)[N@H+](C)C[C@H](C)CS 87055168 573755723 /nfs/dbraw/zinc/75/57/23/573755723.db2.gz YHQDRDROTCSMHK-QMMMGPOBSA-N 1 1 161.314 1.893 10 30 ADEEMO CC(C)C[N@@H+](CCC#N)CC(C)(C)O 43417577 573756076 /nfs/dbraw/zinc/75/60/76/573756076.db2.gz YBXYBIFLCGRBDI-UHFFFAOYSA-N 1 1 198.310 1.629 10 30 ADEEMO CC(C)[N@H+]1CCCC[C@H]1CC#CC=O 258120970 573756184 /nfs/dbraw/zinc/75/61/84/573756184.db2.gz IJQPZZGXUJESQN-LBPRGKRZSA-N 1 1 193.290 1.842 10 30 ADEEMO C[N@@H+](CCS)C1CC1 87057100 573756213 /nfs/dbraw/zinc/75/62/13/573756213.db2.gz SJVWGLWJQKSPPN-UHFFFAOYSA-N 1 1 131.244 1.010 10 30 ADEEMO C[C@H](C#N)NCC[C@@H]1CCC[N@@H+](C)C1 258911418 573756367 /nfs/dbraw/zinc/75/63/67/573756367.db2.gz ZALAJXQRHIVEFN-MNOVXSKESA-N 1 1 195.310 1.220 10 30 ADEEMO CC[N@@H+](C)CC(C)(C)CS 87056730 573756380 /nfs/dbraw/zinc/75/63/80/573756380.db2.gz WOSUTYHUSLUQQB-UHFFFAOYSA-N 1 1 161.314 1.894 10 30 ADEEMO C[C@@H](/C(N)=N/O)[N@H+]1C[C@H](C)CC[C@H]1C 84050845 573756548 /nfs/dbraw/zinc/75/65/48/573756548.db2.gz NJSBGRXGVILWMF-HLTSFMKQSA-N 1 1 199.298 1.242 10 30 ADEEMO C[C@H]1CC[C@@H](C)C[N@@H+]1CC[C@H](N)C#N 84052597 573756566 /nfs/dbraw/zinc/75/65/66/573756566.db2.gz JSORKEXBETWKIQ-VWYCJHECSA-N 1 1 195.310 1.348 10 30 ADEEMO C[C@@H](C#N)NCC[C@H]1CCC[N@@H+](C)C1 258911424 573756597 /nfs/dbraw/zinc/75/65/97/573756597.db2.gz ZALAJXQRHIVEFN-WDEREUQCSA-N 1 1 195.310 1.220 10 30 ADEEMO CCO[C@@]1(C=O)CCC[N@@H+](CC)CC1 257866106 573756632 /nfs/dbraw/zinc/75/66/32/573756632.db2.gz POBMJESCDPOREJ-NSHDSACASA-N 1 1 199.294 1.466 10 30 ADEEMO C[C@H]1C[C@@H]1C[N@@H+](C)CCS 87053354 573756693 /nfs/dbraw/zinc/75/66/93/573756693.db2.gz PTGIDDYPZBXVAU-JGVFFNPUSA-N 1 1 159.298 1.504 10 30 ADEEMO C[C@@H](C#N)N(C)CC[C@H]1CC[N@@H+](C)C1 258911245 573756749 /nfs/dbraw/zinc/75/67/49/573756749.db2.gz YWDIUCYGDUNXSN-WDEREUQCSA-N 1 1 195.310 1.172 10 30 ADEEMO CC[N@@H+](CCS)CC(C)C 87056678 573756795 /nfs/dbraw/zinc/75/67/95/573756795.db2.gz UTZHMPGANGVIEW-UHFFFAOYSA-N 1 1 161.314 1.894 10 30 ADEEMO C[C@H]1CC[C@@H](C)[N@@H+](CC/C(N)=N/O)C1 84050872 573756877 /nfs/dbraw/zinc/75/68/77/573756877.db2.gz JCTUWGXVKJPLLY-DTWKUNHWSA-N 1 1 199.298 1.243 10 30 ADEEMO C[C@H]1CC[C@@H](C)C[N@@H+]1C[C@](C)(N)C#N 84052509 573756956 /nfs/dbraw/zinc/75/69/56/573756956.db2.gz UNBRGCHXSJRGJX-OUAUKWLOSA-N 1 1 195.310 1.348 10 30 ADEEMO C[N@@H+](CCS)CC1CCC1 87051526 573757109 /nfs/dbraw/zinc/75/71/09/573757109.db2.gz MLXUBEUCZCPBAH-UHFFFAOYSA-N 1 1 159.298 1.648 10 30 ADEEMO C[C@H]1C[C@@H](C)C[N@@H+](CCS)C1 87055336 573757191 /nfs/dbraw/zinc/75/71/91/573757191.db2.gz XQXRHPGSVIMTSV-DTORHVGOSA-N 1 1 173.325 1.894 10 30 ADEEMO CC(C)CC[N@H+](C)CC(=O)CC#N 259182370 573757231 /nfs/dbraw/zinc/75/72/31/573757231.db2.gz IQIISYUGZQJEBM-UHFFFAOYSA-N 1 1 182.267 1.447 10 30 ADEEMO CC(C)CC[N@@H+](C)CC(=O)CC#N 259182370 573757237 /nfs/dbraw/zinc/75/72/37/573757237.db2.gz IQIISYUGZQJEBM-UHFFFAOYSA-N 1 1 182.267 1.447 10 30 ADEEMO C[C@H]1CCC[N@H+]1CCS 87054114 573757299 /nfs/dbraw/zinc/75/72/99/573757299.db2.gz GYOKGIRHYZANQR-ZETCQYMHSA-N 1 1 145.271 1.401 10 30 ADEEMO C[NH2+][C@@H](CC#N)c1cccc(F)c1 259564916 573757325 /nfs/dbraw/zinc/75/73/25/573757325.db2.gz WKQLEIORBLSNDP-JTQLQIEISA-N 1 1 178.210 2.000 10 30 ADEEMO C[N@@H+](CC=O)CCc1ccccc1F 258916857 573757347 /nfs/dbraw/zinc/75/73/47/573757347.db2.gz PZLXAMCUFSEHDU-UHFFFAOYSA-N 1 1 195.237 1.499 10 30 ADEEMO C[N@H+](CC=O)CCc1ccccc1F 258916857 573757350 /nfs/dbraw/zinc/75/73/50/573757350.db2.gz PZLXAMCUFSEHDU-UHFFFAOYSA-N 1 1 195.237 1.499 10 30 ADEEMO CC[C@H](C)[N@@H+](C)CCS 87057178 573757359 /nfs/dbraw/zinc/75/73/59/573757359.db2.gz PUVRZSROKGVXRI-ZETCQYMHSA-N 1 1 147.287 1.647 10 30 ADEEMO CC[C@@H](C)[N@@H+](C)CCS 87057176 573757402 /nfs/dbraw/zinc/75/74/02/573757402.db2.gz PUVRZSROKGVXRI-SSDOTTSWSA-N 1 1 147.287 1.647 10 30 ADEEMO C[C@H]1C[N@H+](C/C=C/CS)CCO1 87054973 573757433 /nfs/dbraw/zinc/75/74/33/573757433.db2.gz BEUIVFMWWGKXEW-HPOULIHZSA-N 1 1 187.308 1.193 10 30 ADEEMO C[C@H]1C[N@@H+](C/C=C/CS)CCO1 87054973 573757437 /nfs/dbraw/zinc/75/74/37/573757437.db2.gz BEUIVFMWWGKXEW-HPOULIHZSA-N 1 1 187.308 1.193 10 30 ADEEMO C[C@H]1CCC[N@H+]1C/C=C/CS 87054169 573757511 /nfs/dbraw/zinc/75/75/11/573757511.db2.gz OCGNGWPYZISCKW-HPOULIHZSA-N 1 1 171.309 1.957 10 30 ADEEMO CC(C)[N@H+]1CCCC[C@@H]1CC#CC=O 258120969 573757531 /nfs/dbraw/zinc/75/75/31/573757531.db2.gz IJQPZZGXUJESQN-GFCCVEGCSA-N 1 1 193.290 1.842 10 30 ADEEMO C[NH2+][C@@H](c1cccnc1)C1(C#N)CC1 259177457 573768119 /nfs/dbraw/zinc/76/81/19/573768119.db2.gz DMLWBGGGQIFDKP-JTQLQIEISA-N 1 1 187.246 1.646 10 30 ADEEMO Cc1[nH+]ccn1CC1(CS)CC1 87091235 573768247 /nfs/dbraw/zinc/76/82/47/573768247.db2.gz MMKFIHQSOFWAQB-UHFFFAOYSA-N 1 1 182.292 1.902 10 30 ADEEMO N#C[C@H]1C[NH2+][C@@H](c2ccccc2F)C1 108340617 573768255 /nfs/dbraw/zinc/76/82/55/573768255.db2.gz XAUCHEPQGBCKDY-GZMMTYOYSA-N 1 1 190.221 2.000 10 30 ADEEMO C[N@@H+](CCOCC1CC1)CC[C@@H]1CO1 308712517 573768528 /nfs/dbraw/zinc/76/85/28/573768528.db2.gz ZNRBOFRMZHUSJH-LLVKDONJSA-N 1 1 199.294 1.134 10 30 ADEEMO C[C@H](O)C[C@H]1CCC[N@H+]1CC[C@H]1CO1 308712177 573768556 /nfs/dbraw/zinc/76/85/56/573768556.db2.gz ZIKSOHFEYOLFBX-AXFHLTTASA-N 1 1 199.294 1.011 10 30 ADEEMO CC[N@@H+]1CC=C(CCS)CC1 258124820 573769369 /nfs/dbraw/zinc/76/93/69/573769369.db2.gz PKDJMYVFUVRRKH-UHFFFAOYSA-N 1 1 171.309 1.958 10 30 ADEEMO Cc1[nH+]ccn1CCCCS 87091234 573769500 /nfs/dbraw/zinc/76/95/00/573769500.db2.gz SHDNZSHIPOPPJN-UHFFFAOYSA-N 1 1 170.281 1.902 10 30 ADEEMO Cc1cc([C@@H]([NH3+])CC#N)cc(=O)[nH]1 238509392 573769673 /nfs/dbraw/zinc/76/96/73/573769673.db2.gz ULYJHJGCLMSBLC-QMMMGPOBSA-N 1 1 177.207 1.009 10 30 ADEEMO Cc1[nH+]ccn1C/C=C/CS 87091227 573769844 /nfs/dbraw/zinc/76/98/44/573769844.db2.gz GXSWWHGQRFTKTD-NSCUHMNNSA-N 1 1 168.265 1.678 10 30 ADEEMO CCc1[nH+]ccn1CCCS 87094658 573773442 /nfs/dbraw/zinc/77/34/42/573773442.db2.gz JRADLAGWQUCVBA-UHFFFAOYSA-N 1 1 170.281 1.765 10 30 ADEEMO C#C[C@H](O)C(C)(C)C1=[NH+]CCC1 238101940 573773628 /nfs/dbraw/zinc/77/36/28/573773628.db2.gz VNBXBCXZQGSRSV-VIFPVBQESA-N 1 1 165.236 1.242 10 30 ADEEMO C=CC[C@H](CC)[NH2+][C@H]1C[C@@H](C)OC1=O 308715110 573773739 /nfs/dbraw/zinc/77/37/39/573773739.db2.gz AVRRYQIZLFHBBB-UTLUCORTSA-N 1 1 197.278 1.635 10 30 ADEEMO C=CCC[C@@H](C)[N@H+](C)CC(=O)NC 308431607 573782552 /nfs/dbraw/zinc/78/25/52/573782552.db2.gz UEKPXCYKBINPLT-SECBINFHSA-N 1 1 184.283 1.019 10 30 ADEEMO C=CC[C@@H](C)[C@H]([NH3+])c1cn[nH]n1 715012006 573787091 /nfs/dbraw/zinc/78/70/91/573787091.db2.gz WVYBLMUBCXWWJG-SVRRBLITSA-N 1 1 166.228 1.017 10 30 ADEEMO CC(C)(C)/[NH+]=C/C1=CCC[C@H]1O 238113784 573787405 /nfs/dbraw/zinc/78/74/05/573787405.db2.gz QKGBFBLZIFGUKA-MXFUOJGSSA-N 1 1 167.252 1.937 10 30 ADEEMO C[C@@H]1CCc2[nH+]cn(CC#N)c2C1 259570472 573794324 /nfs/dbraw/zinc/79/43/24/573794324.db2.gz DFQRLHAZXZDMTP-MRVPVSSYSA-N 1 1 175.235 1.531 10 30 ADEEMO C[N@H+]1CC[C@H]([C@@]2(C)C[C@@H]2C#N)C1 258945588 573794346 /nfs/dbraw/zinc/79/43/46/573794346.db2.gz DEGGZZSWZXSBTR-IVZWLZJFSA-N 1 1 164.252 1.488 10 30 ADEEMO Cc1cccc(CO)c1[C@@H]([NH3+])CC#N 238520284 573794751 /nfs/dbraw/zinc/79/47/51/573794751.db2.gz PUFZONDNADDKPZ-JTQLQIEISA-N 1 1 190.246 1.401 10 30 ADEEMO C[N@H+]1CC[C@H]([C@]2(C)C[C@H]2C#N)C1 258945585 573794772 /nfs/dbraw/zinc/79/47/72/573794772.db2.gz DEGGZZSWZXSBTR-GUBZILKMSA-N 1 1 164.252 1.488 10 30 ADEEMO N#CC1([C@H]([NH3+])c2ccncc2)CC1 259191038 573795065 /nfs/dbraw/zinc/79/50/65/573795065.db2.gz DCBQRKNYENLSQD-SECBINFHSA-N 1 1 173.219 1.385 10 30 ADEEMO Cc1cc([C@H]([NH3+])CC#N)c[nH]1 238520505 573795067 /nfs/dbraw/zinc/79/50/67/573795067.db2.gz QZLPYGYWQMIACE-MRVPVSSYSA-N 1 1 149.197 1.237 10 30 ADEEMO C[C@H]1CCc2[nH+]cn(CC#N)c2C1 259570474 573795230 /nfs/dbraw/zinc/79/52/30/573795230.db2.gz DFQRLHAZXZDMTP-QMMMGPOBSA-N 1 1 175.235 1.531 10 30 ADEEMO C=C(C)C[N@@H+](CC)C[C@@H](C)C(N)=O 308440263 573795270 /nfs/dbraw/zinc/79/52/70/573795270.db2.gz YSIYUPIIQJJIJV-SECBINFHSA-N 1 1 184.283 1.006 10 30 ADEEMO C=C(C)C[N@@H+](CC)C[C@H](C)C(N)=O 308440264 573795366 /nfs/dbraw/zinc/79/53/66/573795366.db2.gz YSIYUPIIQJJIJV-VIFPVBQESA-N 1 1 184.283 1.006 10 30 ADEEMO Cc1cccc(CO)c1[C@H]([NH3+])CC#N 238520915 573795858 /nfs/dbraw/zinc/79/58/58/573795858.db2.gz PUFZONDNADDKPZ-SNVBAGLBSA-N 1 1 190.246 1.401 10 30 ADEEMO CC1CC[NH+](CC(=O)CC#N)CC1 259191336 573796120 /nfs/dbraw/zinc/79/61/20/573796120.db2.gz JKLGVYWSCBCCFA-UHFFFAOYSA-N 1 1 180.251 1.201 10 30 ADEEMO C=CC[N@@H+]1CC[C@H](CO)CC1(C)C 259571283 573803991 /nfs/dbraw/zinc/80/39/91/573803991.db2.gz YQWVMSLWWRARQR-JTQLQIEISA-N 1 1 183.295 1.655 10 30 ADEEMO Cc1cc(C(F)F)nc(C[NH3+])c1C#N 238516220 573804723 /nfs/dbraw/zinc/80/47/23/573804723.db2.gz QQMDSEJQJGOPLK-UHFFFAOYSA-N 1 1 197.188 1.658 10 30 ADEEMO C#Cc1[nH+]cc2cc[nH]c2c1C 209748074 573806994 /nfs/dbraw/zinc/80/69/94/573806994.db2.gz IRNOAUWEXPHEOT-UHFFFAOYSA-N 1 1 156.188 1.853 10 30 ADEEMO C=C1C(=O)C(=O)CC2=C1CC[NH2+]2 238516210 573807021 /nfs/dbraw/zinc/80/70/21/573807021.db2.gz PQPDZCUDKDDXIN-UHFFFAOYSA-N 1 1 163.176 1.172 10 30 ADEEMO CCCC[N@H+](C)[C@@H]1CCO[C@H]1C#N 393591176 573807025 /nfs/dbraw/zinc/80/70/25/573807025.db2.gz QGKTYQMLZZFPAT-ZJUUUORDSA-N 1 1 182.267 1.399 10 30 ADEEMO CCCC[N@@H+](C)[C@@H]1CCO[C@H]1C#N 393591176 573807029 /nfs/dbraw/zinc/80/70/29/573807029.db2.gz QGKTYQMLZZFPAT-ZJUUUORDSA-N 1 1 182.267 1.399 10 30 ADEEMO C=C(CNC)[C@H]1CCC[N@@H+]1C(C)C 258136342 573807530 /nfs/dbraw/zinc/80/75/30/573807530.db2.gz JHBXRSSORBDMTN-LLVKDONJSA-N 1 1 182.311 1.635 10 30 ADEEMO C=C(CNC)[C@H]1CCC[N@H+]1C(C)C 258136342 573807532 /nfs/dbraw/zinc/80/75/32/573807532.db2.gz JHBXRSSORBDMTN-LLVKDONJSA-N 1 1 182.311 1.635 10 30 ADEEMO C[N@H+](CC=O)Cc1ccccc1 100497855 573807580 /nfs/dbraw/zinc/80/75/80/573807580.db2.gz IODYXSKLZFZLSS-UHFFFAOYSA-N 1 1 163.220 1.317 10 30 ADEEMO C[N@@H+](CC=O)Cc1ccccc1 100497855 573807584 /nfs/dbraw/zinc/80/75/84/573807584.db2.gz IODYXSKLZFZLSS-UHFFFAOYSA-N 1 1 163.220 1.317 10 30 ADEEMO C=CC/[NH+]=C/CNC(=O)OC(C)(C)C 238120939 573808035 /nfs/dbraw/zinc/80/80/35/573808035.db2.gz HNJDTVTZCTVJIS-YRNVUSSQSA-N 1 1 198.266 1.768 10 30 ADEEMO Cc1cc[nH]c1[C@H]([NH3+])CC#N 238528474 573808164 /nfs/dbraw/zinc/80/81/64/573808164.db2.gz RAZWCKAFXPKXRP-SSDOTTSWSA-N 1 1 149.197 1.237 10 30 ADEEMO COCC[N@@H+](C(C)C)[C@@H](C)CC#N 131278060 573808282 /nfs/dbraw/zinc/80/82/82/573808282.db2.gz HRFBKTVZUFDQOC-JTQLQIEISA-N 1 1 184.283 1.645 10 30 ADEEMO C#Cc1[nH+]cc(C)c2[nH]ccc12 209747987 573810670 /nfs/dbraw/zinc/81/06/70/573810670.db2.gz VZBUVXFTQBKQFH-UHFFFAOYSA-N 1 1 156.188 1.853 10 30 ADEEMO Cc1cccc(N)c1[C@@H]([NH3+])CC#N 238530472 573814456 /nfs/dbraw/zinc/81/44/56/573814456.db2.gz GMFTVONCXOHYIY-VIFPVBQESA-N 1 1 175.235 1.491 10 30 ADEEMO C=CC[C@H](C)[N@H+](CC=C)CCO 715022349 573823465 /nfs/dbraw/zinc/82/34/65/573823465.db2.gz HSGTTXXCQXUJGM-JTQLQIEISA-N 1 1 169.268 1.431 10 30 ADEEMO CO[C@@]1(CC=O)CCC[N@@H+](C)CC1 257886306 573830776 /nfs/dbraw/zinc/83/07/76/573830776.db2.gz MRSODFXZHCYHNQ-JTQLQIEISA-N 1 1 185.267 1.076 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CCC[C@H](CO)C1 715023710 573830875 /nfs/dbraw/zinc/83/08/75/573830875.db2.gz LHQAKJWBNMBKRY-MNOVXSKESA-N 1 1 183.295 1.655 10 30 ADEEMO Cc1c[nH+]c(N)cc1CC#N 238531603 573831004 /nfs/dbraw/zinc/83/10/04/573831004.db2.gz AVKABEPMFWYRST-UHFFFAOYSA-N 1 1 147.181 1.038 10 30 ADEEMO C=C(CC=O)C[C@H]1CCC[N@H+](C)C1 258144635 573831355 /nfs/dbraw/zinc/83/13/55/573831355.db2.gz JYUCSVMXXWFODC-LLVKDONJSA-N 1 1 181.279 1.864 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CCC[C@@H](CO)C1 715023702 573831403 /nfs/dbraw/zinc/83/14/03/573831403.db2.gz LHQAKJWBNMBKRY-GHMZBOCLSA-N 1 1 183.295 1.655 10 30 ADEEMO C[C@@]([NH3+])(CC#N)c1ccncc1 84329755 573831426 /nfs/dbraw/zinc/83/14/26/573831426.db2.gz KXPJIKYRFBYNAO-SECBINFHSA-N 1 1 161.208 1.169 10 30 ADEEMO CO[C@@]1(C=O)CC[N@H+](C(C)(C)C)C1 257886255 573831461 /nfs/dbraw/zinc/83/14/61/573831461.db2.gz MQOKCZZNROHWBW-JTQLQIEISA-N 1 1 185.267 1.075 10 30 ADEEMO CO[C@]1(C=O)CC[N@H+](C(C)(C)C)C1 257886256 573831531 /nfs/dbraw/zinc/83/15/31/573831531.db2.gz MQOKCZZNROHWBW-SNVBAGLBSA-N 1 1 185.267 1.075 10 30 ADEEMO Cc1cccc(C[NH2+]CS)c1 258965124 573831558 /nfs/dbraw/zinc/83/15/58/573831558.db2.gz UEMCKLUZBRCADC-UHFFFAOYSA-N 1 1 167.277 1.972 10 30 ADEEMO CC[N@@H+]1CC=C(CS)CC1 258144037 573831746 /nfs/dbraw/zinc/83/17/46/573831746.db2.gz QPNVZQBQJAFZOS-UHFFFAOYSA-N 1 1 157.282 1.568 10 30 ADEEMO C=C(CO)[C@@H]1CCC[N@H+](CC)C1 258142854 573831782 /nfs/dbraw/zinc/83/17/82/573831782.db2.gz JWLVVLXLSCKMSE-SNVBAGLBSA-N 1 1 169.268 1.267 10 30 ADEEMO CN(CC#N)[C@H]1CCC[N@H+](C2CC2)C1 259205897 573831842 /nfs/dbraw/zinc/83/18/42/573831842.db2.gz FVAOGHZKHFIQRO-NSHDSACASA-N 1 1 193.294 1.069 10 30 ADEEMO CC(C)(C)[N@H+]1CC[C@H]([C@@H](F)C=O)C1 257886265 573832043 /nfs/dbraw/zinc/83/20/43/573832043.db2.gz MQTLDAXLKQOHKV-IUCAKERBSA-N 1 1 187.258 1.644 10 30 ADEEMO CO[C@]1(CC=O)CCC[N@@H+](C)CC1 257886307 573832224 /nfs/dbraw/zinc/83/22/24/573832224.db2.gz MRSODFXZHCYHNQ-SNVBAGLBSA-N 1 1 185.267 1.076 10 30 ADEEMO C=CCN(C)C[C@]1(CC)CC[NH2+]C1 131418912 573835671 /nfs/dbraw/zinc/83/56/71/573835671.db2.gz KLNDTHHIIYLNHF-LLVKDONJSA-N 1 1 182.311 1.494 10 30 ADEEMO C=C(C[C@@H]1CCC[N@@H+]1CC)C(=O)OC 258151598 573835758 /nfs/dbraw/zinc/83/57/58/573835758.db2.gz KJUOLVDHLLCWRM-JTQLQIEISA-N 1 1 197.278 1.590 10 30 ADEEMO C#C[C@H](C)[NH2+][C@@](C)(CN)CCC(C)C 166648264 573835973 /nfs/dbraw/zinc/83/59/73/573835973.db2.gz QNLVCWQDWRAFIC-NWDGAFQWSA-N 1 1 196.338 1.751 10 30 ADEEMO C[C@@H]1C[C@@]1(C#N)[C@@H]1CC[N@@H+](C)C1 258965694 573837433 /nfs/dbraw/zinc/83/74/33/573837433.db2.gz HKANPIBJFGISDM-BBBLOLIVSA-N 1 1 164.252 1.488 10 30 ADEEMO C[C@@H]1C[C@@]1(C#N)[C@H]1CC[N@@H+](C)C1 258965697 573837547 /nfs/dbraw/zinc/83/75/47/573837547.db2.gz HKANPIBJFGISDM-UTLUCORTSA-N 1 1 164.252 1.488 10 30 ADEEMO C=C[C@H](C)[C@@H]([NH2+][C@H](C)CC)C(=O)OC 308763498 573837857 /nfs/dbraw/zinc/83/78/57/573837857.db2.gz ZFDDKNDCIZPKNS-IVZWLZJFSA-N 1 1 199.294 1.738 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@@H](C)[C@@H]1CO 715023912 573837929 /nfs/dbraw/zinc/83/79/29/573837929.db2.gz MCEYPHUHSGJKKO-VWYCJHECSA-N 1 1 183.295 1.654 10 30 ADEEMO CC[C@@H](C#N)NC[C@H]1CC[N@@H+](CC)C1 43540258 573838065 /nfs/dbraw/zinc/83/80/65/573838065.db2.gz QCBGKBUHKYSOCB-MNOVXSKESA-N 1 1 195.310 1.220 10 30 ADEEMO CC[C@@H](C#N)NC[C@@H]1CC[N@@H+](CC)C1 43540256 573841760 /nfs/dbraw/zinc/84/17/60/573841760.db2.gz QCBGKBUHKYSOCB-QWRGUYRKSA-N 1 1 195.310 1.220 10 30 ADEEMO CC[C@H](C#N)NC[C@H]1CC[N@@H+](CC)C1 43540259 573841810 /nfs/dbraw/zinc/84/18/10/573841810.db2.gz QCBGKBUHKYSOCB-GHMZBOCLSA-N 1 1 195.310 1.220 10 30 ADEEMO O=CCc1[nH+]cc2ccccn12 258150556 573841950 /nfs/dbraw/zinc/84/19/50/573841950.db2.gz HGCWFEIYPBUKCY-UHFFFAOYSA-N 1 1 160.176 1.076 10 30 ADEEMO O=CCNc1ccc2[nH]c[nH+]c2c1 258968416 573842152 /nfs/dbraw/zinc/84/21/52/573842152.db2.gz WTSCKMXLOYZNKK-UHFFFAOYSA-N 1 1 175.191 1.174 10 30 ADEEMO C[N@H+]1CCC[C@H]([C@H]2C[C@@]2(C)C#N)C1 258968334 573842305 /nfs/dbraw/zinc/84/23/05/573842305.db2.gz HSWBWIGQCIDBTI-AXFHLTTASA-N 1 1 178.279 1.878 10 30 ADEEMO C=C(C)c1nnc([C@H]([NH3+])CS)o1 238160450 573846505 /nfs/dbraw/zinc/84/65/05/573846505.db2.gz MRYURPAXVWQXBU-RXMQYKEDSA-N 1 1 185.252 1.032 10 30 ADEEMO C=CC[N@H+](C)Cc1ccc(N)cn1 131427953 573846593 /nfs/dbraw/zinc/84/65/93/573846593.db2.gz BDUIVCZAXRIJDR-UHFFFAOYSA-N 1 1 177.251 1.282 10 30 ADEEMO C=C(CC=O)[C@@H]1CCC[N@@H+]1C 258158634 573846638 /nfs/dbraw/zinc/84/66/38/573846638.db2.gz KTQHSNUGXWLQSZ-VIFPVBQESA-N 1 1 153.225 1.226 10 30 ADEEMO C[NH2+][C@@H](c1ccc[nH]1)C(C)(C)C#N 259209464 573847457 /nfs/dbraw/zinc/84/74/57/573847457.db2.gz FRJZVBAPPKFKDV-VIFPVBQESA-N 1 1 177.251 1.825 10 30 ADEEMO CCO[C@H](CC=O)[C@H]1CCC[N@@H+](C)C1 257888570 573847538 /nfs/dbraw/zinc/84/75/38/573847538.db2.gz TXIHWEWSUZRMDZ-WDEREUQCSA-N 1 1 199.294 1.322 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@@H]([C@@H](C)O)C1 715026288 573859265 /nfs/dbraw/zinc/85/92/65/573859265.db2.gz WRXOCFJAJIPUKY-HBNTYKKESA-N 1 1 183.295 1.654 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@H]([C@H](C)O)C1 715026286 573859285 /nfs/dbraw/zinc/85/92/85/573859285.db2.gz WRXOCFJAJIPUKY-DCAQKATOSA-N 1 1 183.295 1.654 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CCC[C@H](O)CC1 715028740 573858691 /nfs/dbraw/zinc/85/86/91/573858691.db2.gz LYFQMMSKPQRSNS-MNOVXSKESA-N 1 1 183.295 1.798 10 30 ADEEMO C=CCC[C@H](C)[NH2+]CC(=O)OC(C)C 308768904 573858825 /nfs/dbraw/zinc/85/88/25/573858825.db2.gz ZNSCFBIZABATJA-JTQLQIEISA-N 1 1 199.294 1.882 10 30 ADEEMO C=CC[C@@H](C)[C@H](O)c1c[nH+]c(C)n1C 715028466 573858926 /nfs/dbraw/zinc/85/89/26/573858926.db2.gz JLRNZZHENYBJSL-KCJUWKMLSA-N 1 1 194.278 1.974 10 30 ADEEMO C=CC[C@H](C)[C@@H](O)Cn1cc[nH+]c1C 715028609 573859127 /nfs/dbraw/zinc/85/91/27/573859127.db2.gz ITFVHIQVTSLKIR-ONGXEEELSA-N 1 1 194.278 1.765 10 30 ADEEMO CC(C)C[C@H](C)[N@@H+](C)CC=O 43803531 573861947 /nfs/dbraw/zinc/86/19/47/573861947.db2.gz JAVKZMMAVWNBEB-VIFPVBQESA-N 1 1 157.257 1.552 10 30 ADEEMO C[C@@H]1CC[C@@H](CC#N)C[N@H+]1C 259624183 573865104 /nfs/dbraw/zinc/86/51/04/573865104.db2.gz NUIQUPUMVNOPSW-BDAKNGLRSA-N 1 1 152.241 1.630 10 30 ADEEMO C=CCN(CC)C[C@@H]1CC[NH2+][C@@H]1C 131515403 573865183 /nfs/dbraw/zinc/86/51/83/573865183.db2.gz JSVVEOBVFCJWCH-MNOVXSKESA-N 1 1 182.311 1.492 10 30 ADEEMO Cc1[nH+]cn2c1CCC[C@@H]2CC#N 259576394 573865373 /nfs/dbraw/zinc/86/53/73/573865373.db2.gz DSZJMFYAFYRRSI-SECBINFHSA-N 1 1 175.235 1.983 10 30 ADEEMO C=CCN(CC)CC[C@H](C)[NH2+]CC 131495833 573865374 /nfs/dbraw/zinc/86/53/74/573865374.db2.gz NPKPXUZMGWKSED-NSHDSACASA-N 1 1 184.327 1.882 10 30 ADEEMO CC[C@@H](C#N)[C@H]([NH3+])c1cccnc1 259214814 573865634 /nfs/dbraw/zinc/86/56/34/573865634.db2.gz DYWYXMXINQLNSY-WPRPVWTQSA-N 1 1 175.235 1.631 10 30 ADEEMO CCC(CC)[N@H+](CC=O)CCOC 43803564 573865935 /nfs/dbraw/zinc/86/59/35/573865935.db2.gz RTABGDBBFQTLMW-UHFFFAOYSA-N 1 1 187.283 1.322 10 30 ADEEMO C=CCN(CC)CC[C@@H](C)[NH2+]CC 131496044 573866025 /nfs/dbraw/zinc/86/60/25/573866025.db2.gz NPKPXUZMGWKSED-LLVKDONJSA-N 1 1 184.327 1.882 10 30 ADEEMO C=CC[N@H+](CC)Cc1ccc(N)cn1 131492103 573866132 /nfs/dbraw/zinc/86/61/32/573866132.db2.gz CBSFRJOFBVFYLV-UHFFFAOYSA-N 1 1 191.278 1.672 10 30 ADEEMO C[C@H]1CC[C@H](CC#N)C[N@H+]1C 259624188 573866580 /nfs/dbraw/zinc/86/65/80/573866580.db2.gz NUIQUPUMVNOPSW-DTWKUNHWSA-N 1 1 152.241 1.630 10 30 ADEEMO C=CCN(CC)C[C@H]1C[NH2+]C[C@@H]1C 131503117 573867085 /nfs/dbraw/zinc/86/70/85/573867085.db2.gz CUMWIQYCOVATGD-WDEREUQCSA-N 1 1 182.311 1.350 10 30 ADEEMO Cc1[nH+]c(N)cc(C(F)F)c1CC#N 238549179 573867136 /nfs/dbraw/zinc/86/71/36/573867136.db2.gz CTDYBHXYJKHMKE-UHFFFAOYSA-N 1 1 197.188 1.976 10 30 ADEEMO Nc1ccc2[nH+]cc(CS)n2c1 258439675 573867264 /nfs/dbraw/zinc/86/72/64/573867264.db2.gz FEDQVDWVCKCLAM-UHFFFAOYSA-N 1 1 179.248 1.346 10 30 ADEEMO C#CCC[N@H+](C)C[C@@H]1C[C@H](C)O[C@@H]1C 686347095 573876401 /nfs/dbraw/zinc/87/64/01/573876401.db2.gz TXJKQCQLZFQTMY-TUAOUCFPSA-N 1 1 195.306 1.755 10 30 ADEEMO N#CC[C@@H]1CCC[N@H+]2CCC[C@@H]12 259575889 573875923 /nfs/dbraw/zinc/87/59/23/573875923.db2.gz DQKZFLXUZQYDRM-UWVGGRQHSA-N 1 1 164.252 1.774 10 30 ADEEMO C=CC[C@H](C)[C@]1(O)CC[N@H+](CC)C1 715036477 573876043 /nfs/dbraw/zinc/87/60/43/573876043.db2.gz ODOVPEIRBQLFHW-QWRGUYRKSA-N 1 1 183.295 1.655 10 30 ADEEMO C=CCN(C)C[C@@H]1CC[NH2+][C@@H]1C 131452616 573876170 /nfs/dbraw/zinc/87/61/70/573876170.db2.gz VGZHIIFLJQLXIZ-ZJUUUORDSA-N 1 1 168.284 1.102 10 30 ADEEMO C[N@H+]1CCC[C@@H](c2cc(C#N)no2)C1 259217542 573878412 /nfs/dbraw/zinc/87/84/12/573878412.db2.gz JDBABGQBNJVJCJ-MRVPVSSYSA-N 1 1 191.234 1.355 10 30 ADEEMO C[N@H+]1CC[C@H](C(F)(F)CC#N)C1 258983499 573878427 /nfs/dbraw/zinc/87/84/27/573878427.db2.gz KCLGVDWGXYRKRQ-ZETCQYMHSA-N 1 1 174.194 1.487 10 30 ADEEMO C#CCCCc1ccc[nH+]c1N 69944236 573883974 /nfs/dbraw/zinc/88/39/74/573883974.db2.gz QDYWGXDITUKQRG-UHFFFAOYSA-N 1 1 160.220 1.620 10 30 ADEEMO C[N@H+]1CCC[C@H]([C@@H]2C[C@H]2C#N)C1 258986710 573884032 /nfs/dbraw/zinc/88/40/32/573884032.db2.gz AJGQGBSSSPPKBB-GUBZILKMSA-N 1 1 164.252 1.488 10 30 ADEEMO C[C@@H](C=O)[N@@H+](CCCO)C(C)(C)C 690068839 573884049 /nfs/dbraw/zinc/88/40/49/573884049.db2.gz AAFNXRNIJZPMJO-VIFPVBQESA-N 1 1 187.283 1.057 10 30 ADEEMO C=CC[N@H+](C)C[C@@H](C[NH3+])C(C)C 131475658 573884319 /nfs/dbraw/zinc/88/43/19/573884319.db2.gz GTNCGGMOPGFKPR-SNVBAGLBSA-N 1 1 170.300 1.335 10 30 ADEEMO C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]2C#N)C1 258986707 573884389 /nfs/dbraw/zinc/88/43/89/573884389.db2.gz AJGQGBSSSPPKBB-AEJSXWLSSA-N 1 1 164.252 1.488 10 30 ADEEMO C[C@H](C=O)[N@@H+](CCCO)C(C)(C)C 690068815 573884450 /nfs/dbraw/zinc/88/44/50/573884450.db2.gz AAFNXRNIJZPMJO-SECBINFHSA-N 1 1 187.283 1.057 10 30 ADEEMO C=CC[N@@H+]1C[C@H](C)[C@@H](O)C[C@@H]1C 144905430 573885997 /nfs/dbraw/zinc/88/59/97/573885997.db2.gz IEFWBNNEUNBEAY-GUBZILKMSA-N 1 1 169.268 1.264 10 30 ADEEMO N#Cc1ccn2c[nH+]cc2c1Cl 238560718 573886158 /nfs/dbraw/zinc/88/61/58/573886158.db2.gz RWKFZUUJLJRYKI-UHFFFAOYSA-N 1 1 177.594 1.859 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CCOC[C@H]1CCO 715044844 573886333 /nfs/dbraw/zinc/88/63/33/573886333.db2.gz BCHVUUXUAIXUIC-GHMZBOCLSA-N 1 1 199.294 1.034 10 30 ADEEMO CC[C@@H](C)[N@H+]1CC[C@H](C#N)C1 84426713 573890448 /nfs/dbraw/zinc/89/04/48/573890448.db2.gz GLJNVLBVLKNJKK-RKDXNWHRSA-N 1 1 152.241 1.630 10 30 ADEEMO C=CC[C@@H](N)C[N@H+]1CC[C@@H](C(C)C)C1 320343034 573890460 /nfs/dbraw/zinc/89/04/60/573890460.db2.gz DBCJFDUAEZCXFY-VXGBXAGGSA-N 1 1 196.338 1.868 10 30 ADEEMO C=CC[C@@H](N)C[N@@H+]1CC[C@@H](C(C)C)C1 320343034 573890464 /nfs/dbraw/zinc/89/04/64/573890464.db2.gz DBCJFDUAEZCXFY-VXGBXAGGSA-N 1 1 196.338 1.868 10 30 ADEEMO CC(C)[N@@H+]1CCSC[C@H]1CC#N 259577657 573890513 /nfs/dbraw/zinc/89/05/13/573890513.db2.gz BDBBGQOVFHXVNB-SECBINFHSA-N 1 1 184.308 1.726 10 30 ADEEMO CC(C)[N@H+]1CCSC[C@H]1CC#N 259577657 573890518 /nfs/dbraw/zinc/89/05/18/573890518.db2.gz BDBBGQOVFHXVNB-SECBINFHSA-N 1 1 184.308 1.726 10 30 ADEEMO CCC[N@H+]1CC[C@H](CC#N)C1 84426717 573891049 /nfs/dbraw/zinc/89/10/49/573891049.db2.gz HLJHBBKTTPTFMX-VIFPVBQESA-N 1 1 152.241 1.632 10 30 ADEEMO C=CC[N@@H+](C[C@H]1CC[NH2+][C@H]1C)C(C)C 131620526 573891199 /nfs/dbraw/zinc/89/11/99/573891199.db2.gz BNLMZVXPNVNIAW-NWDGAFQWSA-N 1 1 196.338 1.881 10 30 ADEEMO C=C(Cl)C[N@@H+](C)CC1CC(O)C1 84453664 573898659 /nfs/dbraw/zinc/89/86/59/573898659.db2.gz SYNGASAHZLRQIJ-UHFFFAOYSA-N 1 1 189.686 1.442 10 30 ADEEMO CC(C)[N@@H+](C)C1CCC(N)(C#N)CC1 259224658 573898668 /nfs/dbraw/zinc/89/86/68/573898668.db2.gz AZXLJDKHLQHKOX-UHFFFAOYSA-N 1 1 195.310 1.490 10 30 ADEEMO C=CC[C@@H](C)[N@@H+](C)C(C)(C)CN 715052026 573898835 /nfs/dbraw/zinc/89/88/35/573898835.db2.gz GQFONGCKEBYICL-SECBINFHSA-N 1 1 170.300 1.620 10 30 ADEEMO C=C[C@H](C)[C@@H]([NH2+]CCC)C(=O)OC 308460955 573899161 /nfs/dbraw/zinc/89/91/61/573899161.db2.gz HMNPBXUFVMCEOD-DTWKUNHWSA-N 1 1 185.267 1.350 10 30 ADEEMO C=CCN(CC)C[C@@]1(C)CCC[NH2+]C1 131537233 573901097 /nfs/dbraw/zinc/90/10/97/573901097.db2.gz AHEXRAIMGOUMPZ-LBPRGKRZSA-N 1 1 196.338 1.884 10 30 ADEEMO CC[C@H](C#N)CN[C@H]1CCC[N@H+](C)C1 258998032 573901372 /nfs/dbraw/zinc/90/13/72/573901372.db2.gz NNONKPJUVXCZHP-MNOVXSKESA-N 1 1 195.310 1.220 10 30 ADEEMO CC[C@H](C#N)CN[C@H]1CCC[N@@H+](C)C1 258998032 573901378 /nfs/dbraw/zinc/90/13/78/573901378.db2.gz NNONKPJUVXCZHP-MNOVXSKESA-N 1 1 195.310 1.220 10 30 ADEEMO C[C@@H]1C[N@@H+](CCC[C@@H]2CO2)CCCO1 308461005 573901427 /nfs/dbraw/zinc/90/14/27/573901427.db2.gz DFTWUXHDWRLKBR-GHMZBOCLSA-N 1 1 199.294 1.276 10 30 ADEEMO C[NH2+][C@@H](S)c1ccc[nH]1 259225259 573901499 /nfs/dbraw/zinc/90/14/99/573901499.db2.gz GGXDLXZUGZXIIQ-LURJTMIESA-N 1 1 142.227 1.163 10 30 ADEEMO CC[C@H](C/C(N)=N/O)[N@@H+](C)C1CCC1 127462240 573901619 /nfs/dbraw/zinc/90/16/19/573901619.db2.gz AIVUBLFSUSXKFT-MRVPVSSYSA-N 1 1 199.298 1.386 10 30 ADEEMO [NH3+][C@H](C=O)c1coc2ccccc12 259230256 573902802 /nfs/dbraw/zinc/90/28/02/573902802.db2.gz HHWJQWZIOBZOKY-SECBINFHSA-N 1 1 175.187 1.632 10 30 ADEEMO CC(C)(C#N)[C@H]([NH3+])c1cc[nH]c1 259226156 573902894 /nfs/dbraw/zinc/90/28/94/573902894.db2.gz FJWQHFLLTBDWFB-MRVPVSSYSA-N 1 1 163.224 1.564 10 30 ADEEMO C=CC[N@H+](CCC)C[C@H]1C[NH2+]C[C@@H]1C 131560157 573903172 /nfs/dbraw/zinc/90/31/72/573903172.db2.gz YZQWBIFXWKBABP-NWDGAFQWSA-N 1 1 196.338 1.740 10 30 ADEEMO CC(C)(C#N)[C@@H]([NH3+])c1cc[nH]c1 259226159 573903322 /nfs/dbraw/zinc/90/33/22/573903322.db2.gz FJWQHFLLTBDWFB-QMMMGPOBSA-N 1 1 163.224 1.564 10 30 ADEEMO C[C@@H](C#N)C[N@@H+](C)[C@@H]1CCCC[C@@H]1O 44413498 573906992 /nfs/dbraw/zinc/90/69/92/573906992.db2.gz HSPBXEWAANKLTH-AXFHLTTASA-N 1 1 196.294 1.381 10 30 ADEEMO C=CCN(C[C@@H](C)[NH3+])C(C)(C)C 131713563 573907152 /nfs/dbraw/zinc/90/71/52/573907152.db2.gz XBWLSIHJMRIHKJ-SECBINFHSA-N 1 1 170.300 1.620 10 30 ADEEMO C=CC[N@@H+](C[C@@H](C)N)C(C)(C)C 131713563 573907160 /nfs/dbraw/zinc/90/71/60/573907160.db2.gz XBWLSIHJMRIHKJ-SECBINFHSA-N 1 1 170.300 1.620 10 30 ADEEMO C=CC[N@H+](C[C@@H](C)N)C(C)(C)C 131713563 573907163 /nfs/dbraw/zinc/90/71/63/573907163.db2.gz XBWLSIHJMRIHKJ-SECBINFHSA-N 1 1 170.300 1.620 10 30 ADEEMO C#CC[NH2+][C@](C)(CN)CCC(C)(C)C 393653774 573907461 /nfs/dbraw/zinc/90/74/61/573907461.db2.gz BNKGHOKBKMYPHW-LBPRGKRZSA-N 1 1 196.338 1.753 10 30 ADEEMO CC[N@@H+](C[C@@H](C)C#N)[C@@H]1CCC[C@@H]1O 44413215 573907600 /nfs/dbraw/zinc/90/76/00/573907600.db2.gz VSVRCNBFXGRDDK-AXFHLTTASA-N 1 1 196.294 1.381 10 30 ADEEMO CCC[C@H]1C[N@@H+](C)CCC1=NN 388454630 573913681 /nfs/dbraw/zinc/91/36/81/573913681.db2.gz ZJVASFKVZSBXLL-QMMMGPOBSA-N 1 1 169.272 1.053 10 30 ADEEMO C[C@H](CC#N)NC[C@@H]1CCC[N@@H+](C)C1 44536678 573913898 /nfs/dbraw/zinc/91/38/98/573913898.db2.gz HZLDUWAGYJPVLP-MNOVXSKESA-N 1 1 195.310 1.220 10 30 ADEEMO C=CCN(C[C@@]1(C)CC[NH2+]C1)C1CC1 131658398 573913913 /nfs/dbraw/zinc/91/39/13/573913913.db2.gz QZSQCTITGKQTAZ-LBPRGKRZSA-N 1 1 194.322 1.636 10 30 ADEEMO C=CC[C@H](C)[N@@H+](CC)CCO 715058746 573914027 /nfs/dbraw/zinc/91/40/27/573914027.db2.gz SSISANOSPGBVLO-VIFPVBQESA-N 1 1 157.257 1.265 10 30 ADEEMO C=CC[C@H](C)[N@@H+](C)C[C@H](O)C1CC1 715058289 573914033 /nfs/dbraw/zinc/91/40/33/573914033.db2.gz NXQJFXIEJDNRMP-ONGXEEELSA-N 1 1 183.295 1.654 10 30 ADEEMO [NH3+][C@H](C=O)c1ccc2c(c1)CCCO2 259236272 573914131 /nfs/dbraw/zinc/91/41/31/573914131.db2.gz HNXBDARHLJANJP-SNVBAGLBSA-N 1 1 191.230 1.210 10 30 ADEEMO C=CCN(C[C@@H]1C[NH2+]C[C@@H]1C)C1CC1 131659497 573914256 /nfs/dbraw/zinc/91/42/56/573914256.db2.gz JKTYDGWDZUDCKQ-QWRGUYRKSA-N 1 1 194.322 1.492 10 30 ADEEMO CC[C@@H](C#N)NC[C@@H]1CCCC[N@H+]1C 44562842 573914937 /nfs/dbraw/zinc/91/49/37/573914937.db2.gz TZESIWBRIKLHKT-QWRGUYRKSA-N 1 1 195.310 1.362 10 30 ADEEMO C[N@H+]1CC[C@H](/C=C\CC=O)C1 258180678 573914474 /nfs/dbraw/zinc/91/44/74/573914474.db2.gz LZQDGWDFMZZVOW-MDHMXLOGSA-N 1 1 153.225 1.083 10 30 ADEEMO C=CCN(C[C@H]1C[NH2+]C[C@@H]1C)C1CC1 131659091 573914700 /nfs/dbraw/zinc/91/47/00/573914700.db2.gz JKTYDGWDZUDCKQ-WDEREUQCSA-N 1 1 194.322 1.492 10 30 ADEEMO C=CCN(C[C@]1(C)CC[NH2+]C1)C1CC1 131658614 573914717 /nfs/dbraw/zinc/91/47/17/573914717.db2.gz QZSQCTITGKQTAZ-GFCCVEGCSA-N 1 1 194.322 1.636 10 30 ADEEMO C[C@@H](C#N)CNC[C@H]1CCCC[N@H+]1C 44562359 573914749 /nfs/dbraw/zinc/91/47/49/573914749.db2.gz VCAMROWCFDJPRK-WDEREUQCSA-N 1 1 195.310 1.220 10 30 ADEEMO C=CCN(CC[C@@H]1CCC[NH2+]1)C1CC1 131651353 573914752 /nfs/dbraw/zinc/91/47/52/573914752.db2.gz VUWNJVOJCSUPNR-NSHDSACASA-N 1 1 194.322 1.779 10 30 ADEEMO C[C@@H](C#N)C[NH2+]C[C@H]1CCCCN1C 44562359 573914754 /nfs/dbraw/zinc/91/47/54/573914754.db2.gz VCAMROWCFDJPRK-WDEREUQCSA-N 1 1 195.310 1.220 10 30 ADEEMO CCC[N@@H+](CCCC#N)CCN(C)C 44572731 573914848 /nfs/dbraw/zinc/91/48/48/573914848.db2.gz SXCGFCZUCRSDHW-UHFFFAOYSA-N 1 1 197.326 1.564 10 30 ADEEMO CCCN(CCCC#N)CC[NH+](C)C 44572731 573914854 /nfs/dbraw/zinc/91/48/54/573914854.db2.gz SXCGFCZUCRSDHW-UHFFFAOYSA-N 1 1 197.326 1.564 10 30 ADEEMO CC[C@H](C#N)NC[C@@H]1CCCC[N@H+]1C 44562843 573914889 /nfs/dbraw/zinc/91/48/89/573914889.db2.gz TZESIWBRIKLHKT-MNOVXSKESA-N 1 1 195.310 1.362 10 30 ADEEMO C[C@H](C#N)CNC[C@@H]1CCCC[N@H+]1C 44562356 573915139 /nfs/dbraw/zinc/91/51/39/573915139.db2.gz VCAMROWCFDJPRK-MNOVXSKESA-N 1 1 195.310 1.220 10 30 ADEEMO C[C@H](C#N)C[NH2+]C[C@@H]1CCCCN1C 44562356 573915144 /nfs/dbraw/zinc/91/51/44/573915144.db2.gz VCAMROWCFDJPRK-MNOVXSKESA-N 1 1 195.310 1.220 10 30 ADEEMO CC[C@@H](C#N)N[C@@H]1CC[N@H+](C2CC2)C1 44721183 573915168 /nfs/dbraw/zinc/91/51/68/573915168.db2.gz MMZDMCHTLBRGNX-VHSXEESVSA-N 1 1 193.294 1.115 10 30 ADEEMO C=CC[C@H](C)[N@@H+](CCO)C1CC1 715059162 573915189 /nfs/dbraw/zinc/91/51/89/573915189.db2.gz YNENMXZBIFBARG-VIFPVBQESA-N 1 1 169.268 1.408 10 30 ADEEMO C[C@H](C#N)CNC[C@H]1CCCC[N@H+]1C 44562358 573915382 /nfs/dbraw/zinc/91/53/82/573915382.db2.gz VCAMROWCFDJPRK-GHMZBOCLSA-N 1 1 195.310 1.220 10 30 ADEEMO C[C@H](C#N)C[NH2+]C[C@H]1CCCCN1C 44562358 573915386 /nfs/dbraw/zinc/91/53/86/573915386.db2.gz VCAMROWCFDJPRK-GHMZBOCLSA-N 1 1 195.310 1.220 10 30 ADEEMO CC[N@@H+](CCC[C@@H]1CO1)C[C@H](C)C#N 308464750 573926702 /nfs/dbraw/zinc/92/67/02/573926702.db2.gz FWAVVCMAOZYDNO-GHMZBOCLSA-N 1 1 196.294 1.647 10 30 ADEEMO C=CC[N@@H+](CC1(N)CC1)C(C)(C)C 131723371 573926786 /nfs/dbraw/zinc/92/67/86/573926786.db2.gz MBSUNBUSAZBFMT-UHFFFAOYSA-N 1 1 182.311 1.764 10 30 ADEEMO C=CCN(CC1([NH3+])CC1)C(C)(C)C 131723371 573926791 /nfs/dbraw/zinc/92/67/91/573926791.db2.gz MBSUNBUSAZBFMT-UHFFFAOYSA-N 1 1 182.311 1.764 10 30 ADEEMO C[NH2+][C@@H](CCC#N)[C@@H]1CCCN(C)C1 259240800 573926802 /nfs/dbraw/zinc/92/68/02/573926802.db2.gz GUUIBHPWFNFKDW-MNOVXSKESA-N 1 1 195.310 1.220 10 30 ADEEMO C=C(CS)Cn1cc(C)[nH+]c1C 715066143 573926960 /nfs/dbraw/zinc/92/69/60/573926960.db2.gz KLJXMSOZRLVXFY-UHFFFAOYSA-N 1 1 182.292 1.986 10 30 ADEEMO N#CC[C@H]1CCC[N@H+]1[C@@H]1CCCOC1 259586270 573934597 /nfs/dbraw/zinc/93/45/97/573934597.db2.gz BXJJVRQOAIBLSO-GHMZBOCLSA-N 1 1 194.278 1.543 10 30 ADEEMO C[N@@H+](CCC[C@](C)(N)C#N)C1CCC1 127733704 573934130 /nfs/dbraw/zinc/93/41/30/573934130.db2.gz FZZCXVMDEVMVNL-NSHDSACASA-N 1 1 195.310 1.492 10 30 ADEEMO CC[N@H+]1CCC[C@H]([C@@H](CC=O)OC)C1 257904563 573934282 /nfs/dbraw/zinc/93/42/82/573934282.db2.gz WGNUBUNAZGHTIY-WDEREUQCSA-N 1 1 199.294 1.322 10 30 ADEEMO CCN[C@H](C#N)CC[N@@H+](C)C1CCC1 127741315 573934352 /nfs/dbraw/zinc/93/43/52/573934352.db2.gz YIDYGDXEEDTWPK-JTQLQIEISA-N 1 1 195.310 1.362 10 30 ADEEMO C=CC[C@@H]([NH3+])c1nc(CC(C)C)no1 127739509 573934461 /nfs/dbraw/zinc/93/44/61/573934461.db2.gz LHGOIOMOYJDPOK-MRVPVSSYSA-N 1 1 195.266 1.844 10 30 ADEEMO C=CC[N@@H+](CC)[C@@H]1C[C@@H](C)OC1=O 308467316 573937666 /nfs/dbraw/zinc/93/76/66/573937666.db2.gz JIVLCBDQTICJCO-RKDXNWHRSA-N 1 1 183.251 1.198 10 30 ADEEMO C=CC[N@H+](CC)[C@@H]1C[C@@H](C)OC1=O 308467316 573937673 /nfs/dbraw/zinc/93/76/73/573937673.db2.gz JIVLCBDQTICJCO-RKDXNWHRSA-N 1 1 183.251 1.198 10 30 ADEEMO C[N@H+]1CCC[C@@H](c2c[nH]c(C#N)n2)C1 259023878 573941220 /nfs/dbraw/zinc/94/12/20/573941220.db2.gz FOQHZRZPWJTBAH-MRVPVSSYSA-N 1 1 190.250 1.091 10 30 ADEEMO COc1cccc2c[nH+]c(CC=O)n12 258184135 573941390 /nfs/dbraw/zinc/94/13/90/573941390.db2.gz IOPLIVYLDVYLFC-UHFFFAOYSA-N 1 1 190.202 1.084 10 30 ADEEMO Cc1ccc([C@H]([NH3+])C=O)c(C)c1 259246724 573946250 /nfs/dbraw/zinc/94/62/50/573946250.db2.gz HZNOJHIUEOWQJT-SNVBAGLBSA-N 1 1 163.220 1.502 10 30 ADEEMO CCO[C@H]1CCC[N@@H+]([C@@H](C)CC#N)C1 42422333 573946398 /nfs/dbraw/zinc/94/63/98/573946398.db2.gz JHASXDOPTZUFNE-QWRGUYRKSA-N 1 1 196.294 1.789 10 30 ADEEMO CCO[C@H]1CCC[N@H+]([C@@H](C)CC#N)C1 42422333 573946403 /nfs/dbraw/zinc/94/64/03/573946403.db2.gz JHASXDOPTZUFNE-QWRGUYRKSA-N 1 1 196.294 1.789 10 30 ADEEMO CCO[C@@H]1CCC[N@H+](C[C@@H](C)C#N)C1 42422290 573946507 /nfs/dbraw/zinc/94/65/07/573946507.db2.gz YGXWOOOOGMRBHE-WDEREUQCSA-N 1 1 196.294 1.647 10 30 ADEEMO CCO[C@@H]1CCC[N@@H+](C[C@@H](C)C#N)C1 42422290 573946509 /nfs/dbraw/zinc/94/65/09/573946509.db2.gz YGXWOOOOGMRBHE-WDEREUQCSA-N 1 1 196.294 1.647 10 30 ADEEMO Cc1ccccc1C[N@@H+](C)C[C@H]1CO1 42436040 573947854 /nfs/dbraw/zinc/94/78/54/573947854.db2.gz HUDOTICFQORFRU-LBPRGKRZSA-N 1 1 191.274 1.826 10 30 ADEEMO Cc1cccc(C[N@@H+](C)C[C@@H]2CO2)c1 42435799 573948098 /nfs/dbraw/zinc/94/80/98/573948098.db2.gz XOGBUHPPSAMMBD-GFCCVEGCSA-N 1 1 191.274 1.826 10 30 ADEEMO CC[C@@H](CC#N)[NH2+]C[C@@H](C)N(C)C 45107519 573951977 /nfs/dbraw/zinc/95/19/77/573951977.db2.gz RUJSHXJZYBXJNO-ZJUUUORDSA-N 1 1 183.299 1.218 10 30 ADEEMO C[N@@H+](Cc1ccoc1)C[C@H]1CO1 42448223 573952323 /nfs/dbraw/zinc/95/23/23/573952323.db2.gz SDDWNQQCGMYSIY-VIFPVBQESA-N 1 1 167.208 1.110 10 30 ADEEMO C[N@H+](Cc1ccoc1)C[C@H]1CO1 42448223 573952326 /nfs/dbraw/zinc/95/23/26/573952326.db2.gz SDDWNQQCGMYSIY-VIFPVBQESA-N 1 1 167.208 1.110 10 30 ADEEMO COCC[N@H+]1C[C@H](CC#N)CC1(C)C 259249258 573952328 /nfs/dbraw/zinc/95/23/28/573952328.db2.gz FDFUXPCNYXZGRY-SNVBAGLBSA-N 1 1 196.294 1.647 10 30 ADEEMO CCOc1ccc([C@H]([NH3+])C=O)cc1 259249301 573952379 /nfs/dbraw/zinc/95/23/79/573952379.db2.gz IBBYIENKBFBUGW-SNVBAGLBSA-N 1 1 179.219 1.284 10 30 ADEEMO C[N@@H+](Cc1ccoc1)C[C@@H]1CO1 42448221 573955415 /nfs/dbraw/zinc/95/54/15/573955415.db2.gz SDDWNQQCGMYSIY-SECBINFHSA-N 1 1 167.208 1.110 10 30 ADEEMO C[N@H+](Cc1ccoc1)C[C@@H]1CO1 42448221 573955420 /nfs/dbraw/zinc/95/54/20/573955420.db2.gz SDDWNQQCGMYSIY-SECBINFHSA-N 1 1 167.208 1.110 10 30 ADEEMO C[C@]([NH3+])(C#N)CCOC1CCCC1 45209139 573955430 /nfs/dbraw/zinc/95/54/30/573955430.db2.gz GNSCABHYUHUHEK-SNVBAGLBSA-N 1 1 182.267 1.577 10 30 ADEEMO C[N@H+]1CC[C@@H](C(=O)C(C)(C)C#N)C1 259250856 573955473 /nfs/dbraw/zinc/95/54/73/573955473.db2.gz SBWQJPLMTKWTON-MRVPVSSYSA-N 1 1 180.251 1.057 10 30 ADEEMO CCC[N@H+](C[C@](C)(N)C#N)C1CC1 45176052 573963237 /nfs/dbraw/zinc/96/32/37/573963237.db2.gz QTZZSXYFNAESQP-SNVBAGLBSA-N 1 1 181.283 1.102 10 30 ADEEMO CCC[N@@H+](C[C@](C)(N)C#N)C1CC1 45176052 573963239 /nfs/dbraw/zinc/96/32/39/573963239.db2.gz QTZZSXYFNAESQP-SNVBAGLBSA-N 1 1 181.283 1.102 10 30 ADEEMO CCCC[N@@H+](C)CC[C@](C)(N)C#N 45178226 573963257 /nfs/dbraw/zinc/96/32/57/573963257.db2.gz DBPAEBCRAAWHCQ-JTQLQIEISA-N 1 1 183.299 1.349 10 30 ADEEMO CC(C)[N@@H+](CC1CC1)C[C@@](C)(N)C#N 45177836 573963274 /nfs/dbraw/zinc/96/32/74/573963274.db2.gz TXRGUPKYISETNC-NSHDSACASA-N 1 1 195.310 1.348 10 30 ADEEMO CCN[C@](C)(C#N)CC[N@@H+](C)C1CC1 45180124 573963298 /nfs/dbraw/zinc/96/32/98/573963298.db2.gz OTYTUJDTCJOQHS-NSHDSACASA-N 1 1 195.310 1.362 10 30 ADEEMO CC(C)COCCC[C@@](C)([NH3+])C#N 45325860 573963319 /nfs/dbraw/zinc/96/33/19/573963319.db2.gz WXZXEMHJBKTHKR-SNVBAGLBSA-N 1 1 184.283 1.680 10 30 ADEEMO CCN[C@@](C)(C#N)Cn1cc[nH+]c1C 45183670 573963328 /nfs/dbraw/zinc/96/33/28/573963328.db2.gz ZVGTWJMSWGDICR-JTQLQIEISA-N 1 1 192.266 1.083 10 30 ADEEMO CCc1[nH+]ccn1CC[C@@](C)(N)C#N 45207231 573963337 /nfs/dbraw/zinc/96/33/37/573963337.db2.gz HDMHWZKLDXOBIA-SNVBAGLBSA-N 1 1 192.266 1.077 10 30 ADEEMO CCC[N@@H+](CC)CC[C@@](C)(C#N)NC 45180574 573963367 /nfs/dbraw/zinc/96/33/67/573963367.db2.gz CROFXAPTRHYOFB-NSHDSACASA-N 1 1 197.326 1.610 10 30 ADEEMO C=CC[C@H]([NH3+])c1nc([C@@H](C)OC)no1 127794346 573963454 /nfs/dbraw/zinc/96/34/54/573963454.db2.gz KBNZFVGFZNHLMQ-RQJHMYQMSA-N 1 1 197.238 1.353 10 30 ADEEMO CC(C)[N@H+](CCC#N)C[C@@H]1CO1 42528633 573963458 /nfs/dbraw/zinc/96/34/58/573963458.db2.gz DBICHTQIFRZDBZ-SECBINFHSA-N 1 1 168.240 1.009 10 30 ADEEMO CC(C)[N@@H+](CCC#N)C[C@@H]1CO1 42528633 573963467 /nfs/dbraw/zinc/96/34/67/573963467.db2.gz DBICHTQIFRZDBZ-SECBINFHSA-N 1 1 168.240 1.009 10 30 ADEEMO CCC(CC)[N@@H+](CCO)[C@@H](C)CC#N 42505546 573963489 /nfs/dbraw/zinc/96/34/89/573963489.db2.gz GDYTYMFLPFWXBF-JTQLQIEISA-N 1 1 198.310 1.771 10 30 ADEEMO C[N@@H+](CC[C@@](C)(N)C#N)CC(C)(C)C 45182755 573963662 /nfs/dbraw/zinc/96/36/62/573963662.db2.gz FCVOBGUKAFQBRG-LLVKDONJSA-N 1 1 197.326 1.595 10 30 ADEEMO CC(C)[N@@H+](CCCO)C[C@@H](C)C#N 42504133 573963672 /nfs/dbraw/zinc/96/36/72/573963672.db2.gz GONYYVQGPRPVDO-JTQLQIEISA-N 1 1 184.283 1.239 10 30 ADEEMO CCC[N@H+](C[C@@](C)(N)C#N)C1CC1 45176054 573963690 /nfs/dbraw/zinc/96/36/90/573963690.db2.gz QTZZSXYFNAESQP-JTQLQIEISA-N 1 1 181.283 1.102 10 30 ADEEMO CCC[N@@H+](C[C@@](C)(N)C#N)C1CC1 45176054 573963695 /nfs/dbraw/zinc/96/36/95/573963695.db2.gz QTZZSXYFNAESQP-JTQLQIEISA-N 1 1 181.283 1.102 10 30 ADEEMO CC(C)[N@@H+](CCC#N)C[C@@H]1CCOC1 42530806 573963722 /nfs/dbraw/zinc/96/37/22/573963722.db2.gz VXRUAEWDAZXBRX-NSHDSACASA-N 1 1 196.294 1.647 10 30 ADEEMO CC(C)C[N@@H+](C[C@@](C)(N)C#N)C(C)C 45177794 573963757 /nfs/dbraw/zinc/96/37/57/573963757.db2.gz PQVQUZBRNIJLIU-NSHDSACASA-N 1 1 197.326 1.594 10 30 ADEEMO CCCC[N@@H+](C)CC[C@](C)(C#N)NC 45178232 573963790 /nfs/dbraw/zinc/96/37/90/573963790.db2.gz GERBXKDRPDRVRK-LLVKDONJSA-N 1 1 197.326 1.610 10 30 ADEEMO CCCN[C@@](C)(C#N)CC[N@@H+](C)CC 45180068 573963826 /nfs/dbraw/zinc/96/38/26/573963826.db2.gz MPUAQSMUGYIPNQ-LLVKDONJSA-N 1 1 197.326 1.610 10 30 ADEEMO C[NH2+][C@@H](CC#N)c1ccc[nH]1 259250956 573963854 /nfs/dbraw/zinc/96/38/54/573963854.db2.gz HFVWJZKLGNWDKL-ZETCQYMHSA-N 1 1 149.197 1.189 10 30 ADEEMO CC(C)CC[N@H+](C)C[C@@](C)(N)C#N 45177884 573963865 /nfs/dbraw/zinc/96/38/65/573963865.db2.gz IHZIQYDBZOULGW-JTQLQIEISA-N 1 1 183.299 1.205 10 30 ADEEMO CC(C)CC[N@@H+](C)C[C@@](C)(N)C#N 45177884 573963873 /nfs/dbraw/zinc/96/38/73/573963873.db2.gz IHZIQYDBZOULGW-JTQLQIEISA-N 1 1 183.299 1.205 10 30 ADEEMO CC(C)CC[N@@H+](C)CC[C@](C)(N)C#N 45183194 573963902 /nfs/dbraw/zinc/96/39/02/573963902.db2.gz KVVLOPGZQTVPAC-NSHDSACASA-N 1 1 197.326 1.595 10 30 ADEEMO CCC(CC)[N@@H+](C)CC[C@](C)(N)C#N 45180922 573963921 /nfs/dbraw/zinc/96/39/21/573963921.db2.gz WBSNBJFWNLMXCH-NSHDSACASA-N 1 1 197.326 1.738 10 30 ADEEMO CC[C@H](CC#N)[N@H+](CCOC)C1CC1 42518250 573963928 /nfs/dbraw/zinc/96/39/28/573963928.db2.gz KCFJNLWUFMXDNZ-SNVBAGLBSA-N 1 1 196.294 1.789 10 30 ADEEMO C[C@]([NH3+])(C#N)CCCOCC1CC1 45326369 573963933 /nfs/dbraw/zinc/96/39/33/573963933.db2.gz YRFASZBCWLFDOT-SNVBAGLBSA-N 1 1 182.267 1.434 10 30 ADEEMO CC[C@H](CC#N)[N@@H+](CCOC)C1CC1 42518250 573963935 /nfs/dbraw/zinc/96/39/35/573963935.db2.gz KCFJNLWUFMXDNZ-SNVBAGLBSA-N 1 1 196.294 1.789 10 30 ADEEMO CCC[N@@H+](C)CC[C@@](C)(C#N)NCC 45179995 573963956 /nfs/dbraw/zinc/96/39/56/573963956.db2.gz WCHHZUJNXMXMDP-NSHDSACASA-N 1 1 197.326 1.610 10 30 ADEEMO C[N@@H+](CC[C@](C)(N)C#N)C1CCCC1 45180298 573963978 /nfs/dbraw/zinc/96/39/78/573963978.db2.gz QNSOKTPINSBNBU-NSHDSACASA-N 1 1 195.310 1.492 10 30 ADEEMO CCC[N@@H+](CC)CC[C@](C)(N)C#N 45180568 573965520 /nfs/dbraw/zinc/96/55/20/573965520.db2.gz NEMNJGAMADKIEU-JTQLQIEISA-N 1 1 183.299 1.349 10 30 ADEEMO CCC[N@@H+](CC1CC1)C[C@](C)(N)C#N 45177148 573965544 /nfs/dbraw/zinc/96/55/44/573965544.db2.gz JVRUICHLYXJKLS-LLVKDONJSA-N 1 1 195.310 1.349 10 30 ADEEMO COC[C@@H](C)[N@@H+](C)[C@@H]1CCC[C@@H]1C#N 42518218 573965550 /nfs/dbraw/zinc/96/55/50/573965550.db2.gz BPSSPONKHHFBRA-GMTAPVOTSA-N 1 1 196.294 1.645 10 30 ADEEMO CN[C@@](C)(C#N)CC[N@@H+](C)CC1CC1 45181498 573965575 /nfs/dbraw/zinc/96/55/75/573965575.db2.gz SYYDKVDBVRFHDU-LLVKDONJSA-N 1 1 195.310 1.220 10 30 ADEEMO CCC(CC)[N@@H+](CCO)CCC#N 42505239 573965674 /nfs/dbraw/zinc/96/56/74/573965674.db2.gz CITZYACQUCOHEW-UHFFFAOYSA-N 1 1 184.283 1.383 10 30 ADEEMO C[C@@]([NH3+])(C#N)CCCCOCC1CC1 45326346 573965692 /nfs/dbraw/zinc/96/56/92/573965692.db2.gz SYLYSOMLEVGWBW-NSHDSACASA-N 1 1 196.294 1.824 10 30 ADEEMO C#CC[C@@H]([NH3+])c1nc(CCCC)no1 127791861 573965818 /nfs/dbraw/zinc/96/58/18/573965818.db2.gz FAKZQCXHMCXDIJ-MRVPVSSYSA-N 1 1 193.250 1.435 10 30 ADEEMO CCC(CC)[N@@H+](CCO)[C@H](C)CC#N 42505549 573966026 /nfs/dbraw/zinc/96/60/26/573966026.db2.gz GDYTYMFLPFWXBF-SNVBAGLBSA-N 1 1 198.310 1.771 10 30 ADEEMO CCCCC[N@H+](C[C@@H](N)C#N)C(C)C 45317198 573966128 /nfs/dbraw/zinc/96/61/28/573966128.db2.gz LXGZHHZZOLJPNF-NSHDSACASA-N 1 1 197.326 1.738 10 30 ADEEMO CCCCC[N@@H+](C[C@@H](N)C#N)C(C)C 45317198 573966135 /nfs/dbraw/zinc/96/61/35/573966135.db2.gz LXGZHHZZOLJPNF-NSHDSACASA-N 1 1 197.326 1.738 10 30 ADEEMO CC(C)(C)OCCC[C@@](C)([NH3+])C#N 45324428 573977056 /nfs/dbraw/zinc/97/70/56/573977056.db2.gz SCAFKCMVZBWAIG-SNVBAGLBSA-N 1 1 184.283 1.823 10 30 ADEEMO CCCN[C@H](C#N)Cn1cc[nH+]c1C 45321603 573976478 /nfs/dbraw/zinc/97/64/78/573976478.db2.gz OMXRTZNKRYICNW-SNVBAGLBSA-N 1 1 192.266 1.083 10 30 ADEEMO C#CCC[N@H+](CCC#N)C1CC1 42549234 573976539 /nfs/dbraw/zinc/97/65/39/573976539.db2.gz QWLNPNOOFPAALV-UHFFFAOYSA-N 1 1 162.236 1.388 10 30 ADEEMO C#CCC[N@@H+](CCC#N)C1CC1 42549234 573976544 /nfs/dbraw/zinc/97/65/44/573976544.db2.gz QWLNPNOOFPAALV-UHFFFAOYSA-N 1 1 162.236 1.388 10 30 ADEEMO Cc1cnn(CCC[C@](C)([NH3+])C#N)c1 45322182 573976643 /nfs/dbraw/zinc/97/66/43/573976643.db2.gz CSLPPSRINDVMRA-JTQLQIEISA-N 1 1 192.266 1.213 10 30 ADEEMO CC(C)C[N@@H+](C[C@H](N)C#N)C(C)C 45319329 573976974 /nfs/dbraw/zinc/97/69/74/573976974.db2.gz MRSZMGWXHRSCPL-SNVBAGLBSA-N 1 1 183.299 1.204 10 30 ADEEMO C[C@H]1CC[N@@H+](C)C[C@H](C#N)C1 259589597 573984540 /nfs/dbraw/zinc/98/45/40/573984540.db2.gz LDKMTGBMXUIQIU-IUCAKERBSA-N 1 1 152.241 1.488 10 30 ADEEMO C[C@@H]1CC[N@@H+](C)C[C@H](C#N)C1 259589593 573984839 /nfs/dbraw/zinc/98/48/39/573984839.db2.gz LDKMTGBMXUIQIU-BDAKNGLRSA-N 1 1 152.241 1.488 10 30 ADEEMO CC[C@H](C)[N@@H+](CCOC)C[C@@H](C)C#N 42582629 573985651 /nfs/dbraw/zinc/98/56/51/573985651.db2.gz YSTQCFOJUIYWLS-QWRGUYRKSA-N 1 1 198.310 1.893 10 30 ADEEMO CC[C@@H](C)[N@@H+](CCOC)C[C@@H](C)C#N 42582626 573984923 /nfs/dbraw/zinc/98/49/23/573984923.db2.gz YSTQCFOJUIYWLS-WDEREUQCSA-N 1 1 198.310 1.893 10 30 ADEEMO C[C@@H]1CC[N@@H+](C)C[C@@H](C#N)C1 259589602 573985169 /nfs/dbraw/zinc/98/51/69/573985169.db2.gz LDKMTGBMXUIQIU-RKDXNWHRSA-N 1 1 152.241 1.488 10 30 ADEEMO CC[C@H](C)[N@@H+](CCOC)C[C@@H]1CO1 42582195 573985334 /nfs/dbraw/zinc/98/53/34/573985334.db2.gz OSZOWQKEAZCIET-VHSXEESVSA-N 1 1 187.283 1.132 10 30 ADEEMO CC(C)C[C@H](C)[N@@H+](C)C[C@@H]1CO1 42582189 573985600 /nfs/dbraw/zinc/98/56/00/573985600.db2.gz HFKSZNIRNZTLCV-VHSXEESVSA-N 1 1 171.284 1.752 10 30 ADEEMO N#CC[C@@H]([NH3+])c1ccc(N)c(Cl)c1 104473829 573995498 /nfs/dbraw/zinc/99/54/98/573995498.db2.gz BJPQGBAENAQDPS-MRVPVSSYSA-N 1 1 195.653 1.836 10 30 ADEEMO N#CC[C@@H]([NH3+])c1ccc(N)cc1Cl 104473837 573995581 /nfs/dbraw/zinc/99/55/81/573995581.db2.gz VCXVPFSQSBJTKS-SECBINFHSA-N 1 1 195.653 1.836 10 30 ADEEMO Cc1cc([C@H]([NH3+])CC#N)cnc1Cl 104484641 574005617 /nfs/dbraw/zinc/00/56/17/574005617.db2.gz HMQYJSUKRPBPPE-MRVPVSSYSA-N 1 1 195.653 1.957 10 30 ADEEMO CC(=O)[C@@H]([NH3+])c1ccccc1CC#N 104488237 574005690 /nfs/dbraw/zinc/00/56/90/574005690.db2.gz SNFKVEHAKFCGIB-LLVKDONJSA-N 1 1 188.230 1.341 10 30 ADEEMO C[N@H+]1CCC=C(CCC=O)C1 258199922 574005899 /nfs/dbraw/zinc/00/58/99/574005899.db2.gz UOHPDYHTPDEYRZ-UHFFFAOYSA-N 1 1 153.225 1.227 10 30 ADEEMO COc1cc(C)c([C@@H]([NH3+])CC#N)cn1 104490282 574007624 /nfs/dbraw/zinc/00/76/24/574007624.db2.gz FZZLNDGPAIXHBB-VIFPVBQESA-N 1 1 191.234 1.312 10 30 ADEEMO Cc1cc(C)c(N)c([C@H]([NH3+])CC#N)c1 104494517 574007790 /nfs/dbraw/zinc/00/77/90/574007790.db2.gz ZTBIILNAUUSUFK-SNVBAGLBSA-N 1 1 189.262 1.799 10 30 ADEEMO COc1ccc([C@@H]([NH3+])CC#N)cc1N 104491924 574007861 /nfs/dbraw/zinc/00/78/61/574007861.db2.gz INWKLMRCWJWRNY-QMMMGPOBSA-N 1 1 191.234 1.191 10 30 ADEEMO N#CC[C@@H]([NH3+])c1ccc2c(c1)CCN2 104491511 574008666 /nfs/dbraw/zinc/00/86/66/574008666.db2.gz CCLCIKFKOBBLSC-SNVBAGLBSA-N 1 1 187.246 1.568 10 30 ADEEMO COc1ccc([C@H]([NH3+])CC#N)cc1N 104491920 574008633 /nfs/dbraw/zinc/00/86/33/574008633.db2.gz INWKLMRCWJWRNY-MRVPVSSYSA-N 1 1 191.234 1.191 10 30 ADEEMO N#CC[C@H]([NH3+])c1ccc2nccn2c1 104504324 574018449 /nfs/dbraw/zinc/01/84/49/574018449.db2.gz MKVOFTSCYHLFRY-VIFPVBQESA-N 1 1 186.218 1.248 10 30 ADEEMO N#CC[C@@H]([NH3+])c1ccc(N)cc1F 104509234 574018680 /nfs/dbraw/zinc/01/86/80/574018680.db2.gz XLRAJDJVLSMDET-SECBINFHSA-N 1 1 179.198 1.321 10 30 ADEEMO Cc1cc(F)ncc1[C@H]([NH3+])CC#N 104506603 574018777 /nfs/dbraw/zinc/01/87/77/574018777.db2.gz BJYGSVSHKYHXBH-MRVPVSSYSA-N 1 1 179.198 1.443 10 30 ADEEMO Cc1ccc([C@H]([NH3+])CC#N)cc1N 104508510 574018917 /nfs/dbraw/zinc/01/89/17/574018917.db2.gz VHWHTOKERWWRIR-SECBINFHSA-N 1 1 175.235 1.491 10 30 ADEEMO N#CC[C@@H]([NH3+])c1ccc2nccn2c1 104504321 574018970 /nfs/dbraw/zinc/01/89/70/574018970.db2.gz MKVOFTSCYHLFRY-SECBINFHSA-N 1 1 186.218 1.248 10 30 ADEEMO N#CC[C@@H]([NH3+])c1cnc2[nH]ccc2c1 104504315 574019011 /nfs/dbraw/zinc/01/90/11/574019011.db2.gz BOJLYCFLAXIPGA-SECBINFHSA-N 1 1 186.218 1.476 10 30 ADEEMO CNc1ccc([C@H]([NH3+])CC#N)cc1 104505904 574019023 /nfs/dbraw/zinc/01/90/23/574019023.db2.gz JZSYHMUKAYVZKD-SNVBAGLBSA-N 1 1 175.235 1.642 10 30 ADEEMO CCc1cc(O)ccc1[C@@H]([NH3+])CC#N 104504548 574020504 /nfs/dbraw/zinc/02/05/04/574020504.db2.gz WRSNICWJVADLAP-NSHDSACASA-N 1 1 190.246 1.868 10 30 ADEEMO COc1cc([C@H]([NH3+])CC#N)ccc1N 104507844 574020859 /nfs/dbraw/zinc/02/08/59/574020859.db2.gz FKLGUILWMANFJL-MRVPVSSYSA-N 1 1 191.234 1.191 10 30 ADEEMO C[C@H](CC#N)[NH+]1CCC(C)(O)CC1 87780988 574032820 /nfs/dbraw/zinc/03/28/20/574032820.db2.gz VNRRFRZOVZUQEO-SECBINFHSA-N 1 1 182.267 1.135 10 30 ADEEMO O=C[C@@H]1CC[N@H+]1C1CCCCC1 143731607 574033219 /nfs/dbraw/zinc/03/32/19/574033219.db2.gz GTBXBWWSSDMRJE-JTQLQIEISA-N 1 1 167.252 1.592 10 30 ADEEMO C[C@@H](CC#N)[NH+]1CCC(C)(O)CC1 87780986 574034135 /nfs/dbraw/zinc/03/41/35/574034135.db2.gz VNRRFRZOVZUQEO-VIFPVBQESA-N 1 1 182.267 1.135 10 30 ADEEMO C=CCC[N@H+](C)CC=C 112986123 574044941 /nfs/dbraw/zinc/04/49/41/574044941.db2.gz HGJUGBHESCQFST-UHFFFAOYSA-N 1 1 125.215 1.680 10 30 ADEEMO CC[N@@H+](C)Cc1cncc(C#N)c1 669379350 538444958 /nfs/dbraw/zinc/44/49/58/538444958.db2.gz YTZYSSYEMIPZAW-UHFFFAOYSA-N 1 1 175.235 1.405 10 30 ADEEMO C#CCC[N@@H+]1C[C@H](C)O[C@H](C)[C@@H]1C 306581204 629664112 /nfs/dbraw/zinc/66/41/12/629664112.db2.gz ZHQOAHZVZKOIGC-GARJFASQSA-N 1 1 181.279 1.507 10 30 ADEEMO C#CC[N@H+](CCCCO)C(C)(C)C 932462623 629681358 /nfs/dbraw/zinc/68/13/58/629681358.db2.gz BNRAMWATOHEDJU-UHFFFAOYSA-N 1 1 183.295 1.493 10 30 ADEEMO C#CC[N@H+](CC(C)=O)C(C)(C)C 932461917 629682225 /nfs/dbraw/zinc/68/22/25/629682225.db2.gz LBJKCQSNHKLOJN-UHFFFAOYSA-N 1 1 167.252 1.309 10 30 ADEEMO C=C(C)C[N@@H+]1CCOCC[C@@H]1C 306951980 629685691 /nfs/dbraw/zinc/68/56/91/629685691.db2.gz CPBSDCUELYGROA-JTQLQIEISA-N 1 1 169.268 1.673 10 30 ADEEMO C#CC[N@H+](C)[C@H](C)C1(C)CC1 306953401 629686035 /nfs/dbraw/zinc/68/60/35/629686035.db2.gz ICWMZJYWHKLBNE-SECBINFHSA-N 1 1 151.253 1.740 10 30 ADEEMO CC#CCC[N@H+]1CCOCC[C@H]1C 306278854 629691596 /nfs/dbraw/zinc/69/15/96/629691596.db2.gz QQXIXJGYAROSPH-LLVKDONJSA-N 1 1 181.279 1.511 10 30 ADEEMO C#CCC[N@@H+]1CC[C@@H](C)[C@H](F)C1 306393365 629692124 /nfs/dbraw/zinc/69/21/24/629692124.db2.gz DRDRHEMYRAECIH-NXEZZACHSA-N 1 1 169.243 1.690 10 30 ADEEMO C#CCC[N@@H+]1C[C@@H](C)N(C)C[C@@H]1C 306519622 629701957 /nfs/dbraw/zinc/70/19/57/629701957.db2.gz DDNHZHQZDHWHHI-MNOVXSKESA-N 1 1 180.295 1.034 10 30 ADEEMO C#CCCN1C[C@@H](C)[N@@H+](C)C[C@@H]1C 306519622 629701963 /nfs/dbraw/zinc/70/19/63/629701963.db2.gz DDNHZHQZDHWHHI-MNOVXSKESA-N 1 1 180.295 1.034 10 30 ADEEMO C#CCCN1C[C@@H](C)[N@H+](C)C[C@@H]1C 306519622 629701970 /nfs/dbraw/zinc/70/19/70/629701970.db2.gz DDNHZHQZDHWHHI-MNOVXSKESA-N 1 1 180.295 1.034 10 30 ADEEMO C#CCC[N@@H+]1C[C@H](C)N(C)C[C@H]1C 306519625 629703159 /nfs/dbraw/zinc/70/31/59/629703159.db2.gz DDNHZHQZDHWHHI-WDEREUQCSA-N 1 1 180.295 1.034 10 30 ADEEMO C#CCCN1C[C@H](C)[N@@H+](C)C[C@H]1C 306519625 629703172 /nfs/dbraw/zinc/70/31/72/629703172.db2.gz DDNHZHQZDHWHHI-WDEREUQCSA-N 1 1 180.295 1.034 10 30 ADEEMO C#CCCN1C[C@H](C)[N@H+](C)C[C@H]1C 306519625 629703188 /nfs/dbraw/zinc/70/31/88/629703188.db2.gz DDNHZHQZDHWHHI-WDEREUQCSA-N 1 1 180.295 1.034 10 30 ADEEMO C#CCC[N@@H+]1C[C@@H](C)N(C)C[C@H]1C 306519621 629703352 /nfs/dbraw/zinc/70/33/52/629703352.db2.gz DDNHZHQZDHWHHI-GHMZBOCLSA-N 1 1 180.295 1.034 10 30 ADEEMO C#CCCN1C[C@@H](C)[N@@H+](C)C[C@H]1C 306519621 629703366 /nfs/dbraw/zinc/70/33/66/629703366.db2.gz DDNHZHQZDHWHHI-GHMZBOCLSA-N 1 1 180.295 1.034 10 30 ADEEMO C#CCCN1C[C@@H](C)[N@H+](C)C[C@H]1C 306519621 629703377 /nfs/dbraw/zinc/70/33/77/629703377.db2.gz DDNHZHQZDHWHHI-GHMZBOCLSA-N 1 1 180.295 1.034 10 30 ADEEMO C#CCC[N@@H+]1C[C@H](C)N(C)C[C@@H]1C 306519623 629706002 /nfs/dbraw/zinc/70/60/02/629706002.db2.gz DDNHZHQZDHWHHI-QWRGUYRKSA-N 1 1 180.295 1.034 10 30 ADEEMO C#CCCN1C[C@H](C)[N@@H+](C)C[C@@H]1C 306519623 629706010 /nfs/dbraw/zinc/70/60/10/629706010.db2.gz DDNHZHQZDHWHHI-QWRGUYRKSA-N 1 1 180.295 1.034 10 30 ADEEMO C#CCCN1C[C@H](C)[N@H+](C)C[C@@H]1C 306519623 629706024 /nfs/dbraw/zinc/70/60/24/629706024.db2.gz DDNHZHQZDHWHHI-QWRGUYRKSA-N 1 1 180.295 1.034 10 30 ADEEMO C#CC[N@H+](C)C[C@H]1CCO[C@H](C)C1 307009308 629734279 /nfs/dbraw/zinc/73/42/79/629734279.db2.gz HWHAQLWXCRHAQO-MNOVXSKESA-N 1 1 181.279 1.367 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)CC1(C)CC1 307075160 629740199 /nfs/dbraw/zinc/74/01/99/629740199.db2.gz FAEOCWCUPKFZLA-SECBINFHSA-N 1 1 151.253 1.740 10 30 ADEEMO C#CCCC[N@@H+]1CCC[C@@H](O)[C@H]1C 307119617 629743638 /nfs/dbraw/zinc/74/36/38/629743638.db2.gz SEKBDWCQUZPXNB-GHMZBOCLSA-N 1 1 181.279 1.245 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)C[C@H]1CCCO1 307103722 629745481 /nfs/dbraw/zinc/74/54/81/629745481.db2.gz BQIDFLKYUBTRPT-NXEZZACHSA-N 1 1 167.252 1.119 10 30 ADEEMO C#CC[N@@H+]1C[C@H](C)CC(C)(C)C1 307510112 629775136 /nfs/dbraw/zinc/77/51/36/629775136.db2.gz CKHQHWJVANINIR-SNVBAGLBSA-N 1 1 165.280 1.988 10 30 ADEEMO C=CCC[N@H+]1CCCC(=O)[C@@H]1C 932849515 629791209 /nfs/dbraw/zinc/79/12/09/629791209.db2.gz SGWCISSMGFNYEX-VIFPVBQESA-N 1 1 167.252 1.616 10 30 ADEEMO C=CCC[N@@H+]1CCCC(=O)[C@@H]1C 932849515 629791201 /nfs/dbraw/zinc/79/12/01/629791201.db2.gz SGWCISSMGFNYEX-VIFPVBQESA-N 1 1 167.252 1.616 10 30 ADEEMO C=CCC[N@@H+]1CCCC(=O)[C@H]1C 932849514 629792639 /nfs/dbraw/zinc/79/26/39/629792639.db2.gz SGWCISSMGFNYEX-SECBINFHSA-N 1 1 167.252 1.616 10 30 ADEEMO C=CCC[N@H+]1CCCC(=O)[C@H]1C 932849514 629792644 /nfs/dbraw/zinc/79/26/44/629792644.db2.gz SGWCISSMGFNYEX-SECBINFHSA-N 1 1 167.252 1.616 10 30 ADEEMO C#CCCNc1[nH+]cnc2[nH]ccc12 307624031 629792941 /nfs/dbraw/zinc/79/29/41/629792941.db2.gz MSANEVHVBCOEJS-UHFFFAOYSA-N 1 1 186.218 1.393 10 30 ADEEMO C#CC[N@H+](CC)[C@H](C)C1CC1 307638424 629796298 /nfs/dbraw/zinc/79/62/98/629796298.db2.gz AIPQNWUENWOKPG-SECBINFHSA-N 1 1 151.253 1.740 10 30 ADEEMO CC#CCC[N@H+]1CC[C@@H](O)C1(C)C 307700690 629804901 /nfs/dbraw/zinc/80/49/01/629804901.db2.gz QQNRDJBQEVJPCC-SNVBAGLBSA-N 1 1 181.279 1.245 10 30 ADEEMO C#CC[N@H+](CC)CC1(F)CC1 307694892 629804914 /nfs/dbraw/zinc/80/49/14/629804914.db2.gz YFRLOEGAOQVVCP-UHFFFAOYSA-N 1 1 155.216 1.444 10 30 ADEEMO CC#CCO[NH+]=C(N)CCC 307696164 629805496 /nfs/dbraw/zinc/80/54/96/629805496.db2.gz CRNAQVIHHWHUIL-UHFFFAOYSA-N 1 1 154.213 1.099 10 30 ADEEMO C[C@H]1CCOCC[N@@H+]1CCC#N 307714781 629808535 /nfs/dbraw/zinc/80/85/35/629808535.db2.gz DVNADCRQPTXYNL-VIFPVBQESA-N 1 1 168.240 1.011 10 30 ADEEMO C[C@H]1CCOCC[N@H+]1CCC#N 307714781 629808539 /nfs/dbraw/zinc/80/85/39/629808539.db2.gz DVNADCRQPTXYNL-VIFPVBQESA-N 1 1 168.240 1.011 10 30 ADEEMO C=CCC[N@@H+]1CCOCC[C@H]1C 307746304 629811439 /nfs/dbraw/zinc/81/14/39/629811439.db2.gz VBHZVVFFCDCAIK-SNVBAGLBSA-N 1 1 169.268 1.673 10 30 ADEEMO C#CC[N@H+](C(C)C)[C@H]1CCOC1 307751775 629813043 /nfs/dbraw/zinc/81/30/43/629813043.db2.gz PFZQGVYFIZZJHP-JTQLQIEISA-N 1 1 167.252 1.119 10 30 ADEEMO C#CCCC[N@H+]1[C@@H](C)COC[C@H]1C 307743717 629813479 /nfs/dbraw/zinc/81/34/79/629813479.db2.gz MRGNLVGMOCQJKT-PHIMTYICSA-N 1 1 181.279 1.509 10 30 ADEEMO C#CCC[N@@H+]1CC[C@H](C)[C@H](F)C1 306393367 629826612 /nfs/dbraw/zinc/82/66/12/629826612.db2.gz DRDRHEMYRAECIH-VHSXEESVSA-N 1 1 169.243 1.690 10 30 ADEEMO C#CCC[N@@H+]1CC[C@H](C)[C@@H](F)C1 306393366 629827966 /nfs/dbraw/zinc/82/79/66/629827966.db2.gz DRDRHEMYRAECIH-UWVGGRQHSA-N 1 1 169.243 1.690 10 30 ADEEMO C#C[C@H](C)[NH2+]Cc1oc(C)nc1C 306398351 629828028 /nfs/dbraw/zinc/82/80/28/629828028.db2.gz YPESSNWRHVBAED-ZETCQYMHSA-N 1 1 178.235 1.403 10 30 ADEEMO C#CCC[N@@H+]1CC[C@@H](C)[C@@H](F)C1 306393368 629828209 /nfs/dbraw/zinc/82/82/09/629828209.db2.gz DRDRHEMYRAECIH-ZJUUUORDSA-N 1 1 169.243 1.690 10 30 ADEEMO C#CC[N@@H+]1C[C@H](C)O[C@@H](C)[C@H]1C 306373881 629828284 /nfs/dbraw/zinc/82/82/84/629828284.db2.gz KLVAOOGIWUWSPM-AEJSXWLSSA-N 1 1 167.252 1.117 10 30 ADEEMO C=CCC[N@@H+]1CCO[C@@H](C(F)F)C1 308186736 629844331 /nfs/dbraw/zinc/84/43/31/629844331.db2.gz JSJBVTWPJJOLLV-MRVPVSSYSA-N 1 1 191.221 1.528 10 30 ADEEMO C#C[C@H]1CCC[N@H+](CCOCC)C1 847017985 629833129 /nfs/dbraw/zinc/83/31/29/629833129.db2.gz GPTOKAGADOQGCU-NSHDSACASA-N 1 1 181.279 1.368 10 30 ADEEMO C#C[C@@H](C)[NH2+]Cc1conc1C 307397378 629833377 /nfs/dbraw/zinc/83/33/77/629833377.db2.gz VMFPSRCPTWAMTC-SSDOTTSWSA-N 1 1 164.208 1.094 10 30 ADEEMO C#C[C@@H]1CCC[N@H+](CCOCC)C1 847017984 629834206 /nfs/dbraw/zinc/83/42/06/629834206.db2.gz GPTOKAGADOQGCU-LLVKDONJSA-N 1 1 181.279 1.368 10 30 ADEEMO C#CCC[N@H+]1CC[C@@H]2CCC[C@@H]21 307303979 629834292 /nfs/dbraw/zinc/83/42/92/629834292.db2.gz WELOTKSZKOCQHN-QWRGUYRKSA-N 1 1 163.264 1.884 10 30 ADEEMO CC(C)CON=C1C[C@@H](C)[N@@H+](C)C1 308133072 629834917 /nfs/dbraw/zinc/83/49/17/629834917.db2.gz CHAVXQLOYLNYFU-SECBINFHSA-N 1 1 184.283 1.739 10 30 ADEEMO C=CC[N@@H+]1CCN(C)C[C@@H]1CC(C)C 933242866 629835286 /nfs/dbraw/zinc/83/52/86/629835286.db2.gz FQWZIZQDKHPXQD-LBPRGKRZSA-N 1 1 196.338 1.835 10 30 ADEEMO C=CCN1CC[N@@H+](C)C[C@@H]1CC(C)C 933242866 629835291 /nfs/dbraw/zinc/83/52/91/629835291.db2.gz FQWZIZQDKHPXQD-LBPRGKRZSA-N 1 1 196.338 1.835 10 30 ADEEMO C=CCN1CC[N@H+](C)C[C@@H]1CC(C)C 933242866 629835296 /nfs/dbraw/zinc/83/52/96/629835296.db2.gz FQWZIZQDKHPXQD-LBPRGKRZSA-N 1 1 196.338 1.835 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)CC1=CCCOC1 307589526 629835372 /nfs/dbraw/zinc/83/53/72/629835372.db2.gz FUSZGFIJJRWCKJ-SNVBAGLBSA-N 1 1 179.263 1.287 10 30 ADEEMO C#CCCC[N@H+](C)C(C)(C)C#C 308137876 629835859 /nfs/dbraw/zinc/83/58/59/629835859.db2.gz FIFVCOYMQOZRNH-UHFFFAOYSA-N 1 1 163.264 1.743 10 30 ADEEMO C=CC[N@@H+]1CCN(C)C[C@H]1CC(C)C 933242865 629835930 /nfs/dbraw/zinc/83/59/30/629835930.db2.gz FQWZIZQDKHPXQD-GFCCVEGCSA-N 1 1 196.338 1.835 10 30 ADEEMO C=CCN1CC[N@@H+](C)C[C@H]1CC(C)C 933242865 629835932 /nfs/dbraw/zinc/83/59/32/629835932.db2.gz FQWZIZQDKHPXQD-GFCCVEGCSA-N 1 1 196.338 1.835 10 30 ADEEMO C=CCN1CC[N@H+](C)C[C@H]1CC(C)C 933242865 629835935 /nfs/dbraw/zinc/83/59/35/629835935.db2.gz FQWZIZQDKHPXQD-GFCCVEGCSA-N 1 1 196.338 1.835 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)CCOC(C)(C)C 308130242 629836349 /nfs/dbraw/zinc/83/63/49/629836349.db2.gz AHDFJXSPRGXCPG-SNVBAGLBSA-N 1 1 183.295 1.755 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)CC[C@H]1CCOC1 308136671 629836457 /nfs/dbraw/zinc/83/64/57/629836457.db2.gz FUGFUQSEAQJJEZ-QWRGUYRKSA-N 1 1 181.279 1.367 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)CCOC(C)(C)C 308130241 629836723 /nfs/dbraw/zinc/83/67/23/629836723.db2.gz AHDFJXSPRGXCPG-JTQLQIEISA-N 1 1 183.295 1.755 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)CC[C@@H]1CCOC1 308136672 629836756 /nfs/dbraw/zinc/83/67/56/629836756.db2.gz FUGFUQSEAQJJEZ-WDEREUQCSA-N 1 1 181.279 1.367 10 30 ADEEMO CC#CC[N@H+]1CCOCC[C@@H]1C 307705819 629838635 /nfs/dbraw/zinc/83/86/35/629838635.db2.gz YZNZGCLMCVAMAZ-JTQLQIEISA-N 1 1 167.252 1.121 10 30 ADEEMO C=CC[N@@H+]1CCOCC[C@H]1C 307710671 629839390 /nfs/dbraw/zinc/83/93/90/629839390.db2.gz QNAURBOZBOFJIG-SECBINFHSA-N 1 1 155.241 1.283 10 30 ADEEMO C=C(C)C[N@@H+]1CCC[C@H](C#N)C1 70663290 629840480 /nfs/dbraw/zinc/84/04/80/629840480.db2.gz CVNVWVUQLFDICA-SNVBAGLBSA-N 1 1 164.252 1.798 10 30 ADEEMO C=C(C)C[N@H+]1CCC[C@H](C#N)C1 70663290 629840484 /nfs/dbraw/zinc/84/04/84/629840484.db2.gz CVNVWVUQLFDICA-SNVBAGLBSA-N 1 1 164.252 1.798 10 30 ADEEMO C#CCC1([NH2+]Cc2cnon2)CCC1 933293603 629844053 /nfs/dbraw/zinc/84/40/53/629844053.db2.gz ABXAPGBHTGMIAP-UHFFFAOYSA-N 1 1 191.234 1.105 10 30 ADEEMO C=CCC[N@H+]1CCO[C@@H](C(F)F)C1 308186736 629844336 /nfs/dbraw/zinc/84/43/36/629844336.db2.gz JSJBVTWPJJOLLV-MRVPVSSYSA-N 1 1 191.221 1.528 10 30 ADEEMO C#CC[N@H+](CC#CC)CC1CCC1 308220227 629847197 /nfs/dbraw/zinc/84/71/97/629847197.db2.gz CBCYUTDEJVTBHK-UHFFFAOYSA-N 1 1 175.275 1.745 10 30 ADEEMO C=CC[N@H+](CC(OC)OC)C(C)C 308251166 629850428 /nfs/dbraw/zinc/85/04/28/629850428.db2.gz FLNOXIYFFFXDKY-UHFFFAOYSA-N 1 1 187.283 1.502 10 30 ADEEMO C#CCC[N@@H+]1CC[C@H](OC(F)F)C1 308354689 629853562 /nfs/dbraw/zinc/85/35/62/629853562.db2.gz AHXOMXOPECFJSG-QMMMGPOBSA-N 1 1 189.205 1.323 10 30 ADEEMO C=C(C)CC[N@@H+]1CCOC[C@@H]1COC 933327889 629853934 /nfs/dbraw/zinc/85/39/34/629853934.db2.gz AWZQIMKOSGVKKG-NSHDSACASA-N 1 1 199.294 1.300 10 30 ADEEMO C=C(C)CC[N@@H+]1CCOC[C@H]1COC 933327888 629854242 /nfs/dbraw/zinc/85/42/42/629854242.db2.gz AWZQIMKOSGVKKG-LLVKDONJSA-N 1 1 199.294 1.300 10 30 ADEEMO C=CCCC[N@@H+]1CCOC[C@H]1COC 933333572 629855880 /nfs/dbraw/zinc/85/58/80/629855880.db2.gz CCBGJUYOXVZSDJ-LLVKDONJSA-N 1 1 199.294 1.300 10 30 ADEEMO C=CCCC[N@@H+]1CCOC[C@@H]1COC 933333574 629856697 /nfs/dbraw/zinc/85/66/97/629856697.db2.gz CCBGJUYOXVZSDJ-NSHDSACASA-N 1 1 199.294 1.300 10 30 ADEEMO C#CCON=C1CCC[N@H+](C)CC1 308395083 629861836 /nfs/dbraw/zinc/86/18/36/629861836.db2.gz CTYIXSDCASAWAN-UHFFFAOYSA-N 1 1 180.251 1.108 10 30 ADEEMO C#CCCCCCC[N@@H+]1CC[C@H]1CO 934014452 629872025 /nfs/dbraw/zinc/87/20/25/629872025.db2.gz JEJGKMHTSVSFPO-LBPRGKRZSA-N 1 1 195.306 1.637 10 30 ADEEMO C#CCCCCCC[N@@H+]1CC[C@@H]1CO 934014450 629873075 /nfs/dbraw/zinc/87/30/75/629873075.db2.gz JEJGKMHTSVSFPO-GFCCVEGCSA-N 1 1 195.306 1.637 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CC[C@H]1CO 934017100 629874500 /nfs/dbraw/zinc/87/45/00/629874500.db2.gz YOBRSWAXFWZBRB-BDAKNGLRSA-N 1 1 155.241 1.018 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CC[C@@H]1CO 934017103 629875421 /nfs/dbraw/zinc/87/54/21/629875421.db2.gz YOBRSWAXFWZBRB-RKDXNWHRSA-N 1 1 155.241 1.018 10 30 ADEEMO C=CC[C@@H]1CC[N@H+]1C[C@@H]1CCCO1 934471741 629886974 /nfs/dbraw/zinc/88/69/74/629886974.db2.gz LYXDZBGHKLFEJW-MNOVXSKESA-N 1 1 181.279 1.816 10 30 ADEEMO C#C[C@H]1CCCC[N@@H+]1CCC(=O)CC 934516416 629888044 /nfs/dbraw/zinc/88/80/44/629888044.db2.gz HFANSQUJYAVQKG-NSHDSACASA-N 1 1 193.290 1.843 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@@H]1CO 934017101 629876325 /nfs/dbraw/zinc/87/63/25/629876325.db2.gz YOBRSWAXFWZBRB-DTWKUNHWSA-N 1 1 155.241 1.018 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@H]1CO 934017102 629876949 /nfs/dbraw/zinc/87/69/49/629876949.db2.gz YOBRSWAXFWZBRB-IUCAKERBSA-N 1 1 155.241 1.018 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1Cc1[nH]ncc1C 934462979 629885586 /nfs/dbraw/zinc/88/55/86/629885586.db2.gz SLXJXLZEBGUNDW-SNVBAGLBSA-N 1 1 191.278 1.869 10 30 ADEEMO C=CC[C@@H]1CC[N@H+]1Cc1n[nH]cc1C 934462979 629885587 /nfs/dbraw/zinc/88/55/87/629885587.db2.gz SLXJXLZEBGUNDW-SNVBAGLBSA-N 1 1 191.278 1.869 10 30 ADEEMO C=CC[C@H]1CC[N@H+]1[C@H]1CCOC1 934465386 629883465 /nfs/dbraw/zinc/88/34/65/629883465.db2.gz UCFRGLHRMYDXKJ-UWVGGRQHSA-N 1 1 167.252 1.426 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1C[C@@H](COC)OC 934461780 629883564 /nfs/dbraw/zinc/88/35/64/629883564.db2.gz ZXKHXUYCUPGNMW-MNOVXSKESA-N 1 1 199.294 1.298 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1CCC(OC)OC 934459896 629883546 /nfs/dbraw/zinc/88/35/46/629883546.db2.gz MXURJFCEEUDTFE-JTQLQIEISA-N 1 1 199.294 1.646 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1CCOC 934460861 629883576 /nfs/dbraw/zinc/88/35/76/629883576.db2.gz KGXBZJQYXRYUIW-VIFPVBQESA-N 1 1 155.241 1.283 10 30 ADEEMO C=CC[C@H]1CC[N@H+]1CCCC#N 934461422 629883608 /nfs/dbraw/zinc/88/36/08/629883608.db2.gz XTNRLIAUSKLDFJ-JTQLQIEISA-N 1 1 164.252 1.941 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1[C@@H](CC)C(=O)OC 934464102 629883636 /nfs/dbraw/zinc/88/36/36/629883636.db2.gz MNCXKLLSKUMLNY-UWVGGRQHSA-N 1 1 197.278 1.588 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1CCSC 934462574 629883753 /nfs/dbraw/zinc/88/37/53/629883753.db2.gz XVWGUJYXFPAYSH-VIFPVBQESA-N 1 1 171.309 2.000 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1CCOC 934460859 629883814 /nfs/dbraw/zinc/88/38/14/629883814.db2.gz KGXBZJQYXRYUIW-SECBINFHSA-N 1 1 155.241 1.283 10 30 ADEEMO C=CC[C@H]1CC[N@H+]1Cc1cn[nH]c1 934460044 629883793 /nfs/dbraw/zinc/88/37/93/629883793.db2.gz GWYNWVGNWQACPC-JTQLQIEISA-N 1 1 177.251 1.560 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1Cc1[nH]ncc1C 934462978 629883850 /nfs/dbraw/zinc/88/38/50/629883850.db2.gz SLXJXLZEBGUNDW-JTQLQIEISA-N 1 1 191.278 1.869 10 30 ADEEMO C=CC[C@H]1CC[N@H+]1Cc1n[nH]cc1C 934462978 629883853 /nfs/dbraw/zinc/88/38/53/629883853.db2.gz SLXJXLZEBGUNDW-JTQLQIEISA-N 1 1 191.278 1.869 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1Cc1n[nH]cc1C 934462978 629883856 /nfs/dbraw/zinc/88/38/56/629883856.db2.gz SLXJXLZEBGUNDW-JTQLQIEISA-N 1 1 191.278 1.869 10 30 ADEEMO C=CC[C@@H]1CC[N@H+]1CC1OCCO1 934459861 629883898 /nfs/dbraw/zinc/88/38/98/629883898.db2.gz HONRSWCAGZMGFV-SECBINFHSA-N 1 1 183.251 1.010 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1CCC[C@@H](C)O 934459375 629883962 /nfs/dbraw/zinc/88/39/62/629883962.db2.gz JNGLXIIKVHVFGX-MNOVXSKESA-N 1 1 183.295 1.798 10 30 ADEEMO C=CC[C@@H]1CC[N@H+]1C[C@@H]1COCCO1 934459923 629883966 /nfs/dbraw/zinc/88/39/66/629883966.db2.gz NQDXUOIXIGQBIP-GHMZBOCLSA-N 1 1 197.278 1.052 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1Cc1cc[nH]n1 934464085 629884005 /nfs/dbraw/zinc/88/40/05/629884005.db2.gz MESIHGNTMFZDFO-JTQLQIEISA-N 1 1 177.251 1.560 10 30 ADEEMO C=CC[C@H]1CC[N@H+]1Cc1cc[nH]n1 934464085 629884008 /nfs/dbraw/zinc/88/40/08/629884008.db2.gz MESIHGNTMFZDFO-JTQLQIEISA-N 1 1 177.251 1.560 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1C[C@@H](O)C(C)C 934461391 629884026 /nfs/dbraw/zinc/88/40/26/629884026.db2.gz XMVPXNPSLBTUHA-GHMZBOCLSA-N 1 1 183.295 1.654 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1CCC(C)=O 934459693 629884059 /nfs/dbraw/zinc/88/40/59/629884059.db2.gz CQKQRXQVSNDZRV-JTQLQIEISA-N 1 1 167.252 1.616 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1C[C@H]1CCCN1C 934461396 629884070 /nfs/dbraw/zinc/88/40/70/629884070.db2.gz XNOXMAPPDQINHQ-NWDGAFQWSA-N 1 1 194.322 1.731 10 30 ADEEMO C=CC[C@H]1CCN1C[C@H]1CCC[N@H+]1C 934461396 629884072 /nfs/dbraw/zinc/88/40/72/629884072.db2.gz XNOXMAPPDQINHQ-NWDGAFQWSA-N 1 1 194.322 1.731 10 30 ADEEMO C=CC[C@H]1CCN1C[C@H]1CCC[N@@H+]1C 934461396 629884075 /nfs/dbraw/zinc/88/40/75/629884075.db2.gz XNOXMAPPDQINHQ-NWDGAFQWSA-N 1 1 194.322 1.731 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1CC1(O)CCCC1 934469122 629884084 /nfs/dbraw/zinc/88/40/84/629884084.db2.gz OTWFKQFOHGVTAO-LLVKDONJSA-N 1 1 195.306 1.942 10 30 ADEEMO C=CCOCC[N@H+]1CC[C@H]1CC=C 934461546 629884094 /nfs/dbraw/zinc/88/40/94/629884094.db2.gz YSSLCAYCDKMBFV-LLVKDONJSA-N 1 1 181.279 1.839 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1CCOCCOC 934462896 629884156 /nfs/dbraw/zinc/88/41/56/629884156.db2.gz VBQYJLMMANTOAO-LLVKDONJSA-N 1 1 199.294 1.300 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1CCCF 934464295 629884189 /nfs/dbraw/zinc/88/41/89/629884189.db2.gz DBCXBVDAKSHAKS-SECBINFHSA-N 1 1 157.232 1.996 10 30 ADEEMO C=CC[C@H]1CC[N@H+]1CC(=O)OCC 934465419 629884200 /nfs/dbraw/zinc/88/42/00/629884200.db2.gz UEULSWYCRSJGDC-VIFPVBQESA-N 1 1 183.251 1.200 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1CC(=O)OCC 934465419 629884204 /nfs/dbraw/zinc/88/42/04/629884204.db2.gz UEULSWYCRSJGDC-VIFPVBQESA-N 1 1 183.251 1.200 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1CCCNC(C)=O 934461118 629884224 /nfs/dbraw/zinc/88/42/24/629884224.db2.gz QFXRQFNHTAPNJS-LLVKDONJSA-N 1 1 196.294 1.163 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1CCCC(=O)OC 934459417 629884233 /nfs/dbraw/zinc/88/42/33/629884233.db2.gz CAJHJZLOWBBNSD-SNVBAGLBSA-N 1 1 197.278 1.590 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1CCSC 934462573 629884240 /nfs/dbraw/zinc/88/42/40/629884240.db2.gz XVWGUJYXFPAYSH-SECBINFHSA-N 1 1 171.309 2.000 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1Cc1ncccn1 934460291 629884279 /nfs/dbraw/zinc/88/42/79/629884279.db2.gz OYICDDARNGNINQ-JTQLQIEISA-N 1 1 189.262 1.627 10 30 ADEEMO C=CC[C@H]1CC[N@H+]1Cc1ncccn1 934460291 629884283 /nfs/dbraw/zinc/88/42/83/629884283.db2.gz OYICDDARNGNINQ-JTQLQIEISA-N 1 1 189.262 1.627 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1C[C@H](C)CO 934462106 629884317 /nfs/dbraw/zinc/88/43/17/629884317.db2.gz VHGFFXAGVSDRHR-UWVGGRQHSA-N 1 1 169.268 1.265 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1CCC(=O)N(C)C 934459381 629884341 /nfs/dbraw/zinc/88/43/41/629884341.db2.gz JQJFPFDMPLNTHI-SNVBAGLBSA-N 1 1 196.294 1.115 10 30 ADEEMO C=CC[C@@H]1CC[N@H+]1[C@@H]1CCOC1 934465385 629884423 /nfs/dbraw/zinc/88/44/23/629884423.db2.gz UCFRGLHRMYDXKJ-NXEZZACHSA-N 1 1 167.252 1.426 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1C[C@@H](C)CO 934462108 629884438 /nfs/dbraw/zinc/88/44/38/629884438.db2.gz VHGFFXAGVSDRHR-ZJUUUORDSA-N 1 1 169.268 1.265 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1CCC[C@H](C)O 934459376 629884543 /nfs/dbraw/zinc/88/45/43/629884543.db2.gz JNGLXIIKVHVFGX-QWRGUYRKSA-N 1 1 183.295 1.798 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1[C@H](CO)C(=C)C 934460312 629884635 /nfs/dbraw/zinc/88/46/35/629884635.db2.gz LERBYCAXBRTTKY-GHMZBOCLSA-N 1 1 181.279 1.574 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1Cc1ccnn1C 934462898 629884653 /nfs/dbraw/zinc/88/46/53/629884653.db2.gz RVDZWVMUVFJVDH-JTQLQIEISA-N 1 1 191.278 1.571 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1C[C@H](O)C(C)C 934461392 629884677 /nfs/dbraw/zinc/88/46/77/629884677.db2.gz XMVPXNPSLBTUHA-MNOVXSKESA-N 1 1 183.295 1.654 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1CCC(=O)OCC 934468860 629884688 /nfs/dbraw/zinc/88/46/88/629884688.db2.gz LEKDRGQFSKRMPQ-SNVBAGLBSA-N 1 1 197.278 1.590 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1C[C@H]1CCCN1C 934461398 629884705 /nfs/dbraw/zinc/88/47/05/629884705.db2.gz XNOXMAPPDQINHQ-VXGBXAGGSA-N 1 1 194.322 1.731 10 30 ADEEMO C=CC[C@@H]1CCN1C[C@H]1CCC[N@H+]1C 934461398 629884711 /nfs/dbraw/zinc/88/47/11/629884711.db2.gz XNOXMAPPDQINHQ-VXGBXAGGSA-N 1 1 194.322 1.731 10 30 ADEEMO C=CC[C@@H]1CCN1C[C@H]1CCC[N@@H+]1C 934461398 629884713 /nfs/dbraw/zinc/88/47/13/629884713.db2.gz XNOXMAPPDQINHQ-VXGBXAGGSA-N 1 1 194.322 1.731 10 30 ADEEMO C=CC[C@H]1CC[N@H+]1CCc1cn[nH]c1 934462350 629884744 /nfs/dbraw/zinc/88/47/44/629884744.db2.gz CLUFLSCXQXOBLW-NSHDSACASA-N 1 1 191.278 1.603 10 30 ADEEMO C=CCOCC[N@H+]1CC[C@@H]1CC=C 934461548 629884750 /nfs/dbraw/zinc/88/47/50/629884750.db2.gz YSSLCAYCDKMBFV-NSHDSACASA-N 1 1 181.279 1.839 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1CCC(C)(C)O 934459920 629884756 /nfs/dbraw/zinc/88/47/56/629884756.db2.gz NPXUOUNNTLLLCU-SNVBAGLBSA-N 1 1 183.295 1.798 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1CCCC(=O)NC 934466388 629884787 /nfs/dbraw/zinc/88/47/87/629884787.db2.gz ZXHNOZZISLFKEL-SNVBAGLBSA-N 1 1 196.294 1.163 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1CC[C@H](C)O 934461105 629884794 /nfs/dbraw/zinc/88/47/94/629884794.db2.gz VXGYBXRVRDXPIE-UWVGGRQHSA-N 1 1 169.268 1.408 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1CC#CC 934462320 629884848 /nfs/dbraw/zinc/88/48/48/629884848.db2.gz SQFAAEAFXYPYMR-JTQLQIEISA-N 1 1 149.237 1.660 10 30 ADEEMO C=CC[C@@H]1CC[N@H+]1CCOC1CC1 934460628 629884867 /nfs/dbraw/zinc/88/48/67/629884867.db2.gz IDCQTZUCFGPYSF-SNVBAGLBSA-N 1 1 181.279 1.816 10 30 ADEEMO C=CC[C@@H]1CC[N@H+]1C[C@H]1CCOC1 934461494 629884915 /nfs/dbraw/zinc/88/49/15/629884915.db2.gz MRXLGFCTLVELKL-GHMZBOCLSA-N 1 1 181.279 1.673 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1C[C@H](COC)OC 934461779 629884930 /nfs/dbraw/zinc/88/49/30/629884930.db2.gz ZXKHXUYCUPGNMW-GHMZBOCLSA-N 1 1 199.294 1.298 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1[C@@H](CC)C(=O)OC 934464106 629884955 /nfs/dbraw/zinc/88/49/55/629884955.db2.gz MNCXKLLSKUMLNY-ZJUUUORDSA-N 1 1 197.278 1.588 10 30 ADEEMO C=CC[C@@H]1CC[N@H+]1Cc1cnc[nH]1 934463185 629884972 /nfs/dbraw/zinc/88/49/72/629884972.db2.gz UQAYWUZCMUWNQW-SNVBAGLBSA-N 1 1 177.251 1.560 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1Cc1c[nH]cn1 934463185 629884984 /nfs/dbraw/zinc/88/49/84/629884984.db2.gz UQAYWUZCMUWNQW-SNVBAGLBSA-N 1 1 177.251 1.560 10 30 ADEEMO C=CC[C@@H]1CC[N@H+]1Cc1c[nH]cn1 934463185 629884986 /nfs/dbraw/zinc/88/49/86/629884986.db2.gz UQAYWUZCMUWNQW-SNVBAGLBSA-N 1 1 177.251 1.560 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1CCF 934463082 629885028 /nfs/dbraw/zinc/88/50/28/629885028.db2.gz WGCZVEIANOXIBO-QMMMGPOBSA-N 1 1 143.205 1.606 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1CCCF 934464296 629885039 /nfs/dbraw/zinc/88/50/39/629885039.db2.gz DBCXBVDAKSHAKS-VIFPVBQESA-N 1 1 157.232 1.996 10 30 ADEEMO C=CC[C@H]1CC[N@H+]1[C@@H]1CCOC1 934465388 629885058 /nfs/dbraw/zinc/88/50/58/629885058.db2.gz UCFRGLHRMYDXKJ-VHSXEESVSA-N 1 1 167.252 1.426 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1C[C@@H](C)CO 934462105 629885079 /nfs/dbraw/zinc/88/50/79/629885079.db2.gz VHGFFXAGVSDRHR-NXEZZACHSA-N 1 1 169.268 1.265 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1CCF 934463080 629885202 /nfs/dbraw/zinc/88/52/02/629885202.db2.gz WGCZVEIANOXIBO-MRVPVSSYSA-N 1 1 143.205 1.606 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1CCCNC(C)=O 934461119 629885261 /nfs/dbraw/zinc/88/52/61/629885261.db2.gz QFXRQFNHTAPNJS-NSHDSACASA-N 1 1 196.294 1.163 10 30 ADEEMO C=CC[C@H]1CC[N@H+]1Cc1nonc1C 934461671 629885615 /nfs/dbraw/zinc/88/56/15/629885615.db2.gz ZDPZXGLUAGJMRP-VIFPVBQESA-N 1 1 193.250 1.528 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1Cc1nonc1C 934461671 629885616 /nfs/dbraw/zinc/88/56/16/629885616.db2.gz ZDPZXGLUAGJMRP-VIFPVBQESA-N 1 1 193.250 1.528 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1[C@H](CC)C(=O)OC 934464104 629885325 /nfs/dbraw/zinc/88/53/25/629885325.db2.gz MNCXKLLSKUMLNY-VHSXEESVSA-N 1 1 197.278 1.588 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1Cc1ccon1 934463488 629885361 /nfs/dbraw/zinc/88/53/61/629885361.db2.gz IYONFDMTDOOUKQ-SNVBAGLBSA-N 1 1 178.235 1.825 10 30 ADEEMO C=CC[C@@H]1CC[N@H+]1Cc1ccon1 934463488 629885362 /nfs/dbraw/zinc/88/53/62/629885362.db2.gz IYONFDMTDOOUKQ-SNVBAGLBSA-N 1 1 178.235 1.825 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1C[C@H](C)CO 934462107 629885400 /nfs/dbraw/zinc/88/54/00/629885400.db2.gz VHGFFXAGVSDRHR-VHSXEESVSA-N 1 1 169.268 1.265 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1CC#CC 934462322 629885494 /nfs/dbraw/zinc/88/54/94/629885494.db2.gz SQFAAEAFXYPYMR-SNVBAGLBSA-N 1 1 149.237 1.660 10 30 ADEEMO C=CC[C@@H]1CC[N@H+]1C[C@H]1COCCO1 934459925 629885500 /nfs/dbraw/zinc/88/55/00/629885500.db2.gz NQDXUOIXIGQBIP-MNOVXSKESA-N 1 1 197.278 1.052 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1CC1(O)CCCC1 934469123 629885507 /nfs/dbraw/zinc/88/55/07/629885507.db2.gz OTWFKQFOHGVTAO-NSHDSACASA-N 1 1 195.306 1.942 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1[C@@H](CO)C(=C)C 934460317 629885547 /nfs/dbraw/zinc/88/55/47/629885547.db2.gz LERBYCAXBRTTKY-QWRGUYRKSA-N 1 1 181.279 1.574 10 30 ADEEMO C=CC[C@H]1CC[N@H+]1C[C@@H]1CCOC1 934461496 629885570 /nfs/dbraw/zinc/88/55/70/629885570.db2.gz MRXLGFCTLVELKL-QWRGUYRKSA-N 1 1 181.279 1.673 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1CCC(C)(C)O 934459917 629885573 /nfs/dbraw/zinc/88/55/73/629885573.db2.gz NPXUOUNNTLLLCU-JTQLQIEISA-N 1 1 183.295 1.798 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1Cc1n[nH]cc1C 934462979 629885589 /nfs/dbraw/zinc/88/55/89/629885589.db2.gz SLXJXLZEBGUNDW-SNVBAGLBSA-N 1 1 191.278 1.869 10 30 ADEEMO C=CC[C@H]1CC[N@H+]1CCOC1CC1 934460627 629885601 /nfs/dbraw/zinc/88/56/01/629885601.db2.gz IDCQTZUCFGPYSF-JTQLQIEISA-N 1 1 181.279 1.816 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1CCC[C@@H](C)O 934459374 629885621 /nfs/dbraw/zinc/88/56/21/629885621.db2.gz JNGLXIIKVHVFGX-GHMZBOCLSA-N 1 1 183.295 1.798 10 30 ADEEMO C=CC[C@H]1CC[N@H+]1C[C@H]1COCCO1 934459928 629885653 /nfs/dbraw/zinc/88/56/53/629885653.db2.gz NQDXUOIXIGQBIP-QWRGUYRKSA-N 1 1 197.278 1.052 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1CC[C@H](C)O 934461107 629885658 /nfs/dbraw/zinc/88/56/58/629885658.db2.gz VXGYBXRVRDXPIE-VHSXEESVSA-N 1 1 169.268 1.408 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1CC#CCOC 934461739 629885674 /nfs/dbraw/zinc/88/56/74/629885674.db2.gz UIPIDCSIQNRXOT-LLVKDONJSA-N 1 1 179.263 1.287 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1CCC(OC)OC 934459897 629885685 /nfs/dbraw/zinc/88/56/85/629885685.db2.gz MXURJFCEEUDTFE-SNVBAGLBSA-N 1 1 199.294 1.646 10 30 ADEEMO C=CC[C@@H]1CC[N@H+]1Cc1nonc1C 934461668 629885703 /nfs/dbraw/zinc/88/57/03/629885703.db2.gz ZDPZXGLUAGJMRP-SECBINFHSA-N 1 1 193.250 1.528 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1Cc1nonc1C 934461668 629885707 /nfs/dbraw/zinc/88/57/07/629885707.db2.gz ZDPZXGLUAGJMRP-SECBINFHSA-N 1 1 193.250 1.528 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1C[C@@H](COC)OC 934461781 629885731 /nfs/dbraw/zinc/88/57/31/629885731.db2.gz ZXKHXUYCUPGNMW-QWRGUYRKSA-N 1 1 199.294 1.298 10 30 ADEEMO C=CC[C@@H]1CC[N@H+]1Cc1cn[nH]c1 934460045 629885783 /nfs/dbraw/zinc/88/57/83/629885783.db2.gz GWYNWVGNWQACPC-SNVBAGLBSA-N 1 1 177.251 1.560 10 30 ADEEMO C=CC[C@H]1CC[N@H+]1C[C@@H]1COCCO1 934459931 629885747 /nfs/dbraw/zinc/88/57/47/629885747.db2.gz NQDXUOIXIGQBIP-WDEREUQCSA-N 1 1 197.278 1.052 10 30 ADEEMO C=CC[C@H]1CC[N@H+]1Cc1ccno1 934467842 629885758 /nfs/dbraw/zinc/88/57/58/629885758.db2.gz PXBNUDGDXINSBO-VIFPVBQESA-N 1 1 178.235 1.825 10 30 ADEEMO C=CC[C@@H]1CC[N@H+]1CCCC#N 934461423 629885769 /nfs/dbraw/zinc/88/57/69/629885769.db2.gz XTNRLIAUSKLDFJ-SNVBAGLBSA-N 1 1 164.252 1.941 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1CCCC(=O)OC 934459415 629885803 /nfs/dbraw/zinc/88/58/03/629885803.db2.gz CAJHJZLOWBBNSD-JTQLQIEISA-N 1 1 197.278 1.590 10 30 ADEEMO C=CC[C@H]1CC[N@H+]1Cc1c[nH]cn1 934463184 629885831 /nfs/dbraw/zinc/88/58/31/629885831.db2.gz UQAYWUZCMUWNQW-JTQLQIEISA-N 1 1 177.251 1.560 10 30 ADEEMO C=CC[C@H]1CC[N@H+]1Cc1cnc[nH]1 934463184 629885827 /nfs/dbraw/zinc/88/58/27/629885827.db2.gz UQAYWUZCMUWNQW-JTQLQIEISA-N 1 1 177.251 1.560 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1Cc1c[nH]cn1 934463184 629885830 /nfs/dbraw/zinc/88/58/30/629885830.db2.gz UQAYWUZCMUWNQW-JTQLQIEISA-N 1 1 177.251 1.560 10 30 ADEEMO C=CC[C@@H]1CC[N@H+]1[C@H]1CCOC1 934465389 629885879 /nfs/dbraw/zinc/88/58/79/629885879.db2.gz UCFRGLHRMYDXKJ-ZJUUUORDSA-N 1 1 167.252 1.426 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1CC[C@@H](C)O 934461103 629885956 /nfs/dbraw/zinc/88/59/56/629885956.db2.gz VXGYBXRVRDXPIE-NXEZZACHSA-N 1 1 169.268 1.408 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1CCCC(=O)NC 934466384 629885965 /nfs/dbraw/zinc/88/59/65/629885965.db2.gz ZXHNOZZISLFKEL-JTQLQIEISA-N 1 1 196.294 1.163 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1CC[C@@H](C)O 934461109 629885993 /nfs/dbraw/zinc/88/59/93/629885993.db2.gz VXGYBXRVRDXPIE-ZJUUUORDSA-N 1 1 169.268 1.408 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1CC#CCOC 934461740 629886018 /nfs/dbraw/zinc/88/60/18/629886018.db2.gz UIPIDCSIQNRXOT-NSHDSACASA-N 1 1 179.263 1.287 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1C[C@@H](O)C(C)C 934461394 629886048 /nfs/dbraw/zinc/88/60/48/629886048.db2.gz XMVPXNPSLBTUHA-WDEREUQCSA-N 1 1 183.295 1.654 10 30 ADEEMO C=CC[C@H]1CC[N@H+]1C[C@H]1CCOC1 934461495 629886057 /nfs/dbraw/zinc/88/60/57/629886057.db2.gz MRXLGFCTLVELKL-MNOVXSKESA-N 1 1 181.279 1.673 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1[C@@H](CO)C(=C)C 934460314 629886086 /nfs/dbraw/zinc/88/60/86/629886086.db2.gz LERBYCAXBRTTKY-MNOVXSKESA-N 1 1 181.279 1.574 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1Cc1ccnn1C 934462900 629886100 /nfs/dbraw/zinc/88/61/00/629886100.db2.gz RVDZWVMUVFJVDH-SNVBAGLBSA-N 1 1 191.278 1.571 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1CCC(=O)OCC 934468859 629886124 /nfs/dbraw/zinc/88/61/24/629886124.db2.gz LEKDRGQFSKRMPQ-JTQLQIEISA-N 1 1 197.278 1.590 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1CCC[C@H](C)O 934459377 629886192 /nfs/dbraw/zinc/88/61/92/629886192.db2.gz JNGLXIIKVHVFGX-WDEREUQCSA-N 1 1 183.295 1.798 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1CCOCCOC 934462899 629886226 /nfs/dbraw/zinc/88/62/26/629886226.db2.gz VBQYJLMMANTOAO-NSHDSACASA-N 1 1 199.294 1.300 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1[C@H](CO)C(=C)C 934460319 629886239 /nfs/dbraw/zinc/88/62/39/629886239.db2.gz LERBYCAXBRTTKY-WDEREUQCSA-N 1 1 181.279 1.574 10 30 ADEEMO C=CC[C@@H]1CC[N@H+]1C[C@@H]1CCOC1 934461498 629886262 /nfs/dbraw/zinc/88/62/62/629886262.db2.gz MRXLGFCTLVELKL-WDEREUQCSA-N 1 1 181.279 1.673 10 30 ADEEMO C=CC[C@H]1CC[N@H+]1CC1OCCO1 934459863 629886277 /nfs/dbraw/zinc/88/62/77/629886277.db2.gz HONRSWCAGZMGFV-VIFPVBQESA-N 1 1 183.251 1.010 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1C[C@H](O)C(C)C 934461393 629886343 /nfs/dbraw/zinc/88/63/43/629886343.db2.gz XMVPXNPSLBTUHA-QWRGUYRKSA-N 1 1 183.295 1.654 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1CCC(C)=O 934459696 629886351 /nfs/dbraw/zinc/88/63/51/629886351.db2.gz CQKQRXQVSNDZRV-SNVBAGLBSA-N 1 1 167.252 1.616 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1Cc1cc[nH]n1 934464087 629886402 /nfs/dbraw/zinc/88/64/02/629886402.db2.gz MESIHGNTMFZDFO-SNVBAGLBSA-N 1 1 177.251 1.560 10 30 ADEEMO C=CC[C@@H]1CC[N@H+]1Cc1cc[nH]n1 934464087 629886403 /nfs/dbraw/zinc/88/64/03/629886403.db2.gz MESIHGNTMFZDFO-SNVBAGLBSA-N 1 1 177.251 1.560 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1C[C@H](COC)OC 934461782 629886427 /nfs/dbraw/zinc/88/64/27/629886427.db2.gz ZXKHXUYCUPGNMW-WDEREUQCSA-N 1 1 199.294 1.298 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1Cc1ccon1 934463486 629886437 /nfs/dbraw/zinc/88/64/37/629886437.db2.gz IYONFDMTDOOUKQ-JTQLQIEISA-N 1 1 178.235 1.825 10 30 ADEEMO C=CC[C@H]1CC[N@H+]1Cc1ccon1 934463486 629886440 /nfs/dbraw/zinc/88/64/40/629886440.db2.gz IYONFDMTDOOUKQ-JTQLQIEISA-N 1 1 178.235 1.825 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1CCC(=O)N(C)C 934459380 629886469 /nfs/dbraw/zinc/88/64/69/629886469.db2.gz JQJFPFDMPLNTHI-JTQLQIEISA-N 1 1 196.294 1.115 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1Cc1ncccn1 934460294 629886508 /nfs/dbraw/zinc/88/65/08/629886508.db2.gz OYICDDARNGNINQ-SNVBAGLBSA-N 1 1 189.262 1.627 10 30 ADEEMO C=CC[C@@H]1CC[N@H+]1Cc1ncccn1 934460294 629886511 /nfs/dbraw/zinc/88/65/11/629886511.db2.gz OYICDDARNGNINQ-SNVBAGLBSA-N 1 1 189.262 1.627 10 30 ADEEMO C=CC[C@@H]1CC[N@H+]1CCc1cn[nH]c1 934462348 629886544 /nfs/dbraw/zinc/88/65/44/629886544.db2.gz CLUFLSCXQXOBLW-LLVKDONJSA-N 1 1 191.278 1.603 10 30 ADEEMO C=CC[C@@H]1CC[N@H+]1CC(=O)OCC 934465416 629886553 /nfs/dbraw/zinc/88/65/53/629886553.db2.gz UEULSWYCRSJGDC-SECBINFHSA-N 1 1 183.251 1.200 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1CC(=O)OCC 934465416 629886555 /nfs/dbraw/zinc/88/65/55/629886555.db2.gz UEULSWYCRSJGDC-SECBINFHSA-N 1 1 183.251 1.200 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1[C@H](CC)C(=O)OC 934464100 629886567 /nfs/dbraw/zinc/88/65/67/629886567.db2.gz MNCXKLLSKUMLNY-NXEZZACHSA-N 1 1 197.278 1.588 10 30 ADEEMO C=CC[C@@H]1CC[N@H+]1Cc1ccno1 934467841 629886583 /nfs/dbraw/zinc/88/65/83/629886583.db2.gz PXBNUDGDXINSBO-SECBINFHSA-N 1 1 178.235 1.825 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1CCC(=O)OC 934471735 629886775 /nfs/dbraw/zinc/88/67/75/629886775.db2.gz KELCDWFTLQKDOO-VIFPVBQESA-N 1 1 183.251 1.200 10 30 ADEEMO C=CC[C@H]1CC[N@H+]1C[C@@H]1CCCO1 934471742 629886802 /nfs/dbraw/zinc/88/68/02/629886802.db2.gz LYXDZBGHKLFEJW-QWRGUYRKSA-N 1 1 181.279 1.816 10 30 ADEEMO C=CC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)OCC 934469485 629886861 /nfs/dbraw/zinc/88/68/61/629886861.db2.gz UPAYJYBOWLTWGK-VHSXEESVSA-N 1 1 197.278 1.588 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)OCC 934469485 629886863 /nfs/dbraw/zinc/88/68/63/629886863.db2.gz UPAYJYBOWLTWGK-VHSXEESVSA-N 1 1 197.278 1.588 10 30 ADEEMO C=CC[C@@H]1CC[N@H+]1[C@H](C)C(=O)OCC 934469482 629886879 /nfs/dbraw/zinc/88/68/79/629886879.db2.gz UPAYJYBOWLTWGK-NXEZZACHSA-N 1 1 197.278 1.588 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)OCC 934469482 629886884 /nfs/dbraw/zinc/88/68/84/629886884.db2.gz UPAYJYBOWLTWGK-NXEZZACHSA-N 1 1 197.278 1.588 10 30 ADEEMO C=CC[C@@H]1CC[N@H+]1C[C@H]1CCCO1 934471738 629886922 /nfs/dbraw/zinc/88/69/22/629886922.db2.gz LYXDZBGHKLFEJW-GHMZBOCLSA-N 1 1 181.279 1.816 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1CCCCCO 934469264 629887051 /nfs/dbraw/zinc/88/70/51/629887051.db2.gz RTWAGVAHRMFTMY-NSHDSACASA-N 1 1 183.295 1.799 10 30 ADEEMO C=CC[C@H]1CC[N@H+]1[C@H](C)C(=O)OCC 934469486 629887067 /nfs/dbraw/zinc/88/70/67/629887067.db2.gz UPAYJYBOWLTWGK-ZJUUUORDSA-N 1 1 197.278 1.588 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1[C@H](C)C(=O)OCC 934469486 629887070 /nfs/dbraw/zinc/88/70/70/629887070.db2.gz UPAYJYBOWLTWGK-ZJUUUORDSA-N 1 1 197.278 1.588 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1[C@@H]1CCCC[C@H]1O 934470295 629887122 /nfs/dbraw/zinc/88/71/22/629887122.db2.gz AXNKRGPVAHVEIH-QJPTWQEYSA-N 1 1 195.306 1.940 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1CCC(=O)OC 934471733 629887162 /nfs/dbraw/zinc/88/71/62/629887162.db2.gz KELCDWFTLQKDOO-SECBINFHSA-N 1 1 183.251 1.200 10 30 ADEEMO C=CC[C@H]1CC[N@H+]1C[C@H]1CCCO1 934471744 629887172 /nfs/dbraw/zinc/88/71/72/629887172.db2.gz LYXDZBGHKLFEJW-WDEREUQCSA-N 1 1 181.279 1.816 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1CCCO 934469626 629887230 /nfs/dbraw/zinc/88/72/30/629887230.db2.gz WITNEFJSEKDDTO-VIFPVBQESA-N 1 1 155.241 1.019 10 30 ADEEMO C=CC[C@H]1CC[N@H+]1[C@@H](C)C(=O)OCC 934469484 629887258 /nfs/dbraw/zinc/88/72/58/629887258.db2.gz UPAYJYBOWLTWGK-UWVGGRQHSA-N 1 1 197.278 1.588 10 30 ADEEMO C=CC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)OCC 934469484 629887262 /nfs/dbraw/zinc/88/72/62/629887262.db2.gz UPAYJYBOWLTWGK-UWVGGRQHSA-N 1 1 197.278 1.588 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1CCCCCO 934469262 629887344 /nfs/dbraw/zinc/88/73/44/629887344.db2.gz RTWAGVAHRMFTMY-LLVKDONJSA-N 1 1 183.295 1.799 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1CCCO 934469625 629887351 /nfs/dbraw/zinc/88/73/51/629887351.db2.gz WITNEFJSEKDDTO-SECBINFHSA-N 1 1 155.241 1.019 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1[C@@H]1CCCC[C@H]1O 934470293 629887366 /nfs/dbraw/zinc/88/73/66/629887366.db2.gz AXNKRGPVAHVEIH-IJLUTSLNSA-N 1 1 195.306 1.940 10 30 ADEEMO C#C[C@H]1CCCC[N@@H+]1C[C@@H](O)C(C)C 934516516 629887852 /nfs/dbraw/zinc/88/78/52/629887852.db2.gz JMBDSFHHWBDZDR-NWDGAFQWSA-N 1 1 195.306 1.491 10 30 ADEEMO C#C[C@@H]1CCCC[N@@H+]1C[C@H](O)C(C)C 934516515 629888157 /nfs/dbraw/zinc/88/81/57/629888157.db2.gz JMBDSFHHWBDZDR-NEPJUHHUSA-N 1 1 195.306 1.491 10 30 ADEEMO C#C[C@@H]1CCCC[N@@H+]1C[C@@H](O)C(C)C 934516518 629888369 /nfs/dbraw/zinc/88/83/69/629888369.db2.gz JMBDSFHHWBDZDR-VXGBXAGGSA-N 1 1 195.306 1.491 10 30 ADEEMO C#C[C@@H]1CCCC[N@@H+]1CCC(=O)CC 934516415 629888383 /nfs/dbraw/zinc/88/83/83/629888383.db2.gz HFANSQUJYAVQKG-LLVKDONJSA-N 1 1 193.290 1.843 10 30 ADEEMO C#C[C@H]1CCCC[N@@H+]1C[C@H](O)C(C)C 934516517 629888787 /nfs/dbraw/zinc/88/87/87/629888787.db2.gz JMBDSFHHWBDZDR-RYUDHWBXSA-N 1 1 195.306 1.491 10 30 ADEEMO C#CCCC[N@H+]1CCC(=O)[C@@H](C)C1 229508909 629908045 /nfs/dbraw/zinc/90/80/45/629908045.db2.gz XQXVOOZBSQJWAA-JTQLQIEISA-N 1 1 179.263 1.311 10 30 ADEEMO C#C[C@H](C)[NH2+]Cc1cc(C)no1 229523960 629908872 /nfs/dbraw/zinc/90/88/72/629908872.db2.gz XEEVGEDCTGILPN-ZETCQYMHSA-N 1 1 164.208 1.094 10 30 ADEEMO N#C[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3C[C@H]3C2)C1 261110597 629927451 /nfs/dbraw/zinc/92/74/51/629927451.db2.gz GROZWVQXOINBHD-CHWFTXMASA-N 1 1 176.263 1.630 10 30 ADEEMO N#C[C@@H]1CC[C@H]([N@@H+]2C[C@H]3C[C@H]3C2)C1 261110612 629928923 /nfs/dbraw/zinc/92/89/23/629928923.db2.gz GROZWVQXOINBHD-ZNSHCXBVSA-N 1 1 176.263 1.630 10 30 ADEEMO C=C(Cl)C[N@@H+]1CC[C@H](CCO)C1 161627538 629941309 /nfs/dbraw/zinc/94/13/09/629941309.db2.gz QXUJYNWHLRZALY-SECBINFHSA-N 1 1 189.686 1.443 10 30 ADEEMO C=CCN(C)CCC[NH2+]C1CC1 162274945 629962756 /nfs/dbraw/zinc/96/27/56/629962756.db2.gz IJVAPUFSCVEZNB-UHFFFAOYSA-N 1 1 168.284 1.246 10 30 ADEEMO C#CC[N@H+](C)CCOCCCC 307948404 629969226 /nfs/dbraw/zinc/96/92/26/629969226.db2.gz ALXNUCLLNRQDGF-UHFFFAOYSA-N 1 1 169.268 1.368 10 30 ADEEMO CO[NH+]=Cc1ccc(N(C)C)s1 307948687 629970489 /nfs/dbraw/zinc/97/04/89/629970489.db2.gz ARQMQGINIFVJJD-UHFFFAOYSA-N 1 1 184.264 1.794 10 30 ADEEMO CON=C1C[N@H+](C2CC2)C[C@H]1C 307965731 629974418 /nfs/dbraw/zinc/97/44/18/629974418.db2.gz BUXBQPPRASPGTH-SSDOTTSWSA-N 1 1 168.240 1.103 10 30 ADEEMO C=C(Cl)C[N@@H+](CC)[C@@H]1CCOC1 308009689 629979976 /nfs/dbraw/zinc/97/99/76/629979976.db2.gz LIPFUAUBKRSOIF-SECBINFHSA-N 1 1 189.686 1.850 10 30 ADEEMO C=C(Cl)C[N@H+](CC)[C@@H]1CCOC1 308009689 629979983 /nfs/dbraw/zinc/97/99/83/629979983.db2.gz LIPFUAUBKRSOIF-SECBINFHSA-N 1 1 189.686 1.850 10 30 ADEEMO C=C(Cl)C[N@@H+](CC)[C@H]1CCOC1 308009693 629982035 /nfs/dbraw/zinc/98/20/35/629982035.db2.gz LIPFUAUBKRSOIF-VIFPVBQESA-N 1 1 189.686 1.850 10 30 ADEEMO C=C(Cl)C[N@H+](CC)[C@H]1CCOC1 308009693 629982110 /nfs/dbraw/zinc/98/21/10/629982110.db2.gz LIPFUAUBKRSOIF-VIFPVBQESA-N 1 1 189.686 1.850 10 30 ADEEMO C#CCCC[N@H+](CC)[C@H]1CCOC1 308208043 629997312 /nfs/dbraw/zinc/99/73/12/629997312.db2.gz UYEQXMDXRLOYIP-NSHDSACASA-N 1 1 181.279 1.511 10 30 ADEEMO C[N@@H+](CCC=O)Cc1ccccc1 62540336 522719525 /nfs/dbraw/zinc/71/95/25/522719525.db2.gz CYFYSBDUCXVGKF-UHFFFAOYSA-N 1 1 177.247 1.707 10 30 ADEEMO Cc1[nH+]cn(CCO[C@H](C)C#N)c1C 308511129 630015576 /nfs/dbraw/zinc/01/55/76/630015576.db2.gz CDTHXSLIUOXBJE-MRVPVSSYSA-N 1 1 193.250 1.429 10 30 ADEEMO CC[N@@H+](CCO[C@@H](C)C#N)CC(C)C 308530953 630017753 /nfs/dbraw/zinc/01/77/53/630017753.db2.gz CNEXQBOGOXUHBJ-NSHDSACASA-N 1 1 198.310 1.893 10 30 ADEEMO C#CCC[N@H+](C)[C@H](C)C1CC1 82493798 630040061 /nfs/dbraw/zinc/04/00/61/630040061.db2.gz HPPHREZMYORUIQ-SECBINFHSA-N 1 1 151.253 1.740 10 30 ADEEMO C#CCC[N@H+](C)[C@@H](C)C1CC1 82493796 630040570 /nfs/dbraw/zinc/04/05/70/630040570.db2.gz HPPHREZMYORUIQ-VIFPVBQESA-N 1 1 151.253 1.740 10 30 ADEEMO C#CCC[N@H+]1CCO[C@H]2CCCC[C@@H]21 82493975 630041003 /nfs/dbraw/zinc/04/10/03/630041003.db2.gz ISSOEVIBXCMSOA-RYUDHWBXSA-N 1 1 193.290 1.653 10 30 ADEEMO C#CCC[N@@H+]1CCCC1(C)C 82494059 630041123 /nfs/dbraw/zinc/04/11/23/630041123.db2.gz AHBCPNDIHQKWQO-UHFFFAOYSA-N 1 1 151.253 1.884 10 30 ADEEMO C#CCC[N@H+]1CCO[C@@H]2CCCC[C@@H]21 82493976 630041356 /nfs/dbraw/zinc/04/13/56/630041356.db2.gz ISSOEVIBXCMSOA-NWDGAFQWSA-N 1 1 193.290 1.653 10 30 ADEEMO C#CCC[N@@H+]1CCC[C@H](C(C)=O)C1 82644680 630044961 /nfs/dbraw/zinc/04/49/61/630044961.db2.gz IWCOPORCFJLANX-NSHDSACASA-N 1 1 179.263 1.311 10 30 ADEEMO C=CC[N@@H+]1CCC[C@@H](C(C)=O)C1 82644555 630044901 /nfs/dbraw/zinc/04/49/01/630044901.db2.gz COXKVQMPLDVMPG-SNVBAGLBSA-N 1 1 167.252 1.473 10 30 ADEEMO C#CCC[N@@H+]1CCC[C@@H](C(C)=O)C1 82644679 630045171 /nfs/dbraw/zinc/04/51/71/630045171.db2.gz IWCOPORCFJLANX-LLVKDONJSA-N 1 1 179.263 1.311 10 30 ADEEMO C=C(C)C[N@H+]1CCC[C@H](C(C)=O)C1 82644612 630045482 /nfs/dbraw/zinc/04/54/82/630045482.db2.gz RXNSJZVXPYICFY-NSHDSACASA-N 1 1 181.279 1.864 10 30 ADEEMO CC#CC[N@H+]1CCC[C@@H](C(C)=O)C1 82644605 630045549 /nfs/dbraw/zinc/04/55/49/630045549.db2.gz KXZSCMLMKJYGGM-LLVKDONJSA-N 1 1 179.263 1.311 10 30 ADEEMO C=C1CC[NH+](Cc2cncnc2)CC1 335747065 630045935 /nfs/dbraw/zinc/04/59/35/630045935.db2.gz UIXKCQXXUXMBOA-UHFFFAOYSA-N 1 1 189.262 1.629 10 30 ADEEMO C#CCCC[N@@H+]1CC[C@H](CCO)C1 163024979 630056353 /nfs/dbraw/zinc/05/63/53/630056353.db2.gz SQEXETGOAWRKFR-LLVKDONJSA-N 1 1 181.279 1.104 10 30 ADEEMO C#CCC[N@H+](C)Cc1c[nH]nc1C 879187651 630075385 /nfs/dbraw/zinc/07/53/85/630075385.db2.gz AAVRIGLZQCWDJV-UHFFFAOYSA-N 1 1 177.251 1.173 10 30 ADEEMO C#CC[N@H+]1C[C@H](C)OC(C)(C)C1 44477791 630079283 /nfs/dbraw/zinc/07/92/83/630079283.db2.gz FVYPMQXTDFTZED-VIFPVBQESA-N 1 1 167.252 1.119 10 30 ADEEMO C#CC[N@@H+]1C[C@H](C)OC(C)(C)C1 44477791 630079290 /nfs/dbraw/zinc/07/92/90/630079290.db2.gz FVYPMQXTDFTZED-VIFPVBQESA-N 1 1 167.252 1.119 10 30 ADEEMO C=CC[NH2+][C@@H]1CCN(C)C(C)(C)C1 84447650 630079555 /nfs/dbraw/zinc/07/95/55/630079555.db2.gz NTARPFOFCWEPQN-SNVBAGLBSA-N 1 1 182.311 1.635 10 30 ADEEMO CCO[NH+]=C(N)C1CCCCC1 306318066 630094598 /nfs/dbraw/zinc/09/45/98/630094598.db2.gz ICHNXLCNQNMSQI-UHFFFAOYSA-N 1 1 170.256 1.875 10 30 ADEEMO C#C[C@H](C)[N@H+](C)CCSC 306351193 630100476 /nfs/dbraw/zinc/10/04/76/630100476.db2.gz XHIZKGBYLUZTAQ-QMMMGPOBSA-N 1 1 157.282 1.303 10 30 ADEEMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3C[C@H]32)C1 307243444 630155524 /nfs/dbraw/zinc/15/55/24/630155524.db2.gz SUBBNKUPNVLDJU-VPOLOUISSA-N 1 1 176.263 1.773 10 30 ADEEMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3C[C@@H]32)C1 307243447 630156192 /nfs/dbraw/zinc/15/61/92/630156192.db2.gz SUBBNKUPNVLDJU-ZNSHCXBVSA-N 1 1 176.263 1.773 10 30 ADEEMO C#CCC[N@@H+]1CCC[C@](C)(C#N)C1 307441575 630169314 /nfs/dbraw/zinc/16/93/14/630169314.db2.gz ALNMOAOJUCXPOU-LLVKDONJSA-N 1 1 176.263 1.635 10 30 ADEEMO C[C@@H]1CCOCC[N@@H+]1CCC#N 307714780 630184323 /nfs/dbraw/zinc/18/43/23/630184323.db2.gz DVNADCRQPTXYNL-SECBINFHSA-N 1 1 168.240 1.011 10 30 ADEEMO C[C@@H]1CCOCC[N@H+]1CCC#N 307714780 630184327 /nfs/dbraw/zinc/18/43/27/630184327.db2.gz DVNADCRQPTXYNL-SECBINFHSA-N 1 1 168.240 1.011 10 30 ADEEMO CC#CC[N@H+]1CCOCC[C@H]1C 307705820 630184787 /nfs/dbraw/zinc/18/47/87/630184787.db2.gz YZNZGCLMCVAMAZ-SNVBAGLBSA-N 1 1 167.252 1.121 10 30 ADEEMO C#CC[N@H+]1CCC(C)=C(C)C1 307729261 630188244 /nfs/dbraw/zinc/18/82/44/630188244.db2.gz FRRAWVRYYXCCGH-UHFFFAOYSA-N 1 1 149.237 1.662 10 30 ADEEMO C#CC[N@@H+](CC1CC1)C1CC1 70650073 630194769 /nfs/dbraw/zinc/19/47/69/630194769.db2.gz HKDQUQHHQAAMCW-UHFFFAOYSA-N 1 1 149.237 1.494 10 30 ADEEMO C=C(Cl)C[N@@H+]1CC[C@@H](CO)C1 51887743 630194839 /nfs/dbraw/zinc/19/48/39/630194839.db2.gz HCNZWNZXUFXYMU-MRVPVSSYSA-N 1 1 175.659 1.053 10 30 ADEEMO C=C(Cl)C[N@@H+]1CC[C@H](CO)C1 51887742 630195662 /nfs/dbraw/zinc/19/56/62/630195662.db2.gz HCNZWNZXUFXYMU-QMMMGPOBSA-N 1 1 175.659 1.053 10 30 ADEEMO CON=C1C[N@H+](C2CC2)C[C@@H]1C 307965732 630199466 /nfs/dbraw/zinc/19/94/66/630199466.db2.gz BUXBQPPRASPGTH-ZETCQYMHSA-N 1 1 168.240 1.103 10 30 ADEEMO C#CCN1C[C@@H]2CCCC[N@@H+]2C[C@H]1C 252660625 630201142 /nfs/dbraw/zinc/20/11/42/630201142.db2.gz BHEOUSXRUMYFTK-NEPJUHHUSA-N 1 1 192.306 1.178 10 30 ADEEMO C#CCCN1C[C@@H]2CCC[N@@H+]2C[C@H]1C 252694171 630201272 /nfs/dbraw/zinc/20/12/72/630201272.db2.gz WWOUYJJXFFWXNK-NEPJUHHUSA-N 1 1 192.306 1.178 10 30 ADEEMO C#CC[N@@H+]1CCOc2ccccc2C1 58003145 630201305 /nfs/dbraw/zinc/20/13/05/630201305.db2.gz HIHXPSTTWFPSEL-UHFFFAOYSA-N 1 1 187.242 1.514 10 30 ADEEMO C#CC[N@H+]1CCOc2ccccc2C1 58003145 630201307 /nfs/dbraw/zinc/20/13/07/630201307.db2.gz HIHXPSTTWFPSEL-UHFFFAOYSA-N 1 1 187.242 1.514 10 30 ADEEMO C#CC[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 749562853 630203138 /nfs/dbraw/zinc/20/31/38/630203138.db2.gz RYJCLXNMNFZWPO-RYUDHWBXSA-N 1 1 193.290 1.368 10 30 ADEEMO C#CC[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 749562818 630203455 /nfs/dbraw/zinc/20/34/55/630203455.db2.gz RYJCLXNMNFZWPO-NEPJUHHUSA-N 1 1 193.290 1.368 10 30 ADEEMO C#CC[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 749562850 630204010 /nfs/dbraw/zinc/20/40/10/630204010.db2.gz RYJCLXNMNFZWPO-NWDGAFQWSA-N 1 1 193.290 1.368 10 30 ADEEMO C#CC[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 749562855 630205654 /nfs/dbraw/zinc/20/56/54/630205654.db2.gz RYJCLXNMNFZWPO-VXGBXAGGSA-N 1 1 193.290 1.368 10 30 ADEEMO C=CC[N@@H+](C)Cc1ccnc(C)n1 393719061 630211518 /nfs/dbraw/zinc/21/15/18/630211518.db2.gz JGYRZFUHHAONHI-UHFFFAOYSA-N 1 1 177.251 1.403 10 30 ADEEMO C=CC[N@H+](C)Cc1ccnc(C)n1 393719061 630211558 /nfs/dbraw/zinc/21/15/58/630211558.db2.gz JGYRZFUHHAONHI-UHFFFAOYSA-N 1 1 177.251 1.403 10 30 ADEEMO C#CC1([NH2+]Cc2ccon2)CCCC1 895677519 630224880 /nfs/dbraw/zinc/22/48/80/630224880.db2.gz NHNKLEGXKUWYIM-UHFFFAOYSA-N 1 1 190.246 1.710 10 30 ADEEMO C#CC[N@@H+]1CCSC[C@H](C)C1 306151104 630244600 /nfs/dbraw/zinc/24/46/00/630244600.db2.gz DBXUSFQCIHOIEM-SECBINFHSA-N 1 1 169.293 1.305 10 30 ADEEMO C=C(Cl)C[N@@H+]1C[C@H](O)CC[C@H]1C 306314976 630246280 /nfs/dbraw/zinc/24/62/80/630246280.db2.gz ZIFMOUYGDHBQPX-RKDXNWHRSA-N 1 1 189.686 1.584 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)Cc1ccn(C)c1 307715035 630248742 /nfs/dbraw/zinc/24/87/42/630248742.db2.gz FHDPDCRWIJUYNV-SNVBAGLBSA-N 1 1 176.263 1.479 10 30 ADEEMO C=C(Cl)C[NH2+]Cc1cn[nH]c1 307700658 630251087 /nfs/dbraw/zinc/25/10/87/630251087.db2.gz MEQCWRLWTDTYIL-UHFFFAOYSA-N 1 1 171.631 1.252 10 30 ADEEMO C#CCCC[N@H+]1CC[C@H]2C[C@H]21 307669113 630251421 /nfs/dbraw/zinc/25/14/21/630251421.db2.gz RTFBXIJDPALVFF-VHSXEESVSA-N 1 1 149.237 1.494 10 30 ADEEMO C#CC[N@@H+](C)CCC(C)(C)C 143891712 630254496 /nfs/dbraw/zinc/25/44/96/630254496.db2.gz BLTCZTHQFJUIIJ-UHFFFAOYSA-N 1 1 153.269 1.988 10 30 ADEEMO C#CC[N@H+](C)[C@@H]1C[C@](C)(OC)C1(C)C 752074609 630286539 /nfs/dbraw/zinc/28/65/39/630286539.db2.gz GBFWTLZEVQLHCI-PWSUYJOCSA-N 1 1 195.306 1.755 10 30 ADEEMO C#CC[N@H+](C)[C@@H]1C[C@@](C)(OC)C1(C)C 752074613 630286582 /nfs/dbraw/zinc/28/65/82/630286582.db2.gz GBFWTLZEVQLHCI-ZYHUDNBSSA-N 1 1 195.306 1.755 10 30 ADEEMO C#CC[N@H+](C)[C@H]1C[C@](C)(OC)C1(C)C 752074607 630286709 /nfs/dbraw/zinc/28/67/09/630286709.db2.gz GBFWTLZEVQLHCI-JQWIXIFHSA-N 1 1 195.306 1.755 10 30 ADEEMO C#CC[N@H+](C)[C@H]1C[C@@](C)(OC)C1(C)C 752074605 630286887 /nfs/dbraw/zinc/28/68/87/630286887.db2.gz GBFWTLZEVQLHCI-CMPLNLGQSA-N 1 1 195.306 1.755 10 30 ADEEMO C#CC[NH2+][C@@H](C)c1c(C)noc1C 86109770 630289323 /nfs/dbraw/zinc/28/93/23/630289323.db2.gz AHNNLFMOTDAWTN-ZETCQYMHSA-N 1 1 178.235 1.575 10 30 ADEEMO C#CC[N@H+]1CCC[C@@H](C(F)(F)F)C1 82237847 630396590 /nfs/dbraw/zinc/39/65/90/630396590.db2.gz MCVVRLUOFUJNAK-MRVPVSSYSA-N 1 1 191.196 1.894 10 30 ADEEMO C#CC[N@@H+]1CCC[C@@H](C(F)(F)F)C1 82237847 630396597 /nfs/dbraw/zinc/39/65/97/630396597.db2.gz MCVVRLUOFUJNAK-MRVPVSSYSA-N 1 1 191.196 1.894 10 30 ADEEMO C#CC[N@@H+]1CCC[C@@H]1C(C)C 82238179 630397518 /nfs/dbraw/zinc/39/75/18/630397518.db2.gz GNFHYWXLOBFKGY-SNVBAGLBSA-N 1 1 151.253 1.740 10 30 ADEEMO C#CC[N@H+]1CCC[C@H](C(F)(F)F)C1 82237846 630397973 /nfs/dbraw/zinc/39/79/73/630397973.db2.gz MCVVRLUOFUJNAK-QMMMGPOBSA-N 1 1 191.196 1.894 10 30 ADEEMO C#CC[N@@H+]1CCC[C@H](C(F)(F)F)C1 82237846 630397978 /nfs/dbraw/zinc/39/79/78/630397978.db2.gz MCVVRLUOFUJNAK-QMMMGPOBSA-N 1 1 191.196 1.894 10 30 ADEEMO C#CC[N@@H+]1CCC[C@H]1C(C)C 82238178 630398547 /nfs/dbraw/zinc/39/85/47/630398547.db2.gz GNFHYWXLOBFKGY-JTQLQIEISA-N 1 1 151.253 1.740 10 30 ADEEMO C#CCN1C[C@H]2CCCC[N@@H+]2C[C@H]1C 82725339 630454473 /nfs/dbraw/zinc/45/44/73/630454473.db2.gz BHEOUSXRUMYFTK-VXGBXAGGSA-N 1 1 192.306 1.178 10 30 ADEEMO C#CCN1C[C@H]2CCCC[N@@H+]2C[C@@H]1C 82725341 630454660 /nfs/dbraw/zinc/45/46/60/630454660.db2.gz BHEOUSXRUMYFTK-NWDGAFQWSA-N 1 1 192.306 1.178 10 30 ADEEMO C#CC[NH2+][C@H](C)c1c(C)noc1C 86109769 630456528 /nfs/dbraw/zinc/45/65/28/630456528.db2.gz AHNNLFMOTDAWTN-SSDOTTSWSA-N 1 1 178.235 1.575 10 30 ADEEMO C#CC[N@@H+](C)CCc1ccccn1 41636089 630506855 /nfs/dbraw/zinc/50/68/55/630506855.db2.gz HYGXEAWVTBKKQJ-UHFFFAOYSA-N 1 1 174.247 1.189 10 30 ADEEMO C#CCCC[N@@H+]1CC[C@@H](N(C)C)C1 163558219 630507693 /nfs/dbraw/zinc/50/76/93/630507693.db2.gz PQKAWXSFSANCCJ-LLVKDONJSA-N 1 1 180.295 1.036 10 30 ADEEMO C#CCCC[N@@H+]1CC[C@H](N(C)C)C1 163558340 630507879 /nfs/dbraw/zinc/50/78/79/630507879.db2.gz PQKAWXSFSANCCJ-NSHDSACASA-N 1 1 180.295 1.036 10 30 ADEEMO C=CC[C@@H](C)[N@@H+]1CCN[C@@H](C(C)C)C1 231846344 630748472 /nfs/dbraw/zinc/74/84/72/630748472.db2.gz QMBLKWWWCNHXRZ-VXGBXAGGSA-N 1 1 196.338 1.881 10 30 ADEEMO C=CC[C@@H](C)N1CC[NH2+][C@@H](C(C)C)C1 231846344 630748476 /nfs/dbraw/zinc/74/84/76/630748476.db2.gz QMBLKWWWCNHXRZ-VXGBXAGGSA-N 1 1 196.338 1.881 10 30 ADEEMO C#CCCC[N@@H+]1CC[C@@H](CCO)C1 163025089 630749160 /nfs/dbraw/zinc/74/91/60/630749160.db2.gz SQEXETGOAWRKFR-NSHDSACASA-N 1 1 181.279 1.104 10 30 ADEEMO C#CC[N@@H+](CC)Cc1[nH]c(C)nc1C 929785701 630761187 /nfs/dbraw/zinc/76/11/87/630761187.db2.gz CRASNDCPKALQDL-UHFFFAOYSA-N 1 1 191.278 1.482 10 30 ADEEMO C#CC[N@H+](CC)Cc1[nH]c(C)nc1C 929785701 630761192 /nfs/dbraw/zinc/76/11/92/630761192.db2.gz CRASNDCPKALQDL-UHFFFAOYSA-N 1 1 191.278 1.482 10 30 ADEEMO C#CCCC[N@H+](C)C[C@H]1CCCN1C 163562305 630763062 /nfs/dbraw/zinc/76/30/62/630763062.db2.gz GNHRKVFWEAYDHF-GFCCVEGCSA-N 1 1 194.322 1.426 10 30 ADEEMO C#CCCCN(C)C[C@H]1CCC[N@@H+]1C 163562305 630763068 /nfs/dbraw/zinc/76/30/68/630763068.db2.gz GNHRKVFWEAYDHF-GFCCVEGCSA-N 1 1 194.322 1.426 10 30 ADEEMO C#CCCCN(C)C[C@H]1CCC[N@H+]1C 163562305 630763072 /nfs/dbraw/zinc/76/30/72/630763072.db2.gz GNHRKVFWEAYDHF-GFCCVEGCSA-N 1 1 194.322 1.426 10 30 ADEEMO C#CCCC[N@H+](C)C[C@@H]1CCCN1C 163562425 630763225 /nfs/dbraw/zinc/76/32/25/630763225.db2.gz GNHRKVFWEAYDHF-LBPRGKRZSA-N 1 1 194.322 1.426 10 30 ADEEMO C#CCCCN(C)C[C@@H]1CCC[N@@H+]1C 163562425 630763231 /nfs/dbraw/zinc/76/32/31/630763231.db2.gz GNHRKVFWEAYDHF-LBPRGKRZSA-N 1 1 194.322 1.426 10 30 ADEEMO C#CCCCN(C)C[C@@H]1CCC[N@H+]1C 163562425 630763236 /nfs/dbraw/zinc/76/32/36/630763236.db2.gz GNHRKVFWEAYDHF-LBPRGKRZSA-N 1 1 194.322 1.426 10 30 ADEEMO C=CC[N@H+](CCCOC)C(C)C 917068770 630791133 /nfs/dbraw/zinc/79/11/33/630791133.db2.gz BEVCMQKYURQXGA-UHFFFAOYSA-N 1 1 171.284 1.919 10 30 ADEEMO C=CC[N@H+](CC(=O)N(C)CC)C(C)C 917167889 630792573 /nfs/dbraw/zinc/79/25/73/630792573.db2.gz GUDBEJHWLNLEBH-UHFFFAOYSA-N 1 1 198.310 1.361 10 30 ADEEMO C[N@H+]1CCC[C@H]1CSCCC#N 917847091 630799018 /nfs/dbraw/zinc/79/90/18/630799018.db2.gz DRFKKFTYTYCXEA-VIFPVBQESA-N 1 1 184.308 1.727 10 30 ADEEMO C[N@H+]1CCC[C@@H]1CSCCC#N 917847090 630800130 /nfs/dbraw/zinc/80/01/30/630800130.db2.gz DRFKKFTYTYCXEA-SECBINFHSA-N 1 1 184.308 1.727 10 30 ADEEMO C#CC[N@H+](C)Cc1cccc(O)c1 33640986 630806944 /nfs/dbraw/zinc/80/69/44/630806944.db2.gz ICEMMNRZJVGNEZ-UHFFFAOYSA-N 1 1 175.231 1.457 10 30 ADEEMO C#CC[N@H+](CC)CC1(O)CCCCC1 920096486 630815239 /nfs/dbraw/zinc/81/52/39/630815239.db2.gz XPNOIWAITSVITL-UHFFFAOYSA-N 1 1 195.306 1.637 10 30 ADEEMO C=CC[N@H+](CCn1cccn1)C(C)C 920086610 630815774 /nfs/dbraw/zinc/81/57/74/630815774.db2.gz DTKMHIMSUIBNBC-UHFFFAOYSA-N 1 1 193.294 1.780 10 30 ADEEMO CN(C)C=[NH+]c1sccc1C(N)=O 254799330 630830436 /nfs/dbraw/zinc/83/04/36/630830436.db2.gz GLFMMHZPLYCXFA-UHFFFAOYSA-N 1 1 197.263 1.068 10 30 ADEEMO C#CC[N@H+](C[C@@H](C)O)C(C)(C)C 238385878 630831817 /nfs/dbraw/zinc/83/18/17/630831817.db2.gz IKHAPFYAQBZHIG-SECBINFHSA-N 1 1 169.268 1.101 10 30 ADEEMO C=CC[C@H]([NH2+]CCC)C(=O)OC 238250530 630831930 /nfs/dbraw/zinc/83/19/30/630831930.db2.gz JRLAPAIYTNYPNA-QMMMGPOBSA-N 1 1 171.240 1.104 10 30 ADEEMO C#CCC[N@@H+]1CCOCC1(C)C 82493848 630841206 /nfs/dbraw/zinc/84/12/06/630841206.db2.gz GAQXEPJYUKNHMW-UHFFFAOYSA-N 1 1 167.252 1.121 10 30 ADEEMO C#CCC[N@H+]1CCCSCC1 82493838 630842043 /nfs/dbraw/zinc/84/20/43/630842043.db2.gz YONCKCYIZGCBPY-UHFFFAOYSA-N 1 1 169.293 1.449 10 30 ADEEMO C#CCC[N@@H+](C)CC1(N(C)C)CCC1 165200094 630842176 /nfs/dbraw/zinc/84/21/76/630842176.db2.gz BYNBMPPPNMIBRY-UHFFFAOYSA-N 1 1 194.322 1.426 10 30 ADEEMO C#CCC[N@H+](C)CC1(N(C)C)CCC1 165200094 630842181 /nfs/dbraw/zinc/84/21/81/630842181.db2.gz BYNBMPPPNMIBRY-UHFFFAOYSA-N 1 1 194.322 1.426 10 30 ADEEMO C=C(C)C[N@H+]1CCC[C@@H](C(C)=O)C1 82644614 630842814 /nfs/dbraw/zinc/84/28/14/630842814.db2.gz RXNSJZVXPYICFY-LLVKDONJSA-N 1 1 181.279 1.864 10 30 ADEEMO C#CCCn1cc[nH+]c1CC 82496774 630843496 /nfs/dbraw/zinc/84/34/96/630843496.db2.gz IERUPEDHSMRUGI-UHFFFAOYSA-N 1 1 148.209 1.469 10 30 ADEEMO C=C(C)CC[C@H]([NH3+])C(=O)OCC 169039836 630857588 /nfs/dbraw/zinc/85/75/88/630857588.db2.gz LDQJEUOPXJCQOY-QMMMGPOBSA-N 1 1 171.240 1.233 10 30 ADEEMO C=C(C)CC[C@@H]([NH3+])C(=O)OCC 169039741 630856800 /nfs/dbraw/zinc/85/68/00/630856800.db2.gz LDQJEUOPXJCQOY-MRVPVSSYSA-N 1 1 171.240 1.233 10 30 ADEEMO C=C(C)C[N@@H+]1C[C@@H](C(=O)OC)[C@@H](C)C1 227751537 630858473 /nfs/dbraw/zinc/85/84/73/630858473.db2.gz OPZFQARLXQRZQP-VHSXEESVSA-N 1 1 197.278 1.303 10 30 ADEEMO C=CCC[N@@H+]1C[C@@H](C(=O)OC)[C@@H](C)C1 227750208 630859319 /nfs/dbraw/zinc/85/93/19/630859319.db2.gz SRCCGQODNSPRNJ-VHSXEESVSA-N 1 1 197.278 1.303 10 30 ADEEMO C#C[C@@H](CC)[NH2+]Cc1cc(C)no1 229523909 630866674 /nfs/dbraw/zinc/86/66/74/630866674.db2.gz PQHBKZWYXGATJN-VIFPVBQESA-N 1 1 178.235 1.484 10 30 ADEEMO C#C[C@H](CC)[NH2+]Cc1cc(C)no1 229523917 630866848 /nfs/dbraw/zinc/86/68/48/630866848.db2.gz PQHBKZWYXGATJN-SECBINFHSA-N 1 1 178.235 1.484 10 30 ADEEMO CC[C@](C)(O)C[N@H+]1CCC[C@H](C#N)C1 229342975 630866932 /nfs/dbraw/zinc/86/69/32/630866932.db2.gz LOLRCAALHKNXKI-MNOVXSKESA-N 1 1 196.294 1.383 10 30 ADEEMO C#C[C@@H](C)[NH2+]Cc1cc(C)no1 229523940 630867764 /nfs/dbraw/zinc/86/77/64/630867764.db2.gz XEEVGEDCTGILPN-SSDOTTSWSA-N 1 1 164.208 1.094 10 30 ADEEMO CC[C@@](C)(O)C[N@H+]1CCC[C@H](C#N)C1 229342958 630868026 /nfs/dbraw/zinc/86/80/26/630868026.db2.gz LOLRCAALHKNXKI-GHMZBOCLSA-N 1 1 196.294 1.383 10 30 ADEEMO C#CC[N@H+]1C[C@H](C)C[C@H](C)[C@H]1C 229482605 630868358 /nfs/dbraw/zinc/86/83/58/630868358.db2.gz ZYCGRTJIRDEZAE-OUAUKWLOSA-N 1 1 165.280 1.986 10 30 ADEEMO C#CCCC[N@H+]1CCC(=O)[C@H](C)C1 229508896 630868587 /nfs/dbraw/zinc/86/85/87/630868587.db2.gz XQXVOOZBSQJWAA-SNVBAGLBSA-N 1 1 179.263 1.311 10 30 ADEEMO C#CC[N@H+](C)CC1CC(C)(C)C1 701665458 630885727 /nfs/dbraw/zinc/88/57/27/630885727.db2.gz BQUNVTDYOCONFF-UHFFFAOYSA-N 1 1 165.280 1.988 10 30 ADEEMO C#CCCC[N@@H+]1CC[C@H](OCC)C1 701671147 630885972 /nfs/dbraw/zinc/88/59/72/630885972.db2.gz DDKVTIILEYUOAH-NSHDSACASA-N 1 1 181.279 1.511 10 30 ADEEMO C#CCC[N@@H+]1CC[C@@H](OC(C)C)C1 701671605 630887215 /nfs/dbraw/zinc/88/72/15/630887215.db2.gz GMPGEFLAIVWHRX-LLVKDONJSA-N 1 1 181.279 1.509 10 30 ADEEMO C#CCC1([NH2+]Cc2cocn2)CCC1 922997914 630890808 /nfs/dbraw/zinc/89/08/08/630890808.db2.gz OCRSGMRVTZWFGL-UHFFFAOYSA-N 1 1 190.246 1.710 10 30 ADEEMO C#CCC1([NH2+]Cc2c[nH]cn2)CCC1 923000009 630890956 /nfs/dbraw/zinc/89/09/56/630890956.db2.gz XCBLESZJHQVIFR-UHFFFAOYSA-N 1 1 189.262 1.445 10 30 ADEEMO C#CCCN1CC[N@H+]2CCCC[C@@H]2C1 86929381 630892470 /nfs/dbraw/zinc/89/24/70/630892470.db2.gz FADOYJDTNMPBGC-GFCCVEGCSA-N 1 1 192.306 1.180 10 30 ADEEMO C#CCC[N@@H+]1CCN2CCCC[C@@H]2C1 86929381 630892472 /nfs/dbraw/zinc/89/24/72/630892472.db2.gz FADOYJDTNMPBGC-GFCCVEGCSA-N 1 1 192.306 1.180 10 30 ADEEMO C#CCC[N@H+]1CCN2CCCC[C@@H]2C1 86929381 630892473 /nfs/dbraw/zinc/89/24/73/630892473.db2.gz FADOYJDTNMPBGC-GFCCVEGCSA-N 1 1 192.306 1.180 10 30 ADEEMO C#CCCN1C[C@H]2CCC[N@@H+]2C[C@@H]1C 86931152 630892643 /nfs/dbraw/zinc/89/26/43/630892643.db2.gz WWOUYJJXFFWXNK-NWDGAFQWSA-N 1 1 192.306 1.178 10 30 ADEEMO C#CCCN1C[C@H]2CCC[N@@H+]2C[C@H]1C 86931151 630893469 /nfs/dbraw/zinc/89/34/69/630893469.db2.gz WWOUYJJXFFWXNK-VXGBXAGGSA-N 1 1 192.306 1.178 10 30 ADEEMO C#CCCC[N@@H+](CC(=O)OC)C1CC1 766904493 630911961 /nfs/dbraw/zinc/91/19/61/630911961.db2.gz GGWNQIFCBLUWAP-UHFFFAOYSA-N 1 1 195.262 1.037 10 30 ADEEMO C#CCCC[N@H+](CC(=O)OC)C1CC1 766904493 630911965 /nfs/dbraw/zinc/91/19/65/630911965.db2.gz GGWNQIFCBLUWAP-UHFFFAOYSA-N 1 1 195.262 1.037 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)Cc1cccc(C)n1 769960943 630914670 /nfs/dbraw/zinc/91/46/70/630914670.db2.gz GPIYIONNAVLLIN-LLVKDONJSA-N 1 1 188.274 1.844 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)Cc1cccc(C)n1 769960944 630914694 /nfs/dbraw/zinc/91/46/94/630914694.db2.gz GPIYIONNAVLLIN-NSHDSACASA-N 1 1 188.274 1.844 10 30 ADEEMO C#CC[NH+](CC#C)C[C@@H]1CC[C@H](C)O1 789326202 630919665 /nfs/dbraw/zinc/91/96/65/630919665.db2.gz FIECLRIZRWUOGJ-RYUDHWBXSA-N 1 1 191.274 1.122 10 30 ADEEMO C#CC[NH+](CC#C)C[C@@H]1CC[C@@H](C)O1 789326198 630919718 /nfs/dbraw/zinc/91/97/18/630919718.db2.gz FIECLRIZRWUOGJ-NEPJUHHUSA-N 1 1 191.274 1.122 10 30 ADEEMO C#CC[N@H+](CC)C[C@H]1CC[C@H](C)O1 789326425 630919932 /nfs/dbraw/zinc/91/99/32/630919932.db2.gz HHEWGVCCAZNPBI-WDEREUQCSA-N 1 1 181.279 1.509 10 30 ADEEMO C#CC[NH+](CC#C)C[C@H]1CC[C@@H](C)O1 789326203 630920608 /nfs/dbraw/zinc/92/06/08/630920608.db2.gz FIECLRIZRWUOGJ-VXGBXAGGSA-N 1 1 191.274 1.122 10 30 ADEEMO C#CCC[N@H+]1CC[C@]2(CCCOC2)C1 792938686 630923739 /nfs/dbraw/zinc/92/37/39/630923739.db2.gz CWIYKTNYAYOPSI-GFCCVEGCSA-N 1 1 193.290 1.512 10 30 ADEEMO C#CCC[N@H+]1CC[C@@]2(CCCOC2)C1 792938688 630924221 /nfs/dbraw/zinc/92/42/21/630924221.db2.gz CWIYKTNYAYOPSI-LBPRGKRZSA-N 1 1 193.290 1.512 10 30 ADEEMO C#CCC[N@@H+]1CCCCC[C@@H]1CCO 792924484 630924448 /nfs/dbraw/zinc/92/44/48/630924448.db2.gz ILGIJSGBYSHSHA-GFCCVEGCSA-N 1 1 195.306 1.637 10 30 ADEEMO C#CCC[N@@H+]1CCCCC[C@H]1CCO 792924485 630925530 /nfs/dbraw/zinc/92/55/30/630925530.db2.gz ILGIJSGBYSHSHA-LBPRGKRZSA-N 1 1 195.306 1.637 10 30 ADEEMO C#C[C@H](C)[N@H+](C)Cc1cc(C)ncn1 794535242 630927427 /nfs/dbraw/zinc/92/74/27/630927427.db2.gz SKBXWHWCZLPLHE-JTQLQIEISA-N 1 1 189.262 1.239 10 30 ADEEMO C#C[C@H](C)[N@@H+](C)Cc1cc(C)ncn1 794535242 630927436 /nfs/dbraw/zinc/92/74/36/630927436.db2.gz SKBXWHWCZLPLHE-JTQLQIEISA-N 1 1 189.262 1.239 10 30 ADEEMO C#CC[N@@H+](C)[C@H](C)c1cnc(C)cn1 794535684 630929005 /nfs/dbraw/zinc/92/90/05/630929005.db2.gz SUIZQIISPXTDAY-SNVBAGLBSA-N 1 1 189.262 1.411 10 30 ADEEMO C#CC[N@H+](C)[C@H](C)c1cnc(C)cn1 794535684 630929012 /nfs/dbraw/zinc/92/90/12/630929012.db2.gz SUIZQIISPXTDAY-SNVBAGLBSA-N 1 1 189.262 1.411 10 30 ADEEMO C#C[C@@H](C)[N@H+](C)Cc1cc(C)ncn1 794535250 630929042 /nfs/dbraw/zinc/92/90/42/630929042.db2.gz SKBXWHWCZLPLHE-SNVBAGLBSA-N 1 1 189.262 1.239 10 30 ADEEMO C#C[C@@H](C)[N@@H+](C)Cc1cc(C)ncn1 794535250 630929046 /nfs/dbraw/zinc/92/90/46/630929046.db2.gz SKBXWHWCZLPLHE-SNVBAGLBSA-N 1 1 189.262 1.239 10 30 ADEEMO C#CC[N@@H+](C)[C@@H](C)c1cnc(C)cn1 794535680 630929505 /nfs/dbraw/zinc/92/95/05/630929505.db2.gz SUIZQIISPXTDAY-JTQLQIEISA-N 1 1 189.262 1.411 10 30 ADEEMO C#CC[N@H+](C)[C@@H](C)c1cnc(C)cn1 794535680 630929508 /nfs/dbraw/zinc/92/95/08/630929508.db2.gz SUIZQIISPXTDAY-JTQLQIEISA-N 1 1 189.262 1.411 10 30 ADEEMO C#CCC[N@H+](CCOC)CC1(F)CC1 827826624 630943769 /nfs/dbraw/zinc/94/37/69/630943769.db2.gz JLTULCAKBCKYPF-UHFFFAOYSA-N 1 1 199.269 1.460 10 30 ADEEMO C#CCC[N@H+](CCOC)CC1(C)CC1 827826402 630943841 /nfs/dbraw/zinc/94/38/41/630943841.db2.gz FEVNCYBKULTUNO-UHFFFAOYSA-N 1 1 195.306 1.758 10 30 ADEEMO C=CCCC[N@H+](C)CC[S@](C)=O 827859744 630944044 /nfs/dbraw/zinc/94/40/44/630944044.db2.gz MJICGZWLVPMJLM-LBPRGKRZSA-N 1 1 189.324 1.263 10 30 ADEEMO C=CCCC[N@H+](C)CC[S@@](C)=O 827859743 630944059 /nfs/dbraw/zinc/94/40/59/630944059.db2.gz MJICGZWLVPMJLM-GFCCVEGCSA-N 1 1 189.324 1.263 10 30 ADEEMO C#CC[C@@H]1CCC[N@H+](C[C@@H](C)O)C1 829809749 630944410 /nfs/dbraw/zinc/94/44/10/630944410.db2.gz GKVZZDBDCKUEKR-GHMZBOCLSA-N 1 1 181.279 1.103 10 30 ADEEMO C#CC[C@H]1CCC[N@H+](C[C@H](C)CO)C1 829809889 630944422 /nfs/dbraw/zinc/94/44/22/630944422.db2.gz JPSQGZCUACCCDE-RYUDHWBXSA-N 1 1 195.306 1.350 10 30 ADEEMO C#CC[C@H]1CCC[N@H+](CC[C@@H](C)O)C1 829814944 630944517 /nfs/dbraw/zinc/94/45/17/630944517.db2.gz CUYJSYPKKDTFQJ-NEPJUHHUSA-N 1 1 195.306 1.493 10 30 ADEEMO C#CC[C@H]1CCC[N@H+](C[C@@H](C)O)C1 829809750 630944591 /nfs/dbraw/zinc/94/45/91/630944591.db2.gz GKVZZDBDCKUEKR-MNOVXSKESA-N 1 1 181.279 1.103 10 30 ADEEMO C#CC[C@@H]1CCC[N@H+](C[C@@H](C)OC)C1 829810509 630944602 /nfs/dbraw/zinc/94/46/02/630944602.db2.gz QNQOWXZCZGSQMO-VXGBXAGGSA-N 1 1 195.306 1.757 10 30 ADEEMO C#CC[C@@H]1CCC[N@H+](C[C@@H](C)CO)C1 829809890 630944650 /nfs/dbraw/zinc/94/46/50/630944650.db2.gz JPSQGZCUACCCDE-VXGBXAGGSA-N 1 1 195.306 1.350 10 30 ADEEMO C#CC[C@@H]1CCC[N@H+](CC[C@@H](C)O)C1 829814947 630945349 /nfs/dbraw/zinc/94/53/49/630945349.db2.gz CUYJSYPKKDTFQJ-VXGBXAGGSA-N 1 1 195.306 1.493 10 30 ADEEMO C#CC[C@@H]1CCC[N@H+](C[C@H](C)OC)C1 829810507 630945684 /nfs/dbraw/zinc/94/56/84/630945684.db2.gz QNQOWXZCZGSQMO-NWDGAFQWSA-N 1 1 195.306 1.757 10 30 ADEEMO C#CC[C@H]1CCC[N@H+](C[C@@H](C)CO)C1 829809887 630945794 /nfs/dbraw/zinc/94/57/94/630945794.db2.gz JPSQGZCUACCCDE-NEPJUHHUSA-N 1 1 195.306 1.350 10 30 ADEEMO C#CC[C@H]1CCC[N@H+](C[C@@H](C)OC)C1 829810505 630946055 /nfs/dbraw/zinc/94/60/55/630946055.db2.gz QNQOWXZCZGSQMO-NEPJUHHUSA-N 1 1 195.306 1.757 10 30 ADEEMO C#CC[C@H]1CCC[N@H+](C[C@H](C)OC)C1 829810508 630946075 /nfs/dbraw/zinc/94/60/75/630946075.db2.gz QNQOWXZCZGSQMO-RYUDHWBXSA-N 1 1 195.306 1.757 10 30 ADEEMO C#CC[C@H]1CCC[N@H+](C[C@H](C)O)C1 829809751 630946099 /nfs/dbraw/zinc/94/60/99/630946099.db2.gz GKVZZDBDCKUEKR-QWRGUYRKSA-N 1 1 181.279 1.103 10 30 ADEEMO C#CC[C@@H]1CCC[N@H+](C[C@H](C)CO)C1 829809888 630946237 /nfs/dbraw/zinc/94/62/37/630946237.db2.gz JPSQGZCUACCCDE-NWDGAFQWSA-N 1 1 195.306 1.350 10 30 ADEEMO C#CC[C@@H]1CCC[N@H+](CC[C@H](C)O)C1 829814945 630946332 /nfs/dbraw/zinc/94/63/32/630946332.db2.gz CUYJSYPKKDTFQJ-NWDGAFQWSA-N 1 1 195.306 1.493 10 30 ADEEMO C#CC[C@@H]1CCC[N@H+](C[C@H](C)O)C1 829809752 630946606 /nfs/dbraw/zinc/94/66/06/630946606.db2.gz GKVZZDBDCKUEKR-WDEREUQCSA-N 1 1 181.279 1.103 10 30 ADEEMO C#CC[C@H]1CCC[N@H+](CC[C@H](C)O)C1 829814946 630946733 /nfs/dbraw/zinc/94/67/33/630946733.db2.gz CUYJSYPKKDTFQJ-RYUDHWBXSA-N 1 1 195.306 1.493 10 30 ADEEMO CC#CC[N@@H+](C)CC[C@@H]1CCOC1 830051607 630947193 /nfs/dbraw/zinc/94/71/93/630947193.db2.gz CFVZPQARIUIYAE-LLVKDONJSA-N 1 1 181.279 1.368 10 30 ADEEMO CC#CC[N@@H+](C)CC[C@H]1CCOC1 830051608 630947461 /nfs/dbraw/zinc/94/74/61/630947461.db2.gz CFVZPQARIUIYAE-NSHDSACASA-N 1 1 181.279 1.368 10 30 ADEEMO C#C[C@H]1CCC[N@H+](CCC#CC)C1 847020998 630953572 /nfs/dbraw/zinc/95/35/72/630953572.db2.gz HESHHTLMCQRYFJ-LBPRGKRZSA-N 1 1 175.275 1.745 10 30 ADEEMO C#C[C@H]1CCC[N@H+](CCOC(C)C)C1 847021764 630953242 /nfs/dbraw/zinc/95/32/42/630953242.db2.gz OWGDHDNYIGSEFG-LBPRGKRZSA-N 1 1 195.306 1.757 10 30 ADEEMO C#C[C@@H]1CCC[N@@H+](CC2(C#N)CC2)C1 847020966 630953259 /nfs/dbraw/zinc/95/32/59/630953259.db2.gz GZANNXKRCJMKAR-LLVKDONJSA-N 1 1 188.274 1.635 10 30 ADEEMO C#C[C@H]1CCC[N@@H+](CCCC#N)C1 847020278 630953281 /nfs/dbraw/zinc/95/32/81/630953281.db2.gz XTHRELNDTCCJFX-NSHDSACASA-N 1 1 176.263 1.635 10 30 ADEEMO C#C[C@@H]1CCC[N@@H+](C[C@@H]2CCOC2)C1 847021947 630953295 /nfs/dbraw/zinc/95/32/95/630953295.db2.gz QVSVZMAWSLPYMT-NEPJUHHUSA-N 1 1 193.290 1.368 10 30 ADEEMO C#C[C@H]1CCC[N@H+](CCC[C@H](C)O)C1 847018240 630953321 /nfs/dbraw/zinc/95/33/21/630953321.db2.gz IBHSLJQNWWYNNS-RYUDHWBXSA-N 1 1 195.306 1.493 10 30 ADEEMO C#C[C@H]1CCC[N@H+](C[C@H](O)C2CC2)C1 847020483 630953336 /nfs/dbraw/zinc/95/33/36/630953336.db2.gz YMDKUXPJOOVXGC-JQWIXIFHSA-N 1 1 193.290 1.103 10 30 ADEEMO C#C[C@H]1CCC[N@H+](C[C@](C)(O)CC)C1 847018354 630953345 /nfs/dbraw/zinc/95/33/45/630953345.db2.gz JPYYFTZNQOVONC-NWDGAFQWSA-N 1 1 195.306 1.493 10 30 ADEEMO C#C[C@@H]1CCC[N@H+](C[C@@](C)(O)CC)C1 847018353 630953376 /nfs/dbraw/zinc/95/33/76/630953376.db2.gz JPYYFTZNQOVONC-NEPJUHHUSA-N 1 1 195.306 1.493 10 30 ADEEMO C#C[C@@H]1CCC[N@H+](C[C@H](O)CCC)C1 847019546 630953383 /nfs/dbraw/zinc/95/33/83/630953383.db2.gz RGYCRGKPQONDNH-VXGBXAGGSA-N 1 1 195.306 1.493 10 30 ADEEMO C#C[C@H]1CCC[N@H+](CC#CC)C1 847021509 630953396 /nfs/dbraw/zinc/95/33/96/630953396.db2.gz NLPSWUBMDLKTHA-NSHDSACASA-N 1 1 161.248 1.355 10 30 ADEEMO C#C[C@H]1CCC[N@H+](C[C@H](O)CC)C1 847018613 630953400 /nfs/dbraw/zinc/95/34/00/630953400.db2.gz LVLAEZVZHCBZCJ-WDEREUQCSA-N 1 1 181.279 1.103 10 30 ADEEMO C#C[C@H]1CCC[N@H+](CC(C)C)C1 847021677 630953404 /nfs/dbraw/zinc/95/34/04/630953404.db2.gz AKUQJQONFSLVHF-NSHDSACASA-N 1 1 165.280 1.988 10 30 ADEEMO C#C[C@@H]1CCC[N@H+](CCOC(C)C)C1 847021763 630953423 /nfs/dbraw/zinc/95/34/23/630953423.db2.gz OWGDHDNYIGSEFG-GFCCVEGCSA-N 1 1 195.306 1.757 10 30 ADEEMO C#C[C@@H]1CCC[N@H+](Cc2cc[nH]n2)C1 847018735 630953428 /nfs/dbraw/zinc/95/34/28/630953428.db2.gz MJMZAPYKWKZBHN-SNVBAGLBSA-N 1 1 189.262 1.255 10 30 ADEEMO C#C[C@@H]1CCC[N@@H+](Cc2cc[nH]n2)C1 847018735 630953429 /nfs/dbraw/zinc/95/34/29/630953429.db2.gz MJMZAPYKWKZBHN-SNVBAGLBSA-N 1 1 189.262 1.255 10 30 ADEEMO C#C[C@@H]1CCC[N@H+](CCC(=O)CC)C1 847020159 630953507 /nfs/dbraw/zinc/95/35/07/630953507.db2.gz WLXWXMSHMUTXPI-LLVKDONJSA-N 1 1 193.290 1.701 10 30 ADEEMO C#C[C@H]1CCC[N@H+](CCF)C1 847020871 630953531 /nfs/dbraw/zinc/95/35/31/630953531.db2.gz FGIRCFMJMIXGMG-VIFPVBQESA-N 1 1 155.216 1.301 10 30 ADEEMO C#C[C@@H]1CCC[N@H+](C[C@@H](O)CC)C1 847018610 630953584 /nfs/dbraw/zinc/95/35/84/630953584.db2.gz LVLAEZVZHCBZCJ-MNOVXSKESA-N 1 1 181.279 1.103 10 30 ADEEMO C#C[C@H]1CCC[N@H+](C[C@@H](O)CCC)C1 847019545 630953594 /nfs/dbraw/zinc/95/35/94/630953594.db2.gz RGYCRGKPQONDNH-RYUDHWBXSA-N 1 1 195.306 1.493 10 30 ADEEMO C#C[C@@H]1CCC[N@@H+](CCCC#N)C1 847020257 630953633 /nfs/dbraw/zinc/95/36/33/630953633.db2.gz XTHRELNDTCCJFX-LLVKDONJSA-N 1 1 176.263 1.635 10 30 ADEEMO C#C[C@H]1CCC[N@@H+](C[C@H]2CCOC2)C1 847021949 630953648 /nfs/dbraw/zinc/95/36/48/630953648.db2.gz QVSVZMAWSLPYMT-NWDGAFQWSA-N 1 1 193.290 1.368 10 30 ADEEMO C#C[C@@H]1CCC[N@H+](CCC[C@H](C)O)C1 847018239 630953667 /nfs/dbraw/zinc/95/36/67/630953667.db2.gz IBHSLJQNWWYNNS-NWDGAFQWSA-N 1 1 195.306 1.493 10 30 ADEEMO C#C[C@@H]1CCC[N@H+](CCCCO)C1 847021876 630953698 /nfs/dbraw/zinc/95/36/98/630953698.db2.gz CIMKEABRHBTQGB-LLVKDONJSA-N 1 1 181.279 1.104 10 30 ADEEMO C#C[C@@H]1CCC[N@H+](Cc2ccon2)C1 847018290 630953744 /nfs/dbraw/zinc/95/37/44/630953744.db2.gz IVNPKJJHMBCPTA-SNVBAGLBSA-N 1 1 190.246 1.520 10 30 ADEEMO C#C[C@@H]1CCC[N@@H+](Cc2ccon2)C1 847018290 630953749 /nfs/dbraw/zinc/95/37/49/630953749.db2.gz IVNPKJJHMBCPTA-SNVBAGLBSA-N 1 1 190.246 1.520 10 30 ADEEMO C#C[C@H]1CCC[N@H+](Cc2cc[nH]n2)C1 847018734 630953759 /nfs/dbraw/zinc/95/37/59/630953759.db2.gz MJMZAPYKWKZBHN-JTQLQIEISA-N 1 1 189.262 1.255 10 30 ADEEMO C#C[C@H]1CCC[N@@H+](Cc2cc[nH]n2)C1 847018734 630953765 /nfs/dbraw/zinc/95/37/65/630953765.db2.gz MJMZAPYKWKZBHN-JTQLQIEISA-N 1 1 189.262 1.255 10 30 ADEEMO C#C[C@@H]1CCC[N@@H+](C[C@H]2CCOC2)C1 847021952 630953809 /nfs/dbraw/zinc/95/38/09/630953809.db2.gz QVSVZMAWSLPYMT-VXGBXAGGSA-N 1 1 193.290 1.368 10 30 ADEEMO C#C[C@@H]1CCC[N@H+](CC#CC)C1 847021508 630953818 /nfs/dbraw/zinc/95/38/18/630953818.db2.gz NLPSWUBMDLKTHA-LLVKDONJSA-N 1 1 161.248 1.355 10 30 ADEEMO C#C[C@@H]1CCC[N@H+](CC(C)C)C1 847021676 630953858 /nfs/dbraw/zinc/95/38/58/630953858.db2.gz AKUQJQONFSLVHF-LLVKDONJSA-N 1 1 165.280 1.988 10 30 ADEEMO C#C[C@H]1CCC[N@H+](Cc2ccon2)C1 847018289 630953874 /nfs/dbraw/zinc/95/38/74/630953874.db2.gz IVNPKJJHMBCPTA-JTQLQIEISA-N 1 1 190.246 1.520 10 30 ADEEMO C#C[C@H]1CCC[N@@H+](Cc2ccon2)C1 847018289 630953879 /nfs/dbraw/zinc/95/38/79/630953879.db2.gz IVNPKJJHMBCPTA-JTQLQIEISA-N 1 1 190.246 1.520 10 30 ADEEMO C#C[C@@H]1CCC[N@H+](CCCCOC)C1 847020121 630953897 /nfs/dbraw/zinc/95/38/97/630953897.db2.gz VYLULKRIEOVWHJ-GFCCVEGCSA-N 1 1 195.306 1.758 10 30 ADEEMO C#C[C@@H]1CCC[N@H+](C[C@H](O)C2CC2)C1 847020485 630953931 /nfs/dbraw/zinc/95/39/31/630953931.db2.gz YMDKUXPJOOVXGC-PWSUYJOCSA-N 1 1 193.290 1.103 10 30 ADEEMO C#C[C@H]1CCC[N@H+](C[C@@](C)(O)CC)C1 847018355 630953987 /nfs/dbraw/zinc/95/39/87/630953987.db2.gz JPYYFTZNQOVONC-RYUDHWBXSA-N 1 1 195.306 1.493 10 30 ADEEMO C#C[C@H]1CCC[N@@H+](CC2(C#N)CC2)C1 847020967 630954010 /nfs/dbraw/zinc/95/40/10/630954010.db2.gz GZANNXKRCJMKAR-NSHDSACASA-N 1 1 188.274 1.635 10 30 ADEEMO C#C[C@H]1CCC[N@H+](CC(C)(C)O)C1 847021615 630954024 /nfs/dbraw/zinc/95/40/24/630954024.db2.gz NZIWDXRNGGNYJD-JTQLQIEISA-N 1 1 181.279 1.103 10 30 ADEEMO C#C[C@@H]1CCC[N@H+](CCC[C@@H](C)O)C1 847018241 630954055 /nfs/dbraw/zinc/95/40/55/630954055.db2.gz IBHSLJQNWWYNNS-VXGBXAGGSA-N 1 1 195.306 1.493 10 30 ADEEMO C#C[C@@H]1CCC[N@H+](CCF)C1 847020864 630954064 /nfs/dbraw/zinc/95/40/64/630954064.db2.gz FGIRCFMJMIXGMG-SECBINFHSA-N 1 1 155.216 1.301 10 30 ADEEMO C#C[C@H]1CCC[N@H+](CCSC)C1 847021581 630954077 /nfs/dbraw/zinc/95/40/77/630954077.db2.gz NVJJKQKPVJEJPO-JTQLQIEISA-N 1 1 183.320 1.695 10 30 ADEEMO C#C[C@H]1CCC[N@H+](CCC[C@@H](C)O)C1 847018238 630954087 /nfs/dbraw/zinc/95/40/87/630954087.db2.gz IBHSLJQNWWYNNS-NEPJUHHUSA-N 1 1 195.306 1.493 10 30 ADEEMO C#C[C@@H]1CCC[N@H+](C[C@H](O)CC)C1 847018608 630954099 /nfs/dbraw/zinc/95/40/99/630954099.db2.gz LVLAEZVZHCBZCJ-GHMZBOCLSA-N 1 1 181.279 1.103 10 30 ADEEMO C#C[C@H]1CCC[N@H+](CCCCO)C1 847021877 630954116 /nfs/dbraw/zinc/95/41/16/630954116.db2.gz CIMKEABRHBTQGB-NSHDSACASA-N 1 1 181.279 1.104 10 30 ADEEMO C#C[C@@H]1CCC[N@H+](CCC#CC)C1 847020994 630954132 /nfs/dbraw/zinc/95/41/32/630954132.db2.gz HESHHTLMCQRYFJ-GFCCVEGCSA-N 1 1 175.275 1.745 10 30 ADEEMO C#C[C@H]1CCC[N@H+](C[C@H](O)CCC)C1 847019544 630954152 /nfs/dbraw/zinc/95/41/52/630954152.db2.gz RGYCRGKPQONDNH-NWDGAFQWSA-N 1 1 195.306 1.493 10 30 ADEEMO C#C[C@@H]1CCC[N@H+](CCSC)C1 847021592 630954162 /nfs/dbraw/zinc/95/41/62/630954162.db2.gz NVJJKQKPVJEJPO-SNVBAGLBSA-N 1 1 183.320 1.695 10 30 ADEEMO C#C[C@H]1CCC[N@@H+](C[C@@H]2CCOC2)C1 847021951 630954171 /nfs/dbraw/zinc/95/41/71/630954171.db2.gz QVSVZMAWSLPYMT-RYUDHWBXSA-N 1 1 193.290 1.368 10 30 ADEEMO C#C[C@H]1CCC[N@H+](C[C@@H](O)CC)C1 847018611 630954182 /nfs/dbraw/zinc/95/41/82/630954182.db2.gz LVLAEZVZHCBZCJ-QWRGUYRKSA-N 1 1 181.279 1.103 10 30 ADEEMO C#C[C@@H]1CCC[N@H+](C[C@@H](O)C2CC2)C1 847020486 630954206 /nfs/dbraw/zinc/95/42/06/630954206.db2.gz YMDKUXPJOOVXGC-ZYHUDNBSSA-N 1 1 193.290 1.103 10 30 ADEEMO C#C[C@H]1CCC[N@H+](CCCCOC)C1 847020122 630954212 /nfs/dbraw/zinc/95/42/12/630954212.db2.gz VYLULKRIEOVWHJ-LBPRGKRZSA-N 1 1 195.306 1.758 10 30 ADEEMO C#C[C@H]1CCC[N@H+](C[C@@H](O)C2CC2)C1 847020481 630954284 /nfs/dbraw/zinc/95/42/84/630954284.db2.gz YMDKUXPJOOVXGC-CMPLNLGQSA-N 1 1 193.290 1.103 10 30 ADEEMO C#C[C@@H]1CCC[N@H+](C[C@](C)(O)CC)C1 847018356 630954295 /nfs/dbraw/zinc/95/42/95/630954295.db2.gz JPYYFTZNQOVONC-VXGBXAGGSA-N 1 1 195.306 1.493 10 30 ADEEMO C#C[C@@H]1CCC[N@H+](C[C@@H](O)CCC)C1 847019543 630954304 /nfs/dbraw/zinc/95/43/04/630954304.db2.gz RGYCRGKPQONDNH-NEPJUHHUSA-N 1 1 195.306 1.493 10 30 ADEEMO C#C[C@H]1CCC[N@H+](CCC(=O)CC)C1 847020160 630954338 /nfs/dbraw/zinc/95/43/38/630954338.db2.gz WLXWXMSHMUTXPI-NSHDSACASA-N 1 1 193.290 1.701 10 30 ADEEMO C#C[C@@H]1CCC[N@H+](CC(C)(C)O)C1 847021616 630954390 /nfs/dbraw/zinc/95/43/90/630954390.db2.gz NZIWDXRNGGNYJD-SNVBAGLBSA-N 1 1 181.279 1.103 10 30 ADEEMO C#CCOCC[N@H+]1[C@@H](C)CCC1(C)C 852147488 630982534 /nfs/dbraw/zinc/98/25/34/630982534.db2.gz CUWFFLCTPGNTCD-NSHDSACASA-N 1 1 195.306 1.899 10 30 ADEEMO C#CCOCC[N@H+]1CCC12CCCC2 852208028 630981173 /nfs/dbraw/zinc/98/11/73/630981173.db2.gz BGDYRUPHGOREKZ-UHFFFAOYSA-N 1 1 193.290 1.655 10 30 ADEEMO C#C[C@H]1COCC[N@H+]1CC1CC=CC1 852163348 630981312 /nfs/dbraw/zinc/98/13/12/630981312.db2.gz ZEJIMCHUOFABAU-LBPRGKRZSA-N 1 1 191.274 1.287 10 30 ADEEMO C#C[C@H]1COCC[N@@H+]1CCC1CCC1 852162512 630981352 /nfs/dbraw/zinc/98/13/52/630981352.db2.gz LRXDETWPIZVPBI-LBPRGKRZSA-N 1 1 193.290 1.511 10 30 ADEEMO C#C[C@H]1COCC[N@H+]1CCC1CCC1 852162512 630981356 /nfs/dbraw/zinc/98/13/56/630981356.db2.gz LRXDETWPIZVPBI-LBPRGKRZSA-N 1 1 193.290 1.511 10 30 ADEEMO C#C[C@@H]1COCC[N@H+]1CCC=C(C)C 852162429 630981537 /nfs/dbraw/zinc/98/15/37/630981537.db2.gz JTSZKIMOFUBRDG-GFCCVEGCSA-N 1 1 193.290 1.677 10 30 ADEEMO C#C[C@@H]1COCC[N@@H+]1CCC=C(C)C 852162429 630981544 /nfs/dbraw/zinc/98/15/44/630981544.db2.gz JTSZKIMOFUBRDG-GFCCVEGCSA-N 1 1 193.290 1.677 10 30 ADEEMO C#C[C@H]1COCC[N@H+]1CCC=C(C)C 852162430 630981794 /nfs/dbraw/zinc/98/17/94/630981794.db2.gz JTSZKIMOFUBRDG-LBPRGKRZSA-N 1 1 193.290 1.677 10 30 ADEEMO C#C[C@H]1COCC[N@@H+]1CCC=C(C)C 852162430 630981804 /nfs/dbraw/zinc/98/18/04/630981804.db2.gz JTSZKIMOFUBRDG-LBPRGKRZSA-N 1 1 193.290 1.677 10 30 ADEEMO C#CCOCC[N@H+]1[C@H](C)CCC1(C)C 852147487 630981856 /nfs/dbraw/zinc/98/18/56/630981856.db2.gz CUWFFLCTPGNTCD-LLVKDONJSA-N 1 1 195.306 1.899 10 30 ADEEMO C#C[C@@H]1COCC[N@@H+]1CCC1CCC1 852162511 630982226 /nfs/dbraw/zinc/98/22/26/630982226.db2.gz LRXDETWPIZVPBI-GFCCVEGCSA-N 1 1 193.290 1.511 10 30 ADEEMO C#C[C@@H]1COCC[N@H+]1CCC1CCC1 852162511 630982228 /nfs/dbraw/zinc/98/22/28/630982228.db2.gz LRXDETWPIZVPBI-GFCCVEGCSA-N 1 1 193.290 1.511 10 30 ADEEMO C#CCOCC[N@@H+]1CC[C@@H](C)C[C@H]1C 852189904 630982878 /nfs/dbraw/zinc/98/28/78/630982878.db2.gz CKHKWNRHSUMLRK-VXGBXAGGSA-N 1 1 195.306 1.757 10 30 ADEEMO C#C[C@@H]1COCC[N@H+]1CC1CC=CC1 852163347 630983835 /nfs/dbraw/zinc/98/38/35/630983835.db2.gz ZEJIMCHUOFABAU-GFCCVEGCSA-N 1 1 191.274 1.287 10 30 ADEEMO C=CCC[N@H+](C)C/C(C)=C/C(=O)OC 930252801 630995375 /nfs/dbraw/zinc/99/53/75/630995375.db2.gz DWNFSLRLROAKQN-CSKARUKUSA-N 1 1 197.278 1.614 10 30 ADEEMO C=CCC[N@H+](C)C/C(C)=C\C(=O)OC 930252802 630996273 /nfs/dbraw/zinc/99/62/73/630996273.db2.gz DWNFSLRLROAKQN-NTMALXAHSA-N 1 1 197.278 1.614 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CCCN(C=O)CC1 878637457 631010824 /nfs/dbraw/zinc/01/08/24/631010824.db2.gz GTQRMCKKLYRABV-NSHDSACASA-N 1 1 196.294 1.115 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1CCCN(C=O)CC1 878637456 631010872 /nfs/dbraw/zinc/01/08/72/631010872.db2.gz GTQRMCKKLYRABV-LLVKDONJSA-N 1 1 196.294 1.115 10 30 ADEEMO C=CC[C@@H](C)[N@@H+](C)CC1(C)COC1 879035493 631011332 /nfs/dbraw/zinc/01/13/32/631011332.db2.gz UYTDSUCWZSUXBH-SNVBAGLBSA-N 1 1 183.295 1.919 10 30 ADEEMO C=CC[C@H](C)[N@@H+](C)CC1(C)COC1 879035492 631011611 /nfs/dbraw/zinc/01/16/11/631011611.db2.gz UYTDSUCWZSUXBH-JTQLQIEISA-N 1 1 183.295 1.919 10 30 ADEEMO C=C(C)C[N@H+]1CCCn2nncc2C1 886449799 631014380 /nfs/dbraw/zinc/01/43/80/631014380.db2.gz BXRBGSLCQVFLHX-UHFFFAOYSA-N 1 1 192.266 1.060 10 30 ADEEMO C=CCC[N@H+]1CCCn2nncc2C1 886455202 631017307 /nfs/dbraw/zinc/01/73/07/631017307.db2.gz DZIPOGHHCIFRJU-UHFFFAOYSA-N 1 1 192.266 1.060 10 30 ADEEMO C=CC[N@@H+]1C[C@H]2CSC[C@H]2C1 886554833 631018615 /nfs/dbraw/zinc/01/86/15/631018615.db2.gz DMYFEUOKWVJQEL-DTORHVGOSA-N 1 1 169.293 1.467 10 30 ADEEMO CC#CCC[N@@H+]1C[C@H]2CSC[C@H]2C1 886568544 631019234 /nfs/dbraw/zinc/01/92/34/631019234.db2.gz NFHNCBJVHAKTPW-PHIMTYICSA-N 1 1 195.331 1.695 10 30 ADEEMO C=CCC[N@@H+]1C[C@H]2CSC[C@H]2C1 886560043 631019457 /nfs/dbraw/zinc/01/94/57/631019457.db2.gz LLXMINHZMVOMLX-AOOOYVTPSA-N 1 1 183.320 1.857 10 30 ADEEMO CC#CC[N@@H+]1C[C@H]2CSC[C@H]2C1 886560061 631019997 /nfs/dbraw/zinc/01/99/97/631019997.db2.gz MCVCBCCYOMUCAW-AOOOYVTPSA-N 1 1 181.304 1.305 10 30 ADEEMO C=C(C)C[N@@H+]1C[C@H]2CSC[C@H]2C1 886553743 631020249 /nfs/dbraw/zinc/02/02/49/631020249.db2.gz USRSMVQORMHMMO-AOOOYVTPSA-N 1 1 183.320 1.857 10 30 ADEEMO C#C[C@@H]([NH2+]Cc1nccn1C)C(C)C 301007591 631025352 /nfs/dbraw/zinc/02/53/52/631025352.db2.gz YEFSFEMYSFPJLG-SNVBAGLBSA-N 1 1 191.278 1.168 10 30 ADEEMO C#CC[N@@H+]1CC[C@H](OC)C[C@@H]1C 300752084 631025606 /nfs/dbraw/zinc/02/56/06/631025606.db2.gz HLLMMBDJPXILMI-UWVGGRQHSA-N 1 1 167.252 1.119 10 30 ADEEMO C=C(Cl)C[NH2+][C@H](C)c1ccnnc1 925438346 631040132 /nfs/dbraw/zinc/04/01/32/631040132.db2.gz XNBOGLWSIGZORT-MRVPVSSYSA-N 1 1 197.669 1.880 10 30 ADEEMO C=C(Cl)C[NH2+][C@@H](C)c1ccnnc1 925438347 631041578 /nfs/dbraw/zinc/04/15/78/631041578.db2.gz XNBOGLWSIGZORT-QMMMGPOBSA-N 1 1 197.669 1.880 10 30 ADEEMO N#CCCCN[C@@H]1C[C@H]([NH3+])C12CCC2 925635587 631046331 /nfs/dbraw/zinc/04/63/31/631046331.db2.gz RXIYCBSRIYUKQF-VHSXEESVSA-N 1 1 193.294 1.150 10 30 ADEEMO C=C(C)CCN[C@@H]1CC[NH2+]C12CCC2 925681967 631046480 /nfs/dbraw/zinc/04/64/80/631046480.db2.gz RFRJZAQXSFVQNU-LLVKDONJSA-N 1 1 194.322 1.827 10 30 ADEEMO C=C(C)CCN[C@H]1CC[NH2+]C12CCC2 925681969 631046753 /nfs/dbraw/zinc/04/67/53/631046753.db2.gz RFRJZAQXSFVQNU-NSHDSACASA-N 1 1 194.322 1.827 10 30 ADEEMO N#CCCCN[C@H]1C[C@H]([NH3+])C12CCC2 925635586 631047934 /nfs/dbraw/zinc/04/79/34/631047934.db2.gz RXIYCBSRIYUKQF-UWVGGRQHSA-N 1 1 193.294 1.150 10 30 ADEEMO N#CCCCN[C@H]1C[C@@H]([NH3+])C12CCC2 925635588 631048388 /nfs/dbraw/zinc/04/83/88/631048388.db2.gz RXIYCBSRIYUKQF-ZJUUUORDSA-N 1 1 193.294 1.150 10 30 ADEEMO N#CCCCN[C@@H]1C[C@@H]([NH3+])C12CCC2 925635585 631048525 /nfs/dbraw/zinc/04/85/25/631048525.db2.gz RXIYCBSRIYUKQF-NXEZZACHSA-N 1 1 193.294 1.150 10 30 ADEEMO C=CC[C@@H](C)[C@H](C)N[C@@H]1C[NH2+]C[C@H]1C 925782995 631052796 /nfs/dbraw/zinc/05/27/96/631052796.db2.gz AHYJUWCBMJGQNF-WISYIIOYSA-N 1 1 196.338 1.785 10 30 ADEEMO C=CCC[C@H](CC)N[C@@H]1C[NH2+]C[C@H]1C 925785043 631052832 /nfs/dbraw/zinc/05/28/32/631052832.db2.gz ITTOYUHWDBPFJF-GRYCIOLGSA-N 1 1 196.338 1.929 10 30 ADEEMO C=CCC[C@@H](CC)N[C@@H]1C[NH2+]C[C@H]1C 925785044 631053533 /nfs/dbraw/zinc/05/35/33/631053533.db2.gz ITTOYUHWDBPFJF-IJLUTSLNSA-N 1 1 196.338 1.929 10 30 ADEEMO C=CC[C@@H](C)[C@@H](C)N[C@@H]1C[NH2+]C[C@H]1C 925782992 631053698 /nfs/dbraw/zinc/05/36/98/631053698.db2.gz AHYJUWCBMJGQNF-DDHJBXDOSA-N 1 1 196.338 1.785 10 30 ADEEMO C=CC[C@H](C)[C@@H](C)N[C@@H]1C[NH2+]C[C@H]1C 925782993 631054590 /nfs/dbraw/zinc/05/45/90/631054590.db2.gz AHYJUWCBMJGQNF-IRCOFANPSA-N 1 1 196.338 1.785 10 30 ADEEMO C=CC[C@H](C)[C@H](C)N[C@@H]1C[NH2+]C[C@H]1C 925782994 631055056 /nfs/dbraw/zinc/05/50/56/631055056.db2.gz AHYJUWCBMJGQNF-WHOHXGKFSA-N 1 1 196.338 1.785 10 30 ADEEMO C=CC[C@H](CO)[NH2+][C@H](C)c1ncco1 926155147 631058876 /nfs/dbraw/zinc/05/88/76/631058876.db2.gz WSNMOOLBHLJSKX-RKDXNWHRSA-N 1 1 196.250 1.262 10 30 ADEEMO C=CC[C@@H](CO)[NH2+][C@H](C)c1ncco1 926155144 631059822 /nfs/dbraw/zinc/05/98/22/631059822.db2.gz WSNMOOLBHLJSKX-BDAKNGLRSA-N 1 1 196.250 1.262 10 30 ADEEMO C=CC[C@@H](CO)[NH2+][C@@H](C)c1ncco1 926155146 631060008 /nfs/dbraw/zinc/06/00/08/631060008.db2.gz WSNMOOLBHLJSKX-IUCAKERBSA-N 1 1 196.250 1.262 10 30 ADEEMO C=CC[C@H](CO)[NH2+][C@@H](C)c1ncco1 926155145 631060858 /nfs/dbraw/zinc/06/08/58/631060858.db2.gz WSNMOOLBHLJSKX-DTWKUNHWSA-N 1 1 196.250 1.262 10 30 ADEEMO C=C(C)C[N@H+](CC)[C@H](CC)CO 929217019 631085443 /nfs/dbraw/zinc/08/54/43/631085443.db2.gz IDNPGMJUDNZPBW-SNVBAGLBSA-N 1 1 171.284 1.655 10 30 ADEEMO C=C(C)C[N@H+](CC)[C@@H](CC)CO 929217017 631085570 /nfs/dbraw/zinc/08/55/70/631085570.db2.gz IDNPGMJUDNZPBW-JTQLQIEISA-N 1 1 171.284 1.655 10 30 ADEEMO COC/C(C)=C\C[N@H+](C)C[C@@H](C)C#N 929474336 631093849 /nfs/dbraw/zinc/09/38/49/631093849.db2.gz LIZKVLULFKEHCC-VQNWOSHQSA-N 1 1 196.294 1.671 10 30 ADEEMO COC/C(C)=C\C[N@@H+](C)C[C@@H](C)C#N 929474336 631093851 /nfs/dbraw/zinc/09/38/51/631093851.db2.gz LIZKVLULFKEHCC-VQNWOSHQSA-N 1 1 196.294 1.671 10 30 ADEEMO COC/C(C)=C/C[N@@H+](C)C[C@@H](C)C#N 929474335 631094527 /nfs/dbraw/zinc/09/45/27/631094527.db2.gz LIZKVLULFKEHCC-UAWPZABVSA-N 1 1 196.294 1.671 10 30 ADEEMO COC/C(C)=C/C[N@H+](C)C[C@@H](C)C#N 929474335 631094516 /nfs/dbraw/zinc/09/45/16/631094516.db2.gz LIZKVLULFKEHCC-UAWPZABVSA-N 1 1 196.294 1.671 10 30 ADEEMO CC1(C)CCC[N@H+]1C[C@H](O)CC#N 929506566 631094654 /nfs/dbraw/zinc/09/46/54/631094654.db2.gz YAHAKESRQGCOFI-SECBINFHSA-N 1 1 182.267 1.135 10 30 ADEEMO COC/C(C)=C/C[N@@H+](C)C[C@H](C)C#N 929474334 631095393 /nfs/dbraw/zinc/09/53/93/631095393.db2.gz LIZKVLULFKEHCC-IGLBNKAOSA-N 1 1 196.294 1.671 10 30 ADEEMO COC/C(C)=C/C[N@H+](C)C[C@H](C)C#N 929474334 631095388 /nfs/dbraw/zinc/09/53/88/631095388.db2.gz LIZKVLULFKEHCC-IGLBNKAOSA-N 1 1 196.294 1.671 10 30 ADEEMO COC/C(C)=C\C[N@H+](C)C[C@H](C)C#N 929474333 631095905 /nfs/dbraw/zinc/09/59/05/631095905.db2.gz LIZKVLULFKEHCC-GULOHRGCSA-N 1 1 196.294 1.671 10 30 ADEEMO COC/C(C)=C\C[N@@H+](C)C[C@H](C)C#N 929474333 631095906 /nfs/dbraw/zinc/09/59/06/631095906.db2.gz LIZKVLULFKEHCC-GULOHRGCSA-N 1 1 196.294 1.671 10 30 ADEEMO C[C@H]1CCCCC[N@H+]1C[C@H](O)CC#N 929649445 631097070 /nfs/dbraw/zinc/09/70/70/631097070.db2.gz FJHPRCQOCRMLJB-WDEREUQCSA-N 1 1 196.294 1.525 10 30 ADEEMO C[C@@H]1CCCCC[N@H+]1C[C@H](O)CC#N 929649442 631097118 /nfs/dbraw/zinc/09/71/18/631097118.db2.gz FJHPRCQOCRMLJB-GHMZBOCLSA-N 1 1 196.294 1.525 10 30 ADEEMO N#CC[C@@H](O)C[N@H+]1CCC[C@@H]1C1CC1 929509289 631098114 /nfs/dbraw/zinc/09/81/14/631098114.db2.gz HXUZWRYFPOSWDI-GHMZBOCLSA-N 1 1 194.278 1.135 10 30 ADEEMO N#CC[C@@H](O)C[N@H+]1CCC[C@H]1C1CC1 929509290 631098300 /nfs/dbraw/zinc/09/83/00/631098300.db2.gz HXUZWRYFPOSWDI-MNOVXSKESA-N 1 1 194.278 1.135 10 30 ADEEMO C[C@H]1CCC[N@@H+](C[C@H](O)CC#N)[C@H]1C 929705772 631098628 /nfs/dbraw/zinc/09/86/28/631098628.db2.gz ZBBXTSIQBQTEPC-GARJFASQSA-N 1 1 196.294 1.381 10 30 ADEEMO C[C@H]1CCC[N@@H+](C[C@H](O)CC#N)[C@@H]1C 929705775 631099143 /nfs/dbraw/zinc/09/91/43/631099143.db2.gz ZBBXTSIQBQTEPC-HBNTYKKESA-N 1 1 196.294 1.381 10 30 ADEEMO C[C@H]1[C@H](C)CCC[N@H+]1C[C@H](O)CC#N 929705776 631099675 /nfs/dbraw/zinc/09/96/75/631099675.db2.gz ZBBXTSIQBQTEPC-OUAUKWLOSA-N 1 1 196.294 1.381 10 30 ADEEMO C[C@@H]1CCC[N@@H+](C[C@H](O)CC#N)[C@@H]1C 929705774 631099800 /nfs/dbraw/zinc/09/98/00/631099800.db2.gz ZBBXTSIQBQTEPC-GMTAPVOTSA-N 1 1 196.294 1.381 10 30 ADEEMO CC[N@@H+](C/C=C(/C)COC)CCC#N 929775472 631100740 /nfs/dbraw/zinc/10/07/40/631100740.db2.gz LSIBOSJRWYESIN-WDZFZDKYSA-N 1 1 196.294 1.815 10 30 ADEEMO CC[N@H+](C/C=C(/C)COC)CCC#N 929775472 631100743 /nfs/dbraw/zinc/10/07/43/631100743.db2.gz LSIBOSJRWYESIN-WDZFZDKYSA-N 1 1 196.294 1.815 10 30 ADEEMO CC[C@H]1C[C@H](C)C[N@H+]1C[C@H](O)CC#N 929764740 631100816 /nfs/dbraw/zinc/10/08/16/631100816.db2.gz ZWBPPPSKPSNDIP-GARJFASQSA-N 1 1 196.294 1.381 10 30 ADEEMO C[C@H]1CC[C@@H](C)[N@@H+](C[C@H](O)CC#N)C1 929757330 631100836 /nfs/dbraw/zinc/10/08/36/631100836.db2.gz PIDGSEJVNQQNDI-HBNTYKKESA-N 1 1 196.294 1.381 10 30 ADEEMO C[C@@H]1CC[C@@H](C)[N@@H+](C[C@H](O)CC#N)C1 929757329 631101024 /nfs/dbraw/zinc/10/10/24/631101024.db2.gz PIDGSEJVNQQNDI-GMTAPVOTSA-N 1 1 196.294 1.381 10 30 ADEEMO CC[N@@H+](C/C=C(\C)COC)CCC#N 929775471 631101322 /nfs/dbraw/zinc/10/13/22/631101322.db2.gz LSIBOSJRWYESIN-IZZDOVSWSA-N 1 1 196.294 1.815 10 30 ADEEMO CC[N@H+](C/C=C(\C)COC)CCC#N 929775471 631101326 /nfs/dbraw/zinc/10/13/26/631101326.db2.gz LSIBOSJRWYESIN-IZZDOVSWSA-N 1 1 196.294 1.815 10 30 ADEEMO C#CC[N@@H+](CC)Cc1cncc(C#N)c1 929787990 631101386 /nfs/dbraw/zinc/10/13/86/631101386.db2.gz OKTDGKURAJPUIW-UHFFFAOYSA-N 1 1 199.257 1.408 10 30 ADEEMO C#CC[N@H+](CC)Cc1cncc(C#N)c1 929787990 631101387 /nfs/dbraw/zinc/10/13/87/631101387.db2.gz OKTDGKURAJPUIW-UHFFFAOYSA-N 1 1 199.257 1.408 10 30 ADEEMO CC[C@H]1C[C@@H](C)C[N@H+]1C[C@H](O)CC#N 929764743 631101393 /nfs/dbraw/zinc/10/13/93/631101393.db2.gz ZWBPPPSKPSNDIP-OUAUKWLOSA-N 1 1 196.294 1.381 10 30 ADEEMO C#CC[NH+](CC#C)C/C=C(/C)COC 929758807 631101531 /nfs/dbraw/zinc/10/15/31/631101531.db2.gz TTXGPRSXIQCFHI-GHXNOFRVSA-N 1 1 191.274 1.148 10 30 ADEEMO C#CC[NH+](CC#C)C/C=C(\C)COC 929758808 631101860 /nfs/dbraw/zinc/10/18/60/631101860.db2.gz TTXGPRSXIQCFHI-KPKJPENVSA-N 1 1 191.274 1.148 10 30 ADEEMO C#CC[N@@H+](CC)CCc1ccns1 929788131 631101878 /nfs/dbraw/zinc/10/18/78/631101878.db2.gz PHGYUUYOHZDOEX-UHFFFAOYSA-N 1 1 194.303 1.641 10 30 ADEEMO C[C@H]1CC[C@H](C)[N@@H+](C[C@H](O)CC#N)C1 929757328 631102052 /nfs/dbraw/zinc/10/20/52/631102052.db2.gz PIDGSEJVNQQNDI-GARJFASQSA-N 1 1 196.294 1.381 10 30 ADEEMO C#CC[N@H+](CC)C[C@@H](COC)C(C)C 929788152 631102129 /nfs/dbraw/zinc/10/21/29/631102129.db2.gz PQSCXXAEBUFCBA-LBPRGKRZSA-N 1 1 197.322 1.860 10 30 ADEEMO C[C@H]1CC[C@@H](C)C[N@@H+]1C[C@H](O)CC#N 929757331 631102163 /nfs/dbraw/zinc/10/21/63/631102163.db2.gz PIDGSEJVNQQNDI-OUAUKWLOSA-N 1 1 196.294 1.381 10 30 ADEEMO CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@H](O)CC#N 929764741 631102172 /nfs/dbraw/zinc/10/21/72/631102172.db2.gz ZWBPPPSKPSNDIP-GMTAPVOTSA-N 1 1 196.294 1.381 10 30 ADEEMO CC[C@@H]1C[C@H](C)C[N@H+]1C[C@H](O)CC#N 929764742 631102647 /nfs/dbraw/zinc/10/26/47/631102647.db2.gz ZWBPPPSKPSNDIP-HBNTYKKESA-N 1 1 196.294 1.381 10 30 ADEEMO C#CC[N@H+](CC)C[C@H](COC)C(C)C 929788151 631102664 /nfs/dbraw/zinc/10/26/64/631102664.db2.gz PQSCXXAEBUFCBA-GFCCVEGCSA-N 1 1 197.322 1.860 10 30 ADEEMO C#CC[N@H+](CC)Cc1ccc(N)nc1 929787259 631102623 /nfs/dbraw/zinc/10/26/23/631102623.db2.gz KMGBLRIZJHNHLH-UHFFFAOYSA-N 1 1 189.262 1.119 10 30 ADEEMO COC/C(C)=C\C[N@H+](C)[C@@H](C)CC#N 929833598 631103155 /nfs/dbraw/zinc/10/31/55/631103155.db2.gz ZSAOZDXPUUTHGL-YAEJEKNGSA-N 1 1 196.294 1.813 10 30 ADEEMO COC/C(C)=C\C[N@@H+](C)[C@@H](C)CC#N 929833598 631103157 /nfs/dbraw/zinc/10/31/57/631103157.db2.gz ZSAOZDXPUUTHGL-YAEJEKNGSA-N 1 1 196.294 1.813 10 30 ADEEMO COC/C(C)=C/C[N@H+](C)[C@@H](C)CC#N 929833595 631103288 /nfs/dbraw/zinc/10/32/88/631103288.db2.gz ZSAOZDXPUUTHGL-RUYJGKKWSA-N 1 1 196.294 1.813 10 30 ADEEMO COC/C(C)=C/C[N@@H+](C)[C@@H](C)CC#N 929833595 631103290 /nfs/dbraw/zinc/10/32/90/631103290.db2.gz ZSAOZDXPUUTHGL-RUYJGKKWSA-N 1 1 196.294 1.813 10 30 ADEEMO CC(C)[C@H]1CC[N@@H+](C[C@H](O)CC#N)C1 929820894 631103339 /nfs/dbraw/zinc/10/33/39/631103339.db2.gz NUMVNRULKMVSON-WDEREUQCSA-N 1 1 196.294 1.239 10 30 ADEEMO COC/C(C)=C/C[N@H+](C)[C@H](C)CC#N 929833588 631103368 /nfs/dbraw/zinc/10/33/68/631103368.db2.gz ZSAOZDXPUUTHGL-CDCCAWJDSA-N 1 1 196.294 1.813 10 30 ADEEMO COC/C(C)=C/C[N@@H+](C)[C@H](C)CC#N 929833588 631103369 /nfs/dbraw/zinc/10/33/69/631103369.db2.gz ZSAOZDXPUUTHGL-CDCCAWJDSA-N 1 1 196.294 1.813 10 30 ADEEMO CC(C)[N@H+](CC1CC1)C[C@H](O)CC#N 929875982 631103412 /nfs/dbraw/zinc/10/34/12/631103412.db2.gz DPHOVLGUWWBNSX-LLVKDONJSA-N 1 1 196.294 1.381 10 30 ADEEMO CC(C)[C@@H]1CC[N@@H+](C[C@H](O)CC#N)C1 929820893 631103483 /nfs/dbraw/zinc/10/34/83/631103483.db2.gz NUMVNRULKMVSON-GHMZBOCLSA-N 1 1 196.294 1.239 10 30 ADEEMO C[C@H]1CC[C@@H](C)[N@H+]1C[C@H](O)CC#N 929829502 631104162 /nfs/dbraw/zinc/10/41/62/631104162.db2.gz RQLOFQWLEACPJZ-KXUCPTDWSA-N 1 1 182.267 1.134 10 30 ADEEMO COC/C(C)=C\C[N@H+](C)[C@H](C)CC#N 929833597 631104208 /nfs/dbraw/zinc/10/42/08/631104208.db2.gz ZSAOZDXPUUTHGL-SDKXAQGSSA-N 1 1 196.294 1.813 10 30 ADEEMO COC/C(C)=C\C[N@@H+](C)[C@H](C)CC#N 929833597 631104209 /nfs/dbraw/zinc/10/42/09/631104209.db2.gz ZSAOZDXPUUTHGL-SDKXAQGSSA-N 1 1 196.294 1.813 10 30 ADEEMO Cc1[nH]c(CN(C)CCC#N)c(C)[nH+]1 929809911 631104470 /nfs/dbraw/zinc/10/44/70/631104470.db2.gz VBYPXPZINMUPPV-UHFFFAOYSA-N 1 1 192.266 1.372 10 30 ADEEMO C[C@@H]1CC[N@@H+](C[C@H](O)CC#N)C[C@@H]1C 930143807 631106866 /nfs/dbraw/zinc/10/68/66/631106866.db2.gz AJRDHASKCHLYPS-OUAUKWLOSA-N 1 1 196.294 1.239 10 30 ADEEMO CC[C@@H]1CC[C@@H](C)[N@H+]1C[C@H](O)CC#N 930175448 631106926 /nfs/dbraw/zinc/10/69/26/631106926.db2.gz SXDVUXXDHOGVMP-GMTAPVOTSA-N 1 1 196.294 1.524 10 30 ADEEMO C[C@@H]1C[N@H+](C[C@H](O)CC#N)CC[C@H]1C 930143803 631107442 /nfs/dbraw/zinc/10/74/42/631107442.db2.gz AJRDHASKCHLYPS-GMTAPVOTSA-N 1 1 196.294 1.239 10 30 ADEEMO CC[C@H]1CC[C@@H](C)[N@H+]1C[C@H](O)CC#N 930175450 631107587 /nfs/dbraw/zinc/10/75/87/631107587.db2.gz SXDVUXXDHOGVMP-OUAUKWLOSA-N 1 1 196.294 1.524 10 30 ADEEMO CC[C@@H]1CC[C@H](C)[N@H+]1C[C@H](O)CC#N 930175449 631107781 /nfs/dbraw/zinc/10/77/81/631107781.db2.gz SXDVUXXDHOGVMP-HBNTYKKESA-N 1 1 196.294 1.524 10 30 ADEEMO C[C@H]1CC[N@@H+](C[C@H](O)CC#N)C[C@@H]1C 930143802 631108370 /nfs/dbraw/zinc/10/83/70/631108370.db2.gz AJRDHASKCHLYPS-GARJFASQSA-N 1 1 196.294 1.239 10 30 ADEEMO C[C@H]1CC[N@@H+](C[C@H](O)CC#N)C[C@H]1C 930143805 631108409 /nfs/dbraw/zinc/10/84/09/631108409.db2.gz AJRDHASKCHLYPS-HBNTYKKESA-N 1 1 196.294 1.239 10 30 ADEEMO CC[C@H]1CC[C@H](C)[N@H+]1C[C@H](O)CC#N 930175447 631108429 /nfs/dbraw/zinc/10/84/29/631108429.db2.gz SXDVUXXDHOGVMP-GARJFASQSA-N 1 1 196.294 1.524 10 30 ADEEMO C=CCC[N@@H+](C)CCO[C@@H]1CCOC1 930253021 631108819 /nfs/dbraw/zinc/10/88/19/631108819.db2.gz JHZYGPQRFAJZSR-LLVKDONJSA-N 1 1 199.294 1.300 10 30 ADEEMO C=CCC[N@H+](C)CCc1nnc(C)o1 930253241 631108881 /nfs/dbraw/zinc/10/88/81/631108881.db2.gz OFEPZVDPDOPEFP-UHFFFAOYSA-N 1 1 195.266 1.428 10 30 ADEEMO C=CCC[N@H+](C)Cc1ccc(N)nc1 930252828 631109179 /nfs/dbraw/zinc/10/91/79/631109179.db2.gz FQCNJERXXGCAPZ-UHFFFAOYSA-N 1 1 191.278 1.672 10 30 ADEEMO C=CCC[N@@H+](C)CCO[C@H]1CCOC1 930253022 631109287 /nfs/dbraw/zinc/10/92/87/631109287.db2.gz JHZYGPQRFAJZSR-NSHDSACASA-N 1 1 199.294 1.300 10 30 ADEEMO C=C(C)C[N@@H+](C)CCc1nnc(C)o1 930244104 631109426 /nfs/dbraw/zinc/10/94/26/631109426.db2.gz KWCWAUXAMXVPJZ-UHFFFAOYSA-N 1 1 195.266 1.428 10 30 ADEEMO C=C(C)C[N@H+](C)Cc1ccc(N)nc1 930245520 631109483 /nfs/dbraw/zinc/10/94/83/631109483.db2.gz VMWVKGJWLSNIQP-UHFFFAOYSA-N 1 1 191.278 1.672 10 30 ADEEMO C=C(C)C[N@@H+](C)CCO[C@H]1CCOC1 930244724 631109559 /nfs/dbraw/zinc/10/95/59/631109559.db2.gz OXIDOKKLIIQUEC-NSHDSACASA-N 1 1 199.294 1.300 10 30 ADEEMO C=C(C)C[N@@H+](C)Cc1nn(C)cc1C 930245531 631109598 /nfs/dbraw/zinc/10/95/98/631109598.db2.gz VPQCTMSTCICRTN-UHFFFAOYSA-N 1 1 193.294 1.736 10 30 ADEEMO C=C(C)C[N@H+](C)Cc1nn(C)cc1C 930245531 631109604 /nfs/dbraw/zinc/10/96/04/631109604.db2.gz VPQCTMSTCICRTN-UHFFFAOYSA-N 1 1 193.294 1.736 10 30 ADEEMO C=CCC[N@H+](C)C(COC)COC 930252915 631110131 /nfs/dbraw/zinc/11/01/31/631110131.db2.gz HMSMWSVYNDNDAB-UHFFFAOYSA-N 1 1 187.283 1.156 10 30 ADEEMO C=CCC[N@H+](C)Cc1nn(C)cc1C 930252868 631110403 /nfs/dbraw/zinc/11/04/03/631110403.db2.gz GFFZUFFJTNESNY-UHFFFAOYSA-N 1 1 193.294 1.736 10 30 ADEEMO C=C(C)C[N@@H+](C)CCO[C@@H]1CCOC1 930244722 631110373 /nfs/dbraw/zinc/11/03/73/631110373.db2.gz OXIDOKKLIIQUEC-LLVKDONJSA-N 1 1 199.294 1.300 10 30 ADEEMO CC#CC[N@@H+](C)CCc1ccns1 930590004 631112842 /nfs/dbraw/zinc/11/28/42/631112842.db2.gz PIUMDWCHSLAGTP-UHFFFAOYSA-N 1 1 194.303 1.641 10 30 ADEEMO CC#CC[N@H+](C)C[C@@H](COC)C(C)C 930590025 631112854 /nfs/dbraw/zinc/11/28/54/631112854.db2.gz PRNDRVDNHYCZSQ-LBPRGKRZSA-N 1 1 197.322 1.860 10 30 ADEEMO CC#CC[N@H+](C)C[C@H](COC)C(C)C 930590024 631112877 /nfs/dbraw/zinc/11/28/77/631112877.db2.gz PRNDRVDNHYCZSQ-GFCCVEGCSA-N 1 1 197.322 1.860 10 30 ADEEMO C[C@@H]1C[N@@H+](C[C@H](O)CC#N)[C@H](C)[C@H]1C 930744466 631113110 /nfs/dbraw/zinc/11/31/10/631113110.db2.gz QTWDUXFGSNWPJQ-LMLFDSFASA-N 1 1 196.294 1.237 10 30 ADEEMO C[C@@H]1C[N@@H+](C[C@H](O)CC#N)[C@H](C)[C@@H]1C 930744465 631113691 /nfs/dbraw/zinc/11/36/91/631113691.db2.gz QTWDUXFGSNWPJQ-GWOFURMSSA-N 1 1 196.294 1.237 10 30 ADEEMO C#C[C@H]1COCC[N@H+]1C[C@@H]1C[C@H]1CC 930704120 631113835 /nfs/dbraw/zinc/11/38/35/631113835.db2.gz JOBVTRKTSVLTRY-WOPDTQHZSA-N 1 1 193.290 1.367 10 30 ADEEMO C#C[C@H]1COCC[N@@H+]1C[C@@H]1C[C@H]1CC 930704120 631113837 /nfs/dbraw/zinc/11/38/37/631113837.db2.gz JOBVTRKTSVLTRY-WOPDTQHZSA-N 1 1 193.290 1.367 10 30 ADEEMO C#C[C@@H]1COCC[N@H+]1C[C@@H]1C[C@H]1CC 930704118 631113912 /nfs/dbraw/zinc/11/39/12/631113912.db2.gz JOBVTRKTSVLTRY-GRYCIOLGSA-N 1 1 193.290 1.367 10 30 ADEEMO C#C[C@@H]1COCC[N@@H+]1C[C@@H]1C[C@H]1CC 930704118 631113914 /nfs/dbraw/zinc/11/39/14/631113914.db2.gz JOBVTRKTSVLTRY-GRYCIOLGSA-N 1 1 193.290 1.367 10 30 ADEEMO C#C[C@H]1COCC[N@H+]1CC1CC(C)C1 930705782 631114478 /nfs/dbraw/zinc/11/44/78/631114478.db2.gz TUUQQJUNURWGKA-MCIGGMRASA-N 1 1 193.290 1.367 10 30 ADEEMO C#C[C@H]1COCC[N@@H+]1CC1CC(C)C1 930705782 631114480 /nfs/dbraw/zinc/11/44/80/631114480.db2.gz TUUQQJUNURWGKA-MCIGGMRASA-N 1 1 193.290 1.367 10 30 ADEEMO C[C@@H]1C[N@@H+](C[C@H](O)CC#N)[C@@H](C)[C@H]1C 930744467 631114515 /nfs/dbraw/zinc/11/45/15/631114515.db2.gz QTWDUXFGSNWPJQ-VPOLOUISSA-N 1 1 196.294 1.237 10 30 ADEEMO C#C[C@@H]1COCC[N@H+]1CC1CC(C)C1 930705781 631114804 /nfs/dbraw/zinc/11/48/04/631114804.db2.gz TUUQQJUNURWGKA-HTAVTVPLSA-N 1 1 193.290 1.367 10 30 ADEEMO C#C[C@@H]1COCC[N@@H+]1CC1CC(C)C1 930705781 631114807 /nfs/dbraw/zinc/11/48/07/631114807.db2.gz TUUQQJUNURWGKA-HTAVTVPLSA-N 1 1 193.290 1.367 10 30 ADEEMO C[C@@H]1C[N@@H+](C[C@H](O)CC#N)[C@@H](C)[C@@H]1C 930744464 631114866 /nfs/dbraw/zinc/11/48/66/631114866.db2.gz QTWDUXFGSNWPJQ-CHWFTXMASA-N 1 1 196.294 1.237 10 30 ADEEMO Cc1[nH]c(CN[C@@H](C)CC#N)c(C)[nH+]1 930866192 631115367 /nfs/dbraw/zinc/11/53/67/631115367.db2.gz BWUSNQLOKPQHAU-ZETCQYMHSA-N 1 1 192.266 1.418 10 30 ADEEMO C#CC[C@H]1CCC[N@H+]([C@H](CC)CO)C1 930817875 631115458 /nfs/dbraw/zinc/11/54/58/631115458.db2.gz ZOONZCJZPWYCRI-NWDGAFQWSA-N 1 1 195.306 1.493 10 30 ADEEMO C#C[C@H]1CCC[N@H+]([C@H](CC)CO)C1 930886632 631115482 /nfs/dbraw/zinc/11/54/82/631115482.db2.gz VDFPQWFOYLADBO-WDEREUQCSA-N 1 1 181.279 1.103 10 30 ADEEMO C[C@H](C1CC1)[N@H+]1CC[C@](O)(CC#N)C1 930818686 631115537 /nfs/dbraw/zinc/11/55/37/631115537.db2.gz LBIUBWDXBKOKJB-MWLCHTKSSA-N 1 1 194.278 1.135 10 30 ADEEMO C#C[C@H]1CCC[N@@H+](CCOC2CC2)C1 930885570 631115895 /nfs/dbraw/zinc/11/58/95/631115895.db2.gz OKSRHQHJPSGSEE-NSHDSACASA-N 1 1 193.290 1.511 10 30 ADEEMO Cc1[nH]c(CN[C@H](C)CC#N)c(C)[nH+]1 930866191 631116078 /nfs/dbraw/zinc/11/60/78/631116078.db2.gz BWUSNQLOKPQHAU-SSDOTTSWSA-N 1 1 192.266 1.418 10 30 ADEEMO N#CC[C@@H](O)C[N@H+]1CCC12CCCC2 930847219 631116097 /nfs/dbraw/zinc/11/60/97/631116097.db2.gz ZCAAIQOYBJTGDV-SNVBAGLBSA-N 1 1 194.278 1.279 10 30 ADEEMO C=CCCC[N@@H+]1CC[C@H](N(C)C)[C@@H]1C 931041175 631118141 /nfs/dbraw/zinc/11/81/41/631118141.db2.gz GDFZJUQXWAWPIE-RYUDHWBXSA-N 1 1 196.338 1.977 10 30 ADEEMO C#C[C@@H]1CCC[N@@H+](CCOC2CC2)C1 930885569 631116114 /nfs/dbraw/zinc/11/61/14/631116114.db2.gz OKSRHQHJPSGSEE-LLVKDONJSA-N 1 1 193.290 1.511 10 30 ADEEMO C#C[C@H]1CCC[N@H+]([C@@H](CC)CO)C1 930886631 631116193 /nfs/dbraw/zinc/11/61/93/631116193.db2.gz VDFPQWFOYLADBO-QWRGUYRKSA-N 1 1 181.279 1.103 10 30 ADEEMO C#CC[C@H]1CCC[N@H+]([C@@H](CC)CO)C1 930817876 631116208 /nfs/dbraw/zinc/11/62/08/631116208.db2.gz ZOONZCJZPWYCRI-RYUDHWBXSA-N 1 1 195.306 1.493 10 30 ADEEMO C[C@H](C1CC1)[N@H+]1CC[C@@](O)(CC#N)C1 930818685 631116231 /nfs/dbraw/zinc/11/62/31/631116231.db2.gz LBIUBWDXBKOKJB-KOLCDFICSA-N 1 1 194.278 1.135 10 30 ADEEMO C=CC[C@H]1CC[N@H+](C[C@H](O)CC#N)C1 931164692 631120399 /nfs/dbraw/zinc/12/03/99/631120399.db2.gz YDHVMBUGRMLHOA-WDEREUQCSA-N 1 1 194.278 1.159 10 30 ADEEMO C[C@@H](C1CC1)[N@H+]1CC[C@@](O)(CC#N)C1 930818687 631116553 /nfs/dbraw/zinc/11/65/53/631116553.db2.gz LBIUBWDXBKOKJB-ONGXEEELSA-N 1 1 194.278 1.135 10 30 ADEEMO C#CC[C@@H]1CCC[N@H+]([C@@H](CC)CO)C1 930817874 631116709 /nfs/dbraw/zinc/11/67/09/631116709.db2.gz ZOONZCJZPWYCRI-NEPJUHHUSA-N 1 1 195.306 1.493 10 30 ADEEMO C[C@@H](C1CC1)[N@H+]1CC[C@](O)(CC#N)C1 930818684 631116899 /nfs/dbraw/zinc/11/68/99/631116899.db2.gz LBIUBWDXBKOKJB-GXSJLCMTSA-N 1 1 194.278 1.135 10 30 ADEEMO C#CC[C@@H]1CCC[N@H+]([C@H](CC)CO)C1 930817877 631116970 /nfs/dbraw/zinc/11/69/70/631116970.db2.gz ZOONZCJZPWYCRI-VXGBXAGGSA-N 1 1 195.306 1.493 10 30 ADEEMO C#C[C@@H]1CCC[N@H+]([C@@H](CC)CO)C1 930886630 631116996 /nfs/dbraw/zinc/11/69/96/631116996.db2.gz VDFPQWFOYLADBO-MNOVXSKESA-N 1 1 181.279 1.103 10 30 ADEEMO C#C[C@@H]1CCC[N@H+]([C@H](CC)CO)C1 930886629 631117067 /nfs/dbraw/zinc/11/70/67/631117067.db2.gz VDFPQWFOYLADBO-GHMZBOCLSA-N 1 1 181.279 1.103 10 30 ADEEMO C=CCCC[N@@H+]1CC[C@@H](N(C)C)[C@H]1C 931041176 631117530 /nfs/dbraw/zinc/11/75/30/631117530.db2.gz GDFZJUQXWAWPIE-VXGBXAGGSA-N 1 1 196.338 1.977 10 30 ADEEMO C=CC[N@@H+]1[C@@H](C)[C@H](C(N)=O)CC[C@H]1C 930918288 631117678 /nfs/dbraw/zinc/11/76/78/631117678.db2.gz NWCASOJLMNMYJM-KXUCPTDWSA-N 1 1 196.294 1.147 10 30 ADEEMO C=CC[N@@H+]1[C@@H](C)[C@@H](C(N)=O)CC[C@H]1C 930918290 631118466 /nfs/dbraw/zinc/11/84/66/631118466.db2.gz NWCASOJLMNMYJM-UTLUCORTSA-N 1 1 196.294 1.147 10 30 ADEEMO C=CC[N@H+]1[C@H](C)CC[C@@H](C(N)=O)[C@H]1C 930918289 631118648 /nfs/dbraw/zinc/11/86/48/631118648.db2.gz NWCASOJLMNMYJM-OPRDCNLKSA-N 1 1 196.294 1.147 10 30 ADEEMO C=CCCC[N@@H+]1CC[C@H](N(C)C)[C@H]1C 931041173 631119054 /nfs/dbraw/zinc/11/90/54/631119054.db2.gz GDFZJUQXWAWPIE-NEPJUHHUSA-N 1 1 196.338 1.977 10 30 ADEEMO C=CCCC[N@@H+]1CC[C@@H](N(C)C)[C@@H]1C 931041174 631119070 /nfs/dbraw/zinc/11/90/70/631119070.db2.gz GDFZJUQXWAWPIE-NWDGAFQWSA-N 1 1 196.338 1.977 10 30 ADEEMO C=CC[N@H+]1[C@H](C)CC[C@H](C(N)=O)[C@H]1C 930918287 631119161 /nfs/dbraw/zinc/11/91/61/631119161.db2.gz NWCASOJLMNMYJM-BBBLOLIVSA-N 1 1 196.294 1.147 10 30 ADEEMO C=C1C[C@@H]2CC[C@H](C1)[N@H+]2[C@H](CC)CO 931062659 631119791 /nfs/dbraw/zinc/11/97/91/631119791.db2.gz LASDANRBKSDVRW-UTUOFQBUSA-N 1 1 195.306 1.940 10 30 ADEEMO C=CC[C@@H]1CC[N@H+](C[C@H](O)CC#N)C1 931164691 631119842 /nfs/dbraw/zinc/11/98/42/631119842.db2.gz YDHVMBUGRMLHOA-GHMZBOCLSA-N 1 1 194.278 1.159 10 30 ADEEMO C=CC[C@@H]1CC[N@H+](CC[N+](=O)[O-])C1 931164232 631119873 /nfs/dbraw/zinc/11/98/73/631119873.db2.gz UBLMCCSMQIRVDU-SECBINFHSA-N 1 1 184.239 1.161 10 30 ADEEMO C[N@H+](C[C@H]1CC1(C)C)C[C@H](O)CC#N 931080776 631120020 /nfs/dbraw/zinc/12/00/20/631120020.db2.gz FWWPNHQXMGRTAF-NXEZZACHSA-N 1 1 196.294 1.239 10 30 ADEEMO C=C1C[C@@H]2CC[C@H](C1)[N@H+]2[C@@H](CC)CO 931062658 631120404 /nfs/dbraw/zinc/12/04/04/631120404.db2.gz LASDANRBKSDVRW-SDDRHHMPSA-N 1 1 195.306 1.940 10 30 ADEEMO C=CC[C@H]1CC[N@H+](CC[N+](=O)[O-])C1 931164233 631120501 /nfs/dbraw/zinc/12/05/01/631120501.db2.gz UBLMCCSMQIRVDU-VIFPVBQESA-N 1 1 184.239 1.161 10 30 ADEEMO C=C(C)C[N@H+]1CCNC(=O)CC1(C)C 931200788 631120626 /nfs/dbraw/zinc/12/06/26/631120626.db2.gz BITXZUDQOVJAHQ-UHFFFAOYSA-N 1 1 196.294 1.163 10 30 ADEEMO C=CCC[N@@H+]1CCNC(=O)CC1(C)C 931202747 631120861 /nfs/dbraw/zinc/12/08/61/631120861.db2.gz JCIQUKHYPZVJHZ-UHFFFAOYSA-N 1 1 196.294 1.163 10 30 ADEEMO C=C1C[C@@H]2CC[C@H](C1)[N@H+]2CC[N+](=O)[O-] 931063764 631120976 /nfs/dbraw/zinc/12/09/76/631120976.db2.gz UHJOQYKIQBFUSI-AOOOYVTPSA-N 1 1 196.250 1.446 10 30 ADEEMO C[N@@H+](C[C@H](O)CC#N)C[C@@H]1CC1(C)C 931080777 631121225 /nfs/dbraw/zinc/12/12/25/631121225.db2.gz FWWPNHQXMGRTAF-VHSXEESVSA-N 1 1 196.294 1.239 10 30 ADEEMO C=CCCN1CCC(C)([NH+](C)C)CC1 931351514 631122179 /nfs/dbraw/zinc/12/21/79/631122179.db2.gz PKKULYXUVKPYOR-UHFFFAOYSA-N 1 1 196.338 1.979 10 30 ADEEMO C=CCN1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 931304928 631122273 /nfs/dbraw/zinc/12/22/73/631122273.db2.gz SBQGVQXNQLOEAU-TXEJJXNPSA-N 1 1 194.322 1.446 10 30 ADEEMO C=CC[N@@H+]1C[C@]2(C)CN(C)C[C@]2(C)C1 931304928 631122275 /nfs/dbraw/zinc/12/22/75/631122275.db2.gz SBQGVQXNQLOEAU-TXEJJXNPSA-N 1 1 194.322 1.446 10 30 ADEEMO C=CC[N@H+]1C[C@]2(C)CN(C)C[C@]2(C)C1 931304928 631122278 /nfs/dbraw/zinc/12/22/78/631122278.db2.gz SBQGVQXNQLOEAU-TXEJJXNPSA-N 1 1 194.322 1.446 10 30 ADEEMO N#CCCCN1CCn2cc[nH+]c21 931518330 631123795 /nfs/dbraw/zinc/12/37/95/631123795.db2.gz FJYHIUFKJQKISG-UHFFFAOYSA-N 1 1 176.223 1.007 10 30 ADEEMO C=C(C)C[N@@H+]1C[C@H]2[C@H](N(C)C)[C@H]2C1 931276106 631122462 /nfs/dbraw/zinc/12/24/62/631122462.db2.gz GZNDUNPKLVLJTN-URLYPYJESA-N 1 1 180.295 1.054 10 30 ADEEMO C=C(CC)C[N@H+]1C[C@H]2[C@H](N(C)C)[C@H]2C1 931278402 631122591 /nfs/dbraw/zinc/12/25/91/631122591.db2.gz BPWXPBYSMXARSB-GDNZZTSVSA-N 1 1 194.322 1.444 10 30 ADEEMO C=CC[NH+]1C[C@]2(C)CN(C)C[C@@]2(C)C1 931304927 631122643 /nfs/dbraw/zinc/12/26/43/631122643.db2.gz SBQGVQXNQLOEAU-RYUDHWBXSA-N 1 1 194.322 1.446 10 30 ADEEMO C=CC[NH+]1C[C@@]2(C)CN(C)C[C@]2(C)C1 931304929 631122994 /nfs/dbraw/zinc/12/29/94/631122994.db2.gz SBQGVQXNQLOEAU-VXGBXAGGSA-N 1 1 194.322 1.446 10 30 ADEEMO C=CCC[N@H+]1Cc2c[nH]nc2[C@@H](C)C1 931459634 631123577 /nfs/dbraw/zinc/12/35/77/631123577.db2.gz QRZDCTAHEXRINL-VIFPVBQESA-N 1 1 191.278 1.905 10 30 ADEEMO C=CC[C@@H](C)N1CCn2cc[nH+]c21 931517960 631123630 /nfs/dbraw/zinc/12/36/30/631123630.db2.gz KFFBOQFGBMTZQE-SECBINFHSA-N 1 1 177.251 1.668 10 30 ADEEMO C#CCC[N@H+]1Cc2c[nH]nc2[C@@H](C)C1 931459879 631123657 /nfs/dbraw/zinc/12/36/57/631123657.db2.gz BQGFNNNZFRCLLP-VIFPVBQESA-N 1 1 189.262 1.352 10 30 ADEEMO C=C(C)C[N@H+]1Cc2c[nH]nc2[C@H](C)C1 931456417 631123751 /nfs/dbraw/zinc/12/37/51/631123751.db2.gz UXEIQLRKTZBOSI-SECBINFHSA-N 1 1 191.278 1.905 10 30 ADEEMO CC#CC[N@H+]1Cc2c[nH]nc2[C@H](C)C1 931460554 631123856 /nfs/dbraw/zinc/12/38/56/631123856.db2.gz ZDTPCXZNMQYETC-SECBINFHSA-N 1 1 189.262 1.352 10 30 ADEEMO CC#CC[N@@H+]1Cc2c[nH]nc2[C@H](C)C1 931460554 631123860 /nfs/dbraw/zinc/12/38/60/631123860.db2.gz ZDTPCXZNMQYETC-SECBINFHSA-N 1 1 189.262 1.352 10 30 ADEEMO C=CCC[N@H+]1Cc2c[nH]nc2[C@H](C)C1 931459633 631123885 /nfs/dbraw/zinc/12/38/85/631123885.db2.gz QRZDCTAHEXRINL-SECBINFHSA-N 1 1 191.278 1.905 10 30 ADEEMO C=CC[N@H+]1Cc2c[nH]nc2[C@H](C)C1 931452632 631124041 /nfs/dbraw/zinc/12/40/41/631124041.db2.gz CCAIIQMPCGAEFB-MRVPVSSYSA-N 1 1 177.251 1.515 10 30 ADEEMO C=CC[C@H](C)N1CCn2cc[nH+]c21 931517963 631124119 /nfs/dbraw/zinc/12/41/19/631124119.db2.gz KFFBOQFGBMTZQE-VIFPVBQESA-N 1 1 177.251 1.668 10 30 ADEEMO CC#CC[N@H+]1Cc2c[nH]nc2[C@@H](C)C1 931460555 631124392 /nfs/dbraw/zinc/12/43/92/631124392.db2.gz ZDTPCXZNMQYETC-VIFPVBQESA-N 1 1 189.262 1.352 10 30 ADEEMO CC#CC[N@@H+]1Cc2c[nH]nc2[C@@H](C)C1 931460555 631124394 /nfs/dbraw/zinc/12/43/94/631124394.db2.gz ZDTPCXZNMQYETC-VIFPVBQESA-N 1 1 189.262 1.352 10 30 ADEEMO C=C(C)CCN1CCn2cc[nH+]c21 931519561 631124462 /nfs/dbraw/zinc/12/44/62/631124462.db2.gz DSVHKCLTTGZRCX-UHFFFAOYSA-N 1 1 177.251 1.669 10 30 ADEEMO C=C(C)C[N@H+]1Cc2c[nH]nc2[C@@H](C)C1 931456424 631124591 /nfs/dbraw/zinc/12/45/91/631124591.db2.gz UXEIQLRKTZBOSI-VIFPVBQESA-N 1 1 191.278 1.905 10 30 ADEEMO C#CCCCN1CCn2cc[nH+]c21 931518952 631124681 /nfs/dbraw/zinc/12/46/81/631124681.db2.gz APJRTUVUEYLIAZ-UHFFFAOYSA-N 1 1 175.235 1.117 10 30 ADEEMO C#CCC[N@H+]1Cc2c[nH]nc2[C@H](C)C1 931459876 631124935 /nfs/dbraw/zinc/12/49/35/631124935.db2.gz BQGFNNNZFRCLLP-SECBINFHSA-N 1 1 189.262 1.352 10 30 ADEEMO C=CC[N@H+]1Cc2c[nH]nc2[C@@H](C)C1 931452633 631125120 /nfs/dbraw/zinc/12/51/20/631125120.db2.gz CCAIIQMPCGAEFB-QMMMGPOBSA-N 1 1 177.251 1.515 10 30 ADEEMO CCC#C[C@H](C)N1CCn2cc[nH+]c21 931521293 631126491 /nfs/dbraw/zinc/12/64/91/631126491.db2.gz DTAIFGASWUJOMR-JTQLQIEISA-N 1 1 189.262 1.505 10 30 ADEEMO C=CCC[N@H+]1[C@H]2CC[C@@H]1CN(C)CC2 931718651 631126579 /nfs/dbraw/zinc/12/65/79/631126579.db2.gz BFZDOUGZSPHGAN-NWDGAFQWSA-N 1 1 194.322 1.731 10 30 ADEEMO CCC#C[C@@H](C)N1CCn2cc[nH+]c21 931521294 631126741 /nfs/dbraw/zinc/12/67/41/631126741.db2.gz DTAIFGASWUJOMR-SNVBAGLBSA-N 1 1 189.262 1.505 10 30 ADEEMO C#CC[N@H+](CC#CC)C(C)(C)C 932463044 631134064 /nfs/dbraw/zinc/13/40/64/631134064.db2.gz FMGOFOJOYMNJLU-UHFFFAOYSA-N 1 1 163.264 1.743 10 30 ADEEMO C#CC[N@@H+](C[C@H]1CCO[C@@H]1C)C(C)C 932382849 631130286 /nfs/dbraw/zinc/13/02/86/631130286.db2.gz CBLQDRBEJQEPNP-VXGBXAGGSA-N 1 1 195.306 1.755 10 30 ADEEMO C#CC[C@@H]1CC[N@@H+](CCOC2CC2)C1 931715581 631127089 /nfs/dbraw/zinc/12/70/89/631127089.db2.gz YGODZQAQIXMGDU-LLVKDONJSA-N 1 1 193.290 1.511 10 30 ADEEMO C#CC[C@H]1CC[N@H+]([C@H](CC)CO)C1 931714999 631127285 /nfs/dbraw/zinc/12/72/85/631127285.db2.gz NGQTWSXLSSBJCO-WDEREUQCSA-N 1 1 181.279 1.103 10 30 ADEEMO C#CC[C@@H]1CC[N@H+]([C@@H](CC)CO)C1 931714997 631127305 /nfs/dbraw/zinc/12/73/05/631127305.db2.gz NGQTWSXLSSBJCO-MNOVXSKESA-N 1 1 181.279 1.103 10 30 ADEEMO C#CC[C@H]1CC[N@@H+](CCOC2CC2)C1 931715582 631127358 /nfs/dbraw/zinc/12/73/58/631127358.db2.gz YGODZQAQIXMGDU-NSHDSACASA-N 1 1 193.290 1.511 10 30 ADEEMO CC#CCN1[C@H]2CC[C@@H]1CC[N@H+](C)C2 931719808 631127650 /nfs/dbraw/zinc/12/76/50/631127650.db2.gz FKBWNCFDDHYBNK-NEPJUHHUSA-N 1 1 192.306 1.178 10 30 ADEEMO CC#CC[N@H+]1[C@H]2CC[C@@H]1CCN(C)C2 931719808 631127654 /nfs/dbraw/zinc/12/76/54/631127654.db2.gz FKBWNCFDDHYBNK-NEPJUHHUSA-N 1 1 192.306 1.178 10 30 ADEEMO CC#CC[N@@H+]1[C@H]2CC[C@@H]1CCN(C)C2 931719808 631127657 /nfs/dbraw/zinc/12/76/57/631127657.db2.gz FKBWNCFDDHYBNK-NEPJUHHUSA-N 1 1 192.306 1.178 10 30 ADEEMO C#CC[C@H]1CC[N@H+]([C@@H](CC)CO)C1 931714998 631127770 /nfs/dbraw/zinc/12/77/70/631127770.db2.gz NGQTWSXLSSBJCO-QWRGUYRKSA-N 1 1 181.279 1.103 10 30 ADEEMO C#CC[C@@H]1CC[N@H+]([C@H](CC)CO)C1 931714995 631127948 /nfs/dbraw/zinc/12/79/48/631127948.db2.gz NGQTWSXLSSBJCO-GHMZBOCLSA-N 1 1 181.279 1.103 10 30 ADEEMO C=CC[N@@H+]1CC[C@H](c2noc(C)n2)C1 931947865 631128709 /nfs/dbraw/zinc/12/87/09/631128709.db2.gz DLJAPUCNBIRWLV-VIFPVBQESA-N 1 1 193.250 1.353 10 30 ADEEMO C=C(C)[C@@H](CO)[N@@H+]1CCC[C@H](C#N)C1 932149762 631128770 /nfs/dbraw/zinc/12/87/70/631128770.db2.gz AYFRPOLCVIDMEO-GHMZBOCLSA-N 1 1 194.278 1.159 10 30 ADEEMO C=C(C)[C@@H](CO)[N@H+]1CCC[C@H](C#N)C1 932149762 631128772 /nfs/dbraw/zinc/12/87/72/631128772.db2.gz AYFRPOLCVIDMEO-GHMZBOCLSA-N 1 1 194.278 1.159 10 30 ADEEMO C=C(C)[C@H](CO)[N@@H+]1CCC[C@@H](C#N)C1 932149765 631128880 /nfs/dbraw/zinc/12/88/80/631128880.db2.gz AYFRPOLCVIDMEO-QWRGUYRKSA-N 1 1 194.278 1.159 10 30 ADEEMO C=C(C)[C@H](CO)[N@H+]1CCC[C@@H](C#N)C1 932149765 631128883 /nfs/dbraw/zinc/12/88/83/631128883.db2.gz AYFRPOLCVIDMEO-QWRGUYRKSA-N 1 1 194.278 1.159 10 30 ADEEMO C=C(C)[C@@H](CO)[N@@H+]1CCO[C@H](C)CC1 932346498 631131285 /nfs/dbraw/zinc/13/12/85/631131285.db2.gz IZKDSFVMJXCSMO-GHMZBOCLSA-N 1 1 199.294 1.034 10 30 ADEEMO C#CC[N@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 931932063 631129416 /nfs/dbraw/zinc/12/94/16/631129416.db2.gz UWPFJBXQPCDMAW-KGLIPLIRSA-N 1 1 197.281 1.893 10 30 ADEEMO C=C(C)[C@H](CO)[N@@H+]1CCC[C@H](C#N)C1 932149764 631129424 /nfs/dbraw/zinc/12/94/24/631129424.db2.gz AYFRPOLCVIDMEO-MNOVXSKESA-N 1 1 194.278 1.159 10 30 ADEEMO C=C(C)[C@H](CO)[N@H+]1CCC[C@H](C#N)C1 932149764 631129425 /nfs/dbraw/zinc/12/94/25/631129425.db2.gz AYFRPOLCVIDMEO-MNOVXSKESA-N 1 1 194.278 1.159 10 30 ADEEMO C=CC[N@H+]1C[C@@H](C)[C@H](CC(=O)OC)C1 932108377 631129476 /nfs/dbraw/zinc/12/94/76/631129476.db2.gz ARKYKJLOXJAKPH-NXEZZACHSA-N 1 1 197.278 1.303 10 30 ADEEMO C#CC[N@@H+](C[C@@H]1CCO[C@@H]1C)C(C)C 932382845 631131568 /nfs/dbraw/zinc/13/15/68/631131568.db2.gz CBLQDRBEJQEPNP-NEPJUHHUSA-N 1 1 195.306 1.755 10 30 ADEEMO C=CC[N@@H+]1CC[C@@H](c2noc(C)n2)C1 931947856 631129671 /nfs/dbraw/zinc/12/96/71/631129671.db2.gz DLJAPUCNBIRWLV-SECBINFHSA-N 1 1 193.250 1.353 10 30 ADEEMO C#CC[N@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 931932064 631129715 /nfs/dbraw/zinc/12/97/15/631129715.db2.gz UWPFJBXQPCDMAW-UONOGXRCSA-N 1 1 197.281 1.893 10 30 ADEEMO C=C(C)[C@@H](CO)[N@@H+]1CCC[C@@H](C#N)C1 932149767 631129795 /nfs/dbraw/zinc/12/97/95/631129795.db2.gz AYFRPOLCVIDMEO-WDEREUQCSA-N 1 1 194.278 1.159 10 30 ADEEMO C=C(C)[C@@H](CO)[N@H+]1CCC[C@@H](C#N)C1 932149767 631129798 /nfs/dbraw/zinc/12/97/98/631129798.db2.gz AYFRPOLCVIDMEO-WDEREUQCSA-N 1 1 194.278 1.159 10 30 ADEEMO C=CCOCC[N@H+]1CCO[C@@H](C)CC1 932342102 631131601 /nfs/dbraw/zinc/13/16/01/631131601.db2.gz NHCRIFZIQCECNM-NSHDSACASA-N 1 1 199.294 1.300 10 30 ADEEMO C=C(Cl)C[N@@H+]1CCO[C@H](C)CC1 932337138 631130238 /nfs/dbraw/zinc/13/02/38/631130238.db2.gz OERLYKZCVDQFHS-SECBINFHSA-N 1 1 189.686 1.850 10 30 ADEEMO C=C(Cl)C[N@H+]1CCO[C@H](C)CC1 932337138 631130239 /nfs/dbraw/zinc/13/02/39/631130239.db2.gz OERLYKZCVDQFHS-SECBINFHSA-N 1 1 189.686 1.850 10 30 ADEEMO CC#CCC[N@H+]1CCO[C@@H](C)CC1 932339266 631130485 /nfs/dbraw/zinc/13/04/85/631130485.db2.gz RETQFBPBFVWIFO-NSHDSACASA-N 1 1 181.279 1.511 10 30 ADEEMO C=CC[NH2+][C@H](c1ncccn1)C1CC1 932359166 631130581 /nfs/dbraw/zinc/13/05/81/631130581.db2.gz AIFRYPCQCYAZLJ-JTQLQIEISA-N 1 1 189.262 1.703 10 30 ADEEMO CC#CC[N@H+]1CCO[C@@H](C)CC1 932346132 631130617 /nfs/dbraw/zinc/13/06/17/631130617.db2.gz FOMOLWYMLXKBMI-JTQLQIEISA-N 1 1 167.252 1.121 10 30 ADEEMO C#CC[N@H+](C[C@H]1C[C@@H](OC)C1)C(C)C 932384579 631130648 /nfs/dbraw/zinc/13/06/48/631130648.db2.gz VDUIKPMLUFTGOS-TXEJJXNPSA-N 1 1 195.306 1.755 10 30 ADEEMO C=C(C)C[N@H+]1CCO[C@@H](C)CC1 932334578 631130674 /nfs/dbraw/zinc/13/06/74/631130674.db2.gz BWKABIZCLYKSNX-JTQLQIEISA-N 1 1 169.268 1.673 10 30 ADEEMO C#CC[N@H+]1CCC[C@H]1c1ccnn1C 932272392 631130767 /nfs/dbraw/zinc/13/07/67/631130767.db2.gz IGTLESJEYQDJDJ-NSHDSACASA-N 1 1 189.262 1.190 10 30 ADEEMO C#CC[N@@H+]1CCC[C@H]1c1ccnn1C 932272392 631130769 /nfs/dbraw/zinc/13/07/69/631130769.db2.gz IGTLESJEYQDJDJ-NSHDSACASA-N 1 1 189.262 1.190 10 30 ADEEMO C#CC[N@H+](C/C=C(\C)COC)C(C)C 932383096 631130829 /nfs/dbraw/zinc/13/08/29/631130829.db2.gz DJQJHWVEMFLZOX-KPKJPENVSA-N 1 1 195.306 1.923 10 30 ADEEMO C#CC[N@H+](Cc1ocnc1C)C(C)C 932383541 631130941 /nfs/dbraw/zinc/13/09/41/631130941.db2.gz HSGYWJPEKHIYFG-UHFFFAOYSA-N 1 1 192.262 1.827 10 30 ADEEMO C#CC[N@@H+](Cc1ocnc1C)C(C)C 932383541 631130945 /nfs/dbraw/zinc/13/09/45/631130945.db2.gz HSGYWJPEKHIYFG-UHFFFAOYSA-N 1 1 192.262 1.827 10 30 ADEEMO CC#CCC[N@H+]1CCO[C@H](C)CC1 932339265 631131064 /nfs/dbraw/zinc/13/10/64/631131064.db2.gz RETQFBPBFVWIFO-LLVKDONJSA-N 1 1 181.279 1.511 10 30 ADEEMO C#CC[N@H+](CC[C@@H](O)C(C)C)C(C)C 932384617 631131089 /nfs/dbraw/zinc/13/10/89/631131089.db2.gz WCGGAKBOCNTUQT-GFCCVEGCSA-N 1 1 197.322 1.737 10 30 ADEEMO C#CC[N@H+](CCC#CC)C(C)C 932387191 631131131 /nfs/dbraw/zinc/13/11/31/631131131.db2.gz AZLHGRSBQDFDOK-UHFFFAOYSA-N 1 1 163.264 1.743 10 30 ADEEMO C#CC[N@H+](CCN(C#N)CC)C(C)C 932383651 631131209 /nfs/dbraw/zinc/13/12/09/631131209.db2.gz KCBBOJDDZNSYTN-UHFFFAOYSA-N 1 1 193.294 1.133 10 30 ADEEMO C=C(C)[C@@H](CO)[N@@H+]1CCO[C@@H](C)CC1 932346501 631131246 /nfs/dbraw/zinc/13/12/46/631131246.db2.gz IZKDSFVMJXCSMO-WDEREUQCSA-N 1 1 199.294 1.034 10 30 ADEEMO C#CC[N@H+](C[C@H](CC)OC)C(C)C 932382811 631131275 /nfs/dbraw/zinc/13/12/75/631131275.db2.gz BXIOZRYUBKIHGA-NSHDSACASA-N 1 1 183.295 1.755 10 30 ADEEMO C#CC[N@H+](Cc1cnc(C)o1)C(C)C 932384395 631131345 /nfs/dbraw/zinc/13/13/45/631131345.db2.gz RFKRBOZWHHIQHJ-UHFFFAOYSA-N 1 1 192.262 1.827 10 30 ADEEMO C#CC[N@@H+](Cc1cnc(C)o1)C(C)C 932384395 631131348 /nfs/dbraw/zinc/13/13/48/631131348.db2.gz RFKRBOZWHHIQHJ-UHFFFAOYSA-N 1 1 192.262 1.827 10 30 ADEEMO C#CC[N@H+](CC1CC(OC)C1)C(C)C 932384580 631131400 /nfs/dbraw/zinc/13/14/00/631131400.db2.gz VDUIKPMLUFTGOS-UHFFFAOYSA-N 1 1 195.306 1.755 10 30 ADEEMO C#CC[N@@H+](C[C@H]1CCO[C@H]1C)C(C)C 932382847 631131474 /nfs/dbraw/zinc/13/14/74/631131474.db2.gz CBLQDRBEJQEPNP-NWDGAFQWSA-N 1 1 195.306 1.755 10 30 ADEEMO C#CC[N@H+](C/C=C(/C)COC)C(C)C 932383095 631131487 /nfs/dbraw/zinc/13/14/87/631131487.db2.gz DJQJHWVEMFLZOX-GHXNOFRVSA-N 1 1 195.306 1.923 10 30 ADEEMO C#CC[N@H+](CC[C@H](O)C(C)C)C(C)C 932384618 631131517 /nfs/dbraw/zinc/13/15/17/631131517.db2.gz WCGGAKBOCNTUQT-LBPRGKRZSA-N 1 1 197.322 1.737 10 30 ADEEMO C#CC[N@H+](Cc1cncs1)C(C)C 932384582 631131525 /nfs/dbraw/zinc/13/15/25/631131525.db2.gz VFTUTKXFPNRPHS-UHFFFAOYSA-N 1 1 194.303 1.987 10 30 ADEEMO C#CC[N@@H+](Cc1cncs1)C(C)C 932384582 631131527 /nfs/dbraw/zinc/13/15/27/631131527.db2.gz VFTUTKXFPNRPHS-UHFFFAOYSA-N 1 1 194.303 1.987 10 30 ADEEMO C=CC[N@H+]1CCO[C@@H](C)CC1 932346816 631131653 /nfs/dbraw/zinc/13/16/53/631131653.db2.gz XNHYNFWHTZURAH-VIFPVBQESA-N 1 1 155.241 1.283 10 30 ADEEMO C=CC[NH2+][C@@H](c1ncccn1)C1CC1 932359167 631131697 /nfs/dbraw/zinc/13/16/97/631131697.db2.gz AIFRYPCQCYAZLJ-SNVBAGLBSA-N 1 1 189.262 1.703 10 30 ADEEMO CC#CC[N@H+]1CCO[C@H](C)CC1 932346133 631131747 /nfs/dbraw/zinc/13/17/47/631131747.db2.gz FOMOLWYMLXKBMI-SNVBAGLBSA-N 1 1 167.252 1.121 10 30 ADEEMO C#CC[N@@H+](C[C@@H]1CCO[C@H]1C)C(C)C 932382848 631131810 /nfs/dbraw/zinc/13/18/10/631131810.db2.gz CBLQDRBEJQEPNP-RYUDHWBXSA-N 1 1 195.306 1.755 10 30 ADEEMO C=C(Cl)C[N@@H+]1CCO[C@@H](C)CC1 932337139 631131831 /nfs/dbraw/zinc/13/18/31/631131831.db2.gz OERLYKZCVDQFHS-VIFPVBQESA-N 1 1 189.686 1.850 10 30 ADEEMO C=C(Cl)C[N@H+]1CCO[C@@H](C)CC1 932337139 631131834 /nfs/dbraw/zinc/13/18/34/631131834.db2.gz OERLYKZCVDQFHS-VIFPVBQESA-N 1 1 189.686 1.850 10 30 ADEEMO C#CC[N@H+](CCOC(F)F)C(C)C 932382874 631131905 /nfs/dbraw/zinc/13/19/05/631131905.db2.gz CVXCRJAZMLUUHV-UHFFFAOYSA-N 1 1 191.221 1.569 10 30 ADEEMO C=C(C)C[N@H+]1CCO[C@H](C)CC1 932334580 631131910 /nfs/dbraw/zinc/13/19/10/631131910.db2.gz BWKABIZCLYKSNX-SNVBAGLBSA-N 1 1 169.268 1.673 10 30 ADEEMO C#CC[N@@H+](C[C@@H]1CCCOC1)C(C)C 932389660 631131998 /nfs/dbraw/zinc/13/19/98/631131998.db2.gz AXLVSLYXLOWDLL-LBPRGKRZSA-N 1 1 195.306 1.757 10 30 ADEEMO C=C(C)[C@H](CO)[N@@H+]1CCO[C@H](C)CC1 932346499 631132027 /nfs/dbraw/zinc/13/20/27/631132027.db2.gz IZKDSFVMJXCSMO-MNOVXSKESA-N 1 1 199.294 1.034 10 30 ADEEMO C#CC[N@H+](C[C@@H](CC)OC)C(C)C 932382810 631132041 /nfs/dbraw/zinc/13/20/41/631132041.db2.gz BXIOZRYUBKIHGA-LLVKDONJSA-N 1 1 183.295 1.755 10 30 ADEEMO C=CCOCC[N@H+]1CCO[C@H](C)CC1 932342101 631132047 /nfs/dbraw/zinc/13/20/47/631132047.db2.gz NHCRIFZIQCECNM-LLVKDONJSA-N 1 1 199.294 1.300 10 30 ADEEMO C=CC[N@H+]1CCO[C@H](C)CC1 932346815 631132057 /nfs/dbraw/zinc/13/20/57/631132057.db2.gz XNHYNFWHTZURAH-SECBINFHSA-N 1 1 155.241 1.283 10 30 ADEEMO C#CC[N@H+]1CCC[C@@H]1c1ccnn1C 932272390 631132060 /nfs/dbraw/zinc/13/20/60/631132060.db2.gz IGTLESJEYQDJDJ-LLVKDONJSA-N 1 1 189.262 1.190 10 30 ADEEMO C#CC[N@@H+]1CCC[C@@H]1c1ccnn1C 932272390 631132062 /nfs/dbraw/zinc/13/20/62/631132062.db2.gz IGTLESJEYQDJDJ-LLVKDONJSA-N 1 1 189.262 1.190 10 30 ADEEMO C=C(C)[C@H](CO)[N@@H+]1CCO[C@@H](C)CC1 932346500 631132151 /nfs/dbraw/zinc/13/21/51/631132151.db2.gz IZKDSFVMJXCSMO-QWRGUYRKSA-N 1 1 199.294 1.034 10 30 ADEEMO C#CC[N@H+](Cc1c[nH]cn1)C(C)(C)C 932460179 631132443 /nfs/dbraw/zinc/13/24/43/631132443.db2.gz GGQNGWHYXYUNRZ-UHFFFAOYSA-N 1 1 191.278 1.643 10 30 ADEEMO C#CC[N@@H+](Cc1c[nH]cn1)C(C)(C)C 932460179 631132446 /nfs/dbraw/zinc/13/24/46/631132446.db2.gz GGQNGWHYXYUNRZ-UHFFFAOYSA-N 1 1 191.278 1.643 10 30 ADEEMO C#CC[N@H+](Cc1cnc[nH]1)C(C)(C)C 932460179 631132447 /nfs/dbraw/zinc/13/24/47/631132447.db2.gz GGQNGWHYXYUNRZ-UHFFFAOYSA-N 1 1 191.278 1.643 10 30 ADEEMO C#CC[N@@H+](Cc1cnc[nH]1)C(C)(C)C 932460179 631132449 /nfs/dbraw/zinc/13/24/49/631132449.db2.gz GGQNGWHYXYUNRZ-UHFFFAOYSA-N 1 1 191.278 1.643 10 30 ADEEMO C#CC[N@H+](CCC(C)(C)O)C(C)(C)C 932462245 631132463 /nfs/dbraw/zinc/13/24/63/631132463.db2.gz SGYBKRFHGPPTEA-UHFFFAOYSA-N 1 1 197.322 1.881 10 30 ADEEMO C#CC[N@H+](C[C@@H](O)C(C)C)C(C)(C)C 932461791 631132553 /nfs/dbraw/zinc/13/25/53/631132553.db2.gz IJJDAHSKPFNLOV-LLVKDONJSA-N 1 1 197.322 1.737 10 30 ADEEMO C#CC[N@@H+](Cc1cn[nH]c1)C(C)(C)C 932463819 631132596 /nfs/dbraw/zinc/13/25/96/631132596.db2.gz ORSWUMKUSNSIJF-UHFFFAOYSA-N 1 1 191.278 1.643 10 30 ADEEMO C#CC[N@H+](C[C@H](O)CC)C(C)(C)C 932461534 631132635 /nfs/dbraw/zinc/13/26/35/631132635.db2.gz FUFRHYKMWSHBJW-SNVBAGLBSA-N 1 1 183.295 1.491 10 30 ADEEMO C#CC[N@H+](CCC(OC)OC)C(C)C 932388204 631132576 /nfs/dbraw/zinc/13/25/76/631132576.db2.gz YCOFVNMMVPHDSJ-UHFFFAOYSA-N 1 1 199.294 1.339 10 30 ADEEMO C#CC[N@H+](CCOCC=C)C(C)(C)C 932461851 631132581 /nfs/dbraw/zinc/13/25/81/631132581.db2.gz KEFYIMSORABYDM-UHFFFAOYSA-N 1 1 195.306 1.923 10 30 ADEEMO C#CC[N@H+](CCOC1CC1)C(C)(C)C 932462052 631132644 /nfs/dbraw/zinc/13/26/44/631132644.db2.gz YPLHRBATFZYVEE-UHFFFAOYSA-N 1 1 195.306 1.899 10 30 ADEEMO C#CC[N@H+](C[C@@H](O)CC)C(C)(C)C 932461533 631132664 /nfs/dbraw/zinc/13/26/64/631132664.db2.gz FUFRHYKMWSHBJW-JTQLQIEISA-N 1 1 183.295 1.491 10 30 ADEEMO C=C(C)CC[N@H+](CC)CCC(N)=O 932479306 631132681 /nfs/dbraw/zinc/13/26/81/631132681.db2.gz SPRVPIPEQIUVDK-UHFFFAOYSA-N 1 1 184.283 1.150 10 30 ADEEMO C#CC[N@H+](CCOCC=C)C(C)C 932387372 631132688 /nfs/dbraw/zinc/13/26/88/631132688.db2.gz HSQUCUNXGGJBJZ-UHFFFAOYSA-N 1 1 181.279 1.533 10 30 ADEEMO C#CC[N@H+](Cc1ccno1)C(C)(C)C 932463439 631132692 /nfs/dbraw/zinc/13/26/92/631132692.db2.gz IIKBQEDGFWVOEG-UHFFFAOYSA-N 1 1 192.262 1.908 10 30 ADEEMO C#CC[N@@H+](Cc1ccno1)C(C)(C)C 932463439 631132693 /nfs/dbraw/zinc/13/26/93/631132693.db2.gz IIKBQEDGFWVOEG-UHFFFAOYSA-N 1 1 192.262 1.908 10 30 ADEEMO C#CC[N@H+](Cc1cc[nH]n1)C(C)(C)C 932463900 631132759 /nfs/dbraw/zinc/13/27/59/631132759.db2.gz QAVLAEMUTDFSIX-UHFFFAOYSA-N 1 1 191.278 1.643 10 30 ADEEMO C#CC[N@@H+](Cc1cc[nH]n1)C(C)(C)C 932463900 631132760 /nfs/dbraw/zinc/13/27/60/631132760.db2.gz QAVLAEMUTDFSIX-UHFFFAOYSA-N 1 1 191.278 1.643 10 30 ADEEMO C#CC[N@@H+](C[C@H](O)C1CC1)C(C)(C)C 932462207 631132785 /nfs/dbraw/zinc/13/27/85/631132785.db2.gz RDFKAFCBGFTPPX-NSHDSACASA-N 1 1 195.306 1.491 10 30 ADEEMO C#CC[N@H+](CCC(=O)C(C)C)C(C)C 932387268 631132854 /nfs/dbraw/zinc/13/28/54/631132854.db2.gz DUEYUXMODPBPEU-UHFFFAOYSA-N 1 1 195.306 1.945 10 30 ADEEMO C#CC[N@H+](CC(OC)OC)C(C)(C)C 932463336 631132886 /nfs/dbraw/zinc/13/28/86/631132886.db2.gz HDVOFTVYHBUQAW-UHFFFAOYSA-N 1 1 199.294 1.339 10 30 ADEEMO C#CC[N@@H+](C[C@H]1CCCO1)C(C)(C)C 932465819 631132902 /nfs/dbraw/zinc/13/29/02/631132902.db2.gz NBFYKGAMJSFOMU-LLVKDONJSA-N 1 1 195.306 1.899 10 30 ADEEMO C#CC[N@H+](C[C@H](O)C(C)C)C(C)(C)C 932461792 631132909 /nfs/dbraw/zinc/13/29/09/631132909.db2.gz IJJDAHSKPFNLOV-NSHDSACASA-N 1 1 197.322 1.737 10 30 ADEEMO C#CC[N@H+](CCCOC)C(C)(C)C 932464314 631132981 /nfs/dbraw/zinc/13/29/81/631132981.db2.gz XIULXCNZEJUYHL-UHFFFAOYSA-N 1 1 183.295 1.757 10 30 ADEEMO C#CC[N@@H+](C[C@H]1CCCOC1)C(C)C 932389659 631133011 /nfs/dbraw/zinc/13/30/11/631133011.db2.gz AXLVSLYXLOWDLL-GFCCVEGCSA-N 1 1 195.306 1.757 10 30 ADEEMO C#CC[N@@H+](C[C@@H]1CCOC1)C(C)(C)C 932463733 631133056 /nfs/dbraw/zinc/13/30/56/631133056.db2.gz NAAIHPMOIQGZSN-NSHDSACASA-N 1 1 195.306 1.757 10 30 ADEEMO C#CC[N@H+](CCOCC)C(C)(C)C 932464179 631133186 /nfs/dbraw/zinc/13/31/86/631133186.db2.gz ULTRNRDTPHMTAW-UHFFFAOYSA-N 1 1 183.295 1.757 10 30 ADEEMO C=CCCCC[N@H+](CC)CCC(N)=O 932479664 631133223 /nfs/dbraw/zinc/13/32/23/631133223.db2.gz ISNIOEYBHDBYGL-UHFFFAOYSA-N 1 1 198.310 1.540 10 30 ADEEMO C#CC[N@H+](CC[C@@H](C)O)C(C)(C)C 932461768 631133235 /nfs/dbraw/zinc/13/32/35/631133235.db2.gz HWYYCTNLVWUDHX-SNVBAGLBSA-N 1 1 183.295 1.491 10 30 ADEEMO C#CC[N@H+](CCOC)C(C)(C)C 932464001 631133290 /nfs/dbraw/zinc/13/32/90/631133290.db2.gz RWOHRQCTTMTXIP-UHFFFAOYSA-N 1 1 169.268 1.367 10 30 ADEEMO C#CC[N@H+](CCC[C@H](C)O)C(C)(C)C 932462432 631133356 /nfs/dbraw/zinc/13/33/56/631133356.db2.gz YXBWSDJHWLFCPC-NSHDSACASA-N 1 1 197.322 1.881 10 30 ADEEMO C#CC[N@@H+](C[C@@H](O)C1CC1)C(C)(C)C 932462206 631133375 /nfs/dbraw/zinc/13/33/75/631133375.db2.gz RDFKAFCBGFTPPX-LLVKDONJSA-N 1 1 195.306 1.491 10 30 ADEEMO C#CC[N@H+](C[C@@H](O)CCC)C(C)(C)C 932461532 631133444 /nfs/dbraw/zinc/13/34/44/631133444.db2.gz FLDPVFNCBZAFCN-NSHDSACASA-N 1 1 197.322 1.881 10 30 ADEEMO C#CC[N@@H+](CCC#N)C(C)(C)C 932465888 631133541 /nfs/dbraw/zinc/13/35/41/631133541.db2.gz PBJNUZBXNQIICA-UHFFFAOYSA-N 1 1 164.252 1.634 10 30 ADEEMO C#CC[N@H+](CCC#N)C(C)(C)C 932465888 631133545 /nfs/dbraw/zinc/13/35/45/631133545.db2.gz PBJNUZBXNQIICA-UHFFFAOYSA-N 1 1 164.252 1.634 10 30 ADEEMO C#CC[N@H+](CC#CCOC)C(C)(C)C 932464385 631133612 /nfs/dbraw/zinc/13/36/12/631133612.db2.gz YMNFZOZUENNYSE-UHFFFAOYSA-N 1 1 193.290 1.370 10 30 ADEEMO C#CC[N@@H+](CC1OCCO1)C(C)(C)C 932462934 631133619 /nfs/dbraw/zinc/13/36/19/631133619.db2.gz DPIWRWBXNWCSCZ-UHFFFAOYSA-N 1 1 197.278 1.093 10 30 ADEEMO C#CC[N@H+](CC[C@H](C)O)C(C)(C)C 932461767 631133666 /nfs/dbraw/zinc/13/36/66/631133666.db2.gz HWYYCTNLVWUDHX-JTQLQIEISA-N 1 1 183.295 1.491 10 30 ADEEMO C#CC[N@H+](CCF)C(C)(C)C 932463949 631133672 /nfs/dbraw/zinc/13/36/72/631133672.db2.gz QWHWYIQHTFIKIJ-UHFFFAOYSA-N 1 1 157.232 1.690 10 30 ADEEMO C=C(CC)C[N@@H+](CC)CCC(N)=O 932479418 631133693 /nfs/dbraw/zinc/13/36/93/631133693.db2.gz XPZZGKZIEJYSQX-UHFFFAOYSA-N 1 1 184.283 1.150 10 30 ADEEMO C#CC[N@@H+](C[C@@H](O)C1CC1)C(C)C 932387841 631133704 /nfs/dbraw/zinc/13/37/04/631133704.db2.gz LLNHBIDMDLESFV-LLVKDONJSA-N 1 1 181.279 1.101 10 30 ADEEMO C#CC[N@H+](CCC(C)=O)C(C)(C)C 932459789 631133733 /nfs/dbraw/zinc/13/37/33/631133733.db2.gz AQEUBQFNCYFYHA-UHFFFAOYSA-N 1 1 181.279 1.699 10 30 ADEEMO C#CC[N@H+](Cc1cn(C)cn1)C(C)C 932388354 631133759 /nfs/dbraw/zinc/13/37/59/631133759.db2.gz HOJYMMYEFMQUCO-UHFFFAOYSA-N 1 1 191.278 1.264 10 30 ADEEMO C#CC[N@@H+](Cc1cn(C)cn1)C(C)C 932388354 631133761 /nfs/dbraw/zinc/13/37/61/631133761.db2.gz HOJYMMYEFMQUCO-UHFFFAOYSA-N 1 1 191.278 1.264 10 30 ADEEMO C#CC[N@H+](CCOCC)C(C)C 932387219 631133771 /nfs/dbraw/zinc/13/37/71/631133771.db2.gz BZNRVVXIUFJMCG-UHFFFAOYSA-N 1 1 169.268 1.367 10 30 ADEEMO C#CC[N@H+](CCCOC)C(C)C 932387213 631133803 /nfs/dbraw/zinc/13/38/03/631133803.db2.gz BRLCKOPGCGQNRM-UHFFFAOYSA-N 1 1 169.268 1.367 10 30 ADEEMO C#CC[N@H+](CCC(C)=O)C(C)C 932384791 631133821 /nfs/dbraw/zinc/13/38/21/631133821.db2.gz YTKXMAFIBFEKGT-UHFFFAOYSA-N 1 1 167.252 1.309 10 30 ADEEMO C#CC[N@@H+](CC1(C)COC1)C(C)(C)C 932461484 631133918 /nfs/dbraw/zinc/13/39/18/631133918.db2.gz CWTTYISIBNGMFD-UHFFFAOYSA-N 1 1 195.306 1.757 10 30 ADEEMO C#CC[N@H+](C[C@@H](C)CO)C(C)(C)C 932463410 631133890 /nfs/dbraw/zinc/13/38/90/631133890.db2.gz HHLCXQOZNIBLSK-SNVBAGLBSA-N 1 1 183.295 1.349 10 30 ADEEMO C#CC[N@H+](CCC[C@@H](C)O)C(C)(C)C 932462431 631133913 /nfs/dbraw/zinc/13/39/13/631133913.db2.gz YXBWSDJHWLFCPC-LLVKDONJSA-N 1 1 197.322 1.881 10 30 ADEEMO C#CC[N@H+](C[C@H](O)CCC)C(C)(C)C 932461531 631134016 /nfs/dbraw/zinc/13/40/16/631134016.db2.gz FLDPVFNCBZAFCN-LLVKDONJSA-N 1 1 197.322 1.881 10 30 ADEEMO C#CC[N@H+](CCCCCO)C(C)(C)C 932464088 631134037 /nfs/dbraw/zinc/13/40/37/631134037.db2.gz LMVRKNIMVRXXSR-UHFFFAOYSA-N 1 1 197.322 1.883 10 30 ADEEMO C#CC[N@@H+](C[C@H]1CCOC1)C(C)(C)C 932463732 631134047 /nfs/dbraw/zinc/13/40/47/631134047.db2.gz NAAIHPMOIQGZSN-LLVKDONJSA-N 1 1 195.306 1.757 10 30 ADEEMO C#CC[N@H+](C[C@H](C)CO)C(C)(C)C 932463409 631134088 /nfs/dbraw/zinc/13/40/88/631134088.db2.gz HHLCXQOZNIBLSK-JTQLQIEISA-N 1 1 183.295 1.349 10 30 ADEEMO C=CCCC[N@H+](CC)CCC(N)=O 932481076 631134293 /nfs/dbraw/zinc/13/42/93/631134293.db2.gz QMBFIZFNKNRWGV-UHFFFAOYSA-N 1 1 184.283 1.150 10 30 ADEEMO C#CCOCC[N@@H+](CC#C)C(C)(C)C 932462266 631134302 /nfs/dbraw/zinc/13/43/02/631134302.db2.gz SVCSGBUDKNMCIX-UHFFFAOYSA-N 1 1 193.290 1.370 10 30 ADEEMO C#CC[N@H+](C[C@@H](C)OC)C(C)(C)C 932462680 631134381 /nfs/dbraw/zinc/13/43/81/631134381.db2.gz BNHWVAJHMGADAG-SNVBAGLBSA-N 1 1 183.295 1.755 10 30 ADEEMO C#CC[N@@H+](C[C@@H]1CCCO1)C(C)(C)C 932465820 631134403 /nfs/dbraw/zinc/13/44/03/631134403.db2.gz NBFYKGAMJSFOMU-NSHDSACASA-N 1 1 195.306 1.899 10 30 ADEEMO C#CC[N@@H+](C[C@H](O)C1CC1)C(C)C 932387842 631134417 /nfs/dbraw/zinc/13/44/17/631134417.db2.gz LLNHBIDMDLESFV-NSHDSACASA-N 1 1 181.279 1.101 10 30 ADEEMO C#CC[N@H+](C[C@H](C)OC)C(C)(C)C 932462677 631134466 /nfs/dbraw/zinc/13/44/66/631134466.db2.gz BNHWVAJHMGADAG-JTQLQIEISA-N 1 1 183.295 1.755 10 30 ADEEMO C=C(C)C[N@H+]1CCn2cccc2C1 932524169 631136243 /nfs/dbraw/zinc/13/62/43/631136243.db2.gz DIGOUTUDXJQTFW-UHFFFAOYSA-N 1 1 176.263 1.880 10 30 ADEEMO C#C[C@@H]1CCCC[N@@H+]1CC=C 934509204 631148164 /nfs/dbraw/zinc/14/81/64/631148164.db2.gz KVRCJLCYAGLWBZ-SNVBAGLBSA-N 1 1 149.237 1.660 10 30 ADEEMO C=CC[N@@H+]1CC[C@@H](C(=O)OC)C[C@H]1C 933173352 631139101 /nfs/dbraw/zinc/13/91/01/631139101.db2.gz ATBHGPDEICLWND-NXEZZACHSA-N 1 1 197.278 1.446 10 30 ADEEMO C#CC[N@@H+]1CCOC[C@H]1CC1CC1 933211992 631139143 /nfs/dbraw/zinc/13/91/43/631139143.db2.gz CRSWPWZKBDQNFE-LLVKDONJSA-N 1 1 179.263 1.121 10 30 ADEEMO C#CC[N@H+]1CCOC[C@H]1CC1CC1 933211992 631139147 /nfs/dbraw/zinc/13/91/47/631139147.db2.gz CRSWPWZKBDQNFE-LLVKDONJSA-N 1 1 179.263 1.121 10 30 ADEEMO C=CCC[N@H+]1CCCNC(=O)[C@@H]1CC 933225183 631139168 /nfs/dbraw/zinc/13/91/68/631139168.db2.gz NMDQSHCBIKMPKT-JTQLQIEISA-N 1 1 196.294 1.163 10 30 ADEEMO CC#CC[N@H+]1CCOC[C@@H]1CC1CC1 933207629 631140067 /nfs/dbraw/zinc/14/00/67/631140067.db2.gz DGTDMWLKCMBUBJ-LBPRGKRZSA-N 1 1 193.290 1.511 10 30 ADEEMO C=CC[N@H+]1CCOC[C@H]1CC1CC1 933210312 631139246 /nfs/dbraw/zinc/13/92/46/631139246.db2.gz PLUPTSYIGPXHKN-LLVKDONJSA-N 1 1 181.279 1.673 10 30 ADEEMO C=C(C)C[N@H+]1C2CCC1(C(N)=O)CC2 932933065 631139319 /nfs/dbraw/zinc/13/93/19/631139319.db2.gz ZXUOOJXFGVCFIH-UHFFFAOYSA-N 1 1 194.278 1.045 10 30 ADEEMO C=CC[N@H+]1CCCCCNC(=O)CC1 934159981 631145444 /nfs/dbraw/zinc/14/54/44/631145444.db2.gz KTPVIJVSBPMKOX-UHFFFAOYSA-N 1 1 196.294 1.165 10 30 ADEEMO C=CCC[N@@H+]1C2CCC1(C(N)=O)CC2 932933510 631139668 /nfs/dbraw/zinc/13/96/68/631139668.db2.gz FGEVWPVDSMJZRB-UHFFFAOYSA-N 1 1 194.278 1.045 10 30 ADEEMO C=C(C)[C@H](CO)[N@H+]1CC[C@H](OCC)C1 932972716 631139673 /nfs/dbraw/zinc/13/96/73/631139673.db2.gz FSEZNFPRPICKET-QWRGUYRKSA-N 1 1 199.294 1.034 10 30 ADEEMO C#C[C@@H]1CCCC[N@@H+]1CCOC 934510930 631148152 /nfs/dbraw/zinc/14/81/52/631148152.db2.gz MFTVJKFZZKWRNC-SNVBAGLBSA-N 1 1 167.252 1.121 10 30 ADEEMO C#C[C@H]1CCCC[N@H+]1C[C@@H]1CCOC1 934511819 631147880 /nfs/dbraw/zinc/14/78/80/631147880.db2.gz UHXXXHNVSHMHKU-RYUDHWBXSA-N 1 1 193.290 1.511 10 30 ADEEMO CC#CC[N@@H+]1CCOC[C@H]1CC1CC1 933207626 631139711 /nfs/dbraw/zinc/13/97/11/631139711.db2.gz DGTDMWLKCMBUBJ-GFCCVEGCSA-N 1 1 193.290 1.511 10 30 ADEEMO CC#CC[N@H+]1CCOC[C@H]1CC1CC1 933207626 631139717 /nfs/dbraw/zinc/13/97/17/631139717.db2.gz DGTDMWLKCMBUBJ-GFCCVEGCSA-N 1 1 193.290 1.511 10 30 ADEEMO C=CC[N@H+]1CCOC[C@@H]1CC1CC1 933210313 631139801 /nfs/dbraw/zinc/13/98/01/631139801.db2.gz PLUPTSYIGPXHKN-NSHDSACASA-N 1 1 181.279 1.673 10 30 ADEEMO C#CCC[N@H+]1CCOC[C@@H]1CC1CC1 933212740 631139878 /nfs/dbraw/zinc/13/98/78/631139878.db2.gz JKSYGUXNLCBKGZ-LBPRGKRZSA-N 1 1 193.290 1.511 10 30 ADEEMO C#CC[N@@H+]1CCOC[C@@H]1CC1CC1 933211993 631139949 /nfs/dbraw/zinc/13/99/49/631139949.db2.gz CRSWPWZKBDQNFE-NSHDSACASA-N 1 1 179.263 1.121 10 30 ADEEMO C#CC[N@H+]1CCOC[C@@H]1CC1CC1 933211993 631139950 /nfs/dbraw/zinc/13/99/50/631139950.db2.gz CRSWPWZKBDQNFE-NSHDSACASA-N 1 1 179.263 1.121 10 30 ADEEMO CC#CC[N@@H+]1CCOC[C@@H]1CC1CC1 933207629 631140065 /nfs/dbraw/zinc/14/00/65/631140065.db2.gz DGTDMWLKCMBUBJ-LBPRGKRZSA-N 1 1 193.290 1.511 10 30 ADEEMO C=C(C)C[N@H+]1CCCNC(=O)[C@@H]1CC 933224507 631140089 /nfs/dbraw/zinc/14/00/89/631140089.db2.gz DMIUVXJJKYFJKH-JTQLQIEISA-N 1 1 196.294 1.163 10 30 ADEEMO C=C(C)[C@@H](CO)[N@H+]1CC[C@H](OCC)C1 932972717 631140210 /nfs/dbraw/zinc/14/02/10/631140210.db2.gz FSEZNFPRPICKET-WDEREUQCSA-N 1 1 199.294 1.034 10 30 ADEEMO C=CC[N@@H+](CC)C(C)(C)C(=O)OC 933187030 631140277 /nfs/dbraw/zinc/14/02/77/631140277.db2.gz FKNLIVQAGIOGCP-UHFFFAOYSA-N 1 1 185.267 1.446 10 30 ADEEMO C=CC[N@H+](CC)C(C)(C)C(=O)OC 933187030 631140278 /nfs/dbraw/zinc/14/02/78/631140278.db2.gz FKNLIVQAGIOGCP-UHFFFAOYSA-N 1 1 185.267 1.446 10 30 ADEEMO C#CCC[N@H+]1CCOC[C@H]1CC1CC1 933212739 631140351 /nfs/dbraw/zinc/14/03/51/631140351.db2.gz JKSYGUXNLCBKGZ-GFCCVEGCSA-N 1 1 193.290 1.511 10 30 ADEEMO C=CCCC[N@H+](CC)CCC(=O)NC 933866009 631141949 /nfs/dbraw/zinc/14/19/49/631141949.db2.gz HUNBKUGMTNGWRL-UHFFFAOYSA-N 1 1 198.310 1.411 10 30 ADEEMO C=C(C)C[N@H+]1CCO[C@@H]2COCC[C@@H]21 933960688 631141965 /nfs/dbraw/zinc/14/19/65/631141965.db2.gz GUHYJRHKOXCGFQ-WDEREUQCSA-N 1 1 197.278 1.052 10 30 ADEEMO C=CC[C@H](C)[N@@H+](CC)CCC(=O)NC 933862433 631142048 /nfs/dbraw/zinc/14/20/48/631142048.db2.gz ZFCDROVCLRHKOZ-JTQLQIEISA-N 1 1 198.310 1.409 10 30 ADEEMO C=CC[C@@H](C)[N@@H+](CC)CCC(=O)NC 933862434 631142087 /nfs/dbraw/zinc/14/20/87/631142087.db2.gz ZFCDROVCLRHKOZ-SNVBAGLBSA-N 1 1 198.310 1.409 10 30 ADEEMO C=C(C)C[N@H+](C)[C@@H]1CC[C@@H]1OC 934109453 631142428 /nfs/dbraw/zinc/14/24/28/631142428.db2.gz PPSJQFIUJGPLFP-ZJUUUORDSA-N 1 1 169.268 1.672 10 30 ADEEMO C=CCC[N@H+](C)[C@H]1CC[C@@H]1OC 934105120 631142669 /nfs/dbraw/zinc/14/26/69/631142669.db2.gz BOULFOOGIFOGKP-UWVGGRQHSA-N 1 1 169.268 1.672 10 30 ADEEMO C=C(C)C[N@H+](C)[C@@H]1CC[C@H]1OC 934109450 631142904 /nfs/dbraw/zinc/14/29/04/631142904.db2.gz PPSJQFIUJGPLFP-NXEZZACHSA-N 1 1 169.268 1.672 10 30 ADEEMO C=CCC[N@H+]1CCO[C@@H]2COCC[C@@H]21 933963258 631143079 /nfs/dbraw/zinc/14/30/79/631143079.db2.gz ALJRGZYWIRNOBZ-WDEREUQCSA-N 1 1 197.278 1.052 10 30 ADEEMO C=CCC[N@H+](C)[C@H]1CC[C@H]1OC 934105121 631143233 /nfs/dbraw/zinc/14/32/33/631143233.db2.gz BOULFOOGIFOGKP-VHSXEESVSA-N 1 1 169.268 1.672 10 30 ADEEMO C#CCCCCC[N@@H+]1CC[C@@H]1CO 934011785 631143332 /nfs/dbraw/zinc/14/33/32/631143332.db2.gz NXVMIZAQECBWLU-LLVKDONJSA-N 1 1 181.279 1.247 10 30 ADEEMO C=CCC[N@H+](C)[C@@H]1CC[C@H]1OC 934105119 631143337 /nfs/dbraw/zinc/14/33/37/631143337.db2.gz BOULFOOGIFOGKP-NXEZZACHSA-N 1 1 169.268 1.672 10 30 ADEEMO C=C(C)C[N@H+](C)[C@H]1CC[C@H]1OC 934109452 631143479 /nfs/dbraw/zinc/14/34/79/631143479.db2.gz PPSJQFIUJGPLFP-VHSXEESVSA-N 1 1 169.268 1.672 10 30 ADEEMO C=CCC[N@H+](C)[C@@H]1CC[C@@H]1OC 934105122 631143628 /nfs/dbraw/zinc/14/36/28/631143628.db2.gz BOULFOOGIFOGKP-ZJUUUORDSA-N 1 1 169.268 1.672 10 30 ADEEMO C#CCCCCC[N@@H+]1CC[C@H]1CO 934011786 631143656 /nfs/dbraw/zinc/14/36/56/631143656.db2.gz NXVMIZAQECBWLU-NSHDSACASA-N 1 1 181.279 1.247 10 30 ADEEMO C=C(C)C[N@H+](C)[C@H]1CC[C@@H]1OC 934109451 631143823 /nfs/dbraw/zinc/14/38/23/631143823.db2.gz PPSJQFIUJGPLFP-UWVGGRQHSA-N 1 1 169.268 1.672 10 30 ADEEMO CC#CC[N@H+](C)[C@@H]1CC[C@H]1OC 934117942 631144208 /nfs/dbraw/zinc/14/42/08/631144208.db2.gz QPFAXYSROXTCKZ-NXEZZACHSA-N 1 1 167.252 1.119 10 30 ADEEMO C=CC[N@H+](C)[C@H]1CC[C@H]1OC 934126735 631144400 /nfs/dbraw/zinc/14/44/00/631144400.db2.gz RCZGZEPUZWXOQS-DTWKUNHWSA-N 1 1 155.241 1.282 10 30 ADEEMO C=C(Cl)C[N@@H+](C)[C@@H]1CC[C@H]1OC 934112310 631144432 /nfs/dbraw/zinc/14/44/32/631144432.db2.gz XYSOTDZRNZXCPM-RKDXNWHRSA-N 1 1 189.686 1.848 10 30 ADEEMO C=C(Cl)C[N@H+](C)[C@@H]1CC[C@H]1OC 934112310 631144434 /nfs/dbraw/zinc/14/44/34/631144434.db2.gz XYSOTDZRNZXCPM-RKDXNWHRSA-N 1 1 189.686 1.848 10 30 ADEEMO C=CC[N@H+](C)[C@@H]1CC[C@H]1OC 934126738 631144505 /nfs/dbraw/zinc/14/45/05/631144505.db2.gz RCZGZEPUZWXOQS-RKDXNWHRSA-N 1 1 155.241 1.282 10 30 ADEEMO C=C(C)[C@H](CO)[N@H+](C)[C@H]1CC[C@H]1OC 934115598 631144549 /nfs/dbraw/zinc/14/45/49/631144549.db2.gz QWZANSOZZMQNIY-GARJFASQSA-N 1 1 199.294 1.033 10 30 ADEEMO CC#CCC[N@H+](C)[C@@H]1CC[C@H]1OC 934114387 631144565 /nfs/dbraw/zinc/14/45/65/631144565.db2.gz UDAGBOJRBRVEJU-GHMZBOCLSA-N 1 1 181.279 1.509 10 30 ADEEMO CC#CC[N@H+](C)[C@H]1CC[C@H]1OC 934117945 631144631 /nfs/dbraw/zinc/14/46/31/631144631.db2.gz QPFAXYSROXTCKZ-VHSXEESVSA-N 1 1 167.252 1.119 10 30 ADEEMO CC#CCC[N@H+](C)[C@H]1CC[C@H]1OC 934114390 631144771 /nfs/dbraw/zinc/14/47/71/631144771.db2.gz UDAGBOJRBRVEJU-WDEREUQCSA-N 1 1 181.279 1.509 10 30 ADEEMO C=CC[N@H+](C)[C@H]1CC[C@@H]1OC 934126736 631144849 /nfs/dbraw/zinc/14/48/49/631144849.db2.gz RCZGZEPUZWXOQS-IUCAKERBSA-N 1 1 155.241 1.282 10 30 ADEEMO C=CCOCC[N@H+](C)[C@H]1CC[C@@H]1OC 934112055 631144856 /nfs/dbraw/zinc/14/48/56/631144856.db2.gz QGRGDMNBVIYEMC-QWRGUYRKSA-N 1 1 199.294 1.298 10 30 ADEEMO CC#CCC[N@H+](C)[C@H]1CC[C@@H]1OC 934114389 631144883 /nfs/dbraw/zinc/14/48/83/631144883.db2.gz UDAGBOJRBRVEJU-QWRGUYRKSA-N 1 1 181.279 1.509 10 30 ADEEMO C=CCOCC[N@H+](C)[C@H]1CC[C@H]1OC 934112058 631144998 /nfs/dbraw/zinc/14/49/98/631144998.db2.gz QGRGDMNBVIYEMC-WDEREUQCSA-N 1 1 199.294 1.298 10 30 ADEEMO C=CCOCC[N@H+](C)[C@@H]1CC[C@@H]1OC 934112052 631145016 /nfs/dbraw/zinc/14/50/16/631145016.db2.gz QGRGDMNBVIYEMC-MNOVXSKESA-N 1 1 199.294 1.298 10 30 ADEEMO C=CC[N@H+](C)[C@@H]1CC[C@@H]1OC 934126733 631145200 /nfs/dbraw/zinc/14/52/00/631145200.db2.gz RCZGZEPUZWXOQS-BDAKNGLRSA-N 1 1 155.241 1.282 10 30 ADEEMO C=C(C)[C@H](CO)[N@H+](C)[C@@H]1CC[C@@H]1OC 934115603 631145204 /nfs/dbraw/zinc/14/52/04/631145204.db2.gz QWZANSOZZMQNIY-VWYCJHECSA-N 1 1 199.294 1.033 10 30 ADEEMO C=CCOCC[N@H+](C)[C@@H]1CC[C@H]1OC 934112050 631145210 /nfs/dbraw/zinc/14/52/10/631145210.db2.gz QGRGDMNBVIYEMC-GHMZBOCLSA-N 1 1 199.294 1.298 10 30 ADEEMO CC#CC[N@H+](C)[C@H]1CC[C@@H]1OC 934117943 631145299 /nfs/dbraw/zinc/14/52/99/631145299.db2.gz QPFAXYSROXTCKZ-UWVGGRQHSA-N 1 1 167.252 1.119 10 30 ADEEMO C=C(Cl)C[N@@H+](C)[C@H]1CC[C@@H]1OC 934112308 631145305 /nfs/dbraw/zinc/14/53/05/631145305.db2.gz XYSOTDZRNZXCPM-IUCAKERBSA-N 1 1 189.686 1.848 10 30 ADEEMO C=C(Cl)C[N@H+](C)[C@H]1CC[C@@H]1OC 934112308 631145306 /nfs/dbraw/zinc/14/53/06/631145306.db2.gz XYSOTDZRNZXCPM-IUCAKERBSA-N 1 1 189.686 1.848 10 30 ADEEMO C=C(Cl)C[N@@H+](C)[C@@H]1CC[C@@H]1OC 934112296 631145317 /nfs/dbraw/zinc/14/53/17/631145317.db2.gz XYSOTDZRNZXCPM-BDAKNGLRSA-N 1 1 189.686 1.848 10 30 ADEEMO C=C(Cl)C[N@H+](C)[C@@H]1CC[C@@H]1OC 934112296 631145319 /nfs/dbraw/zinc/14/53/19/631145319.db2.gz XYSOTDZRNZXCPM-BDAKNGLRSA-N 1 1 189.686 1.848 10 30 ADEEMO C=C(Cl)C[N@@H+](C)[C@H]1CC[C@H]1OC 934112306 631145345 /nfs/dbraw/zinc/14/53/45/631145345.db2.gz XYSOTDZRNZXCPM-DTWKUNHWSA-N 1 1 189.686 1.848 10 30 ADEEMO C=C(Cl)C[N@H+](C)[C@H]1CC[C@H]1OC 934112306 631145347 /nfs/dbraw/zinc/14/53/47/631145347.db2.gz XYSOTDZRNZXCPM-DTWKUNHWSA-N 1 1 189.686 1.848 10 30 ADEEMO CC#CC[N@H+](C)[C@@H]1CC[C@@H]1OC 934117947 631145406 /nfs/dbraw/zinc/14/54/06/631145406.db2.gz QPFAXYSROXTCKZ-ZJUUUORDSA-N 1 1 167.252 1.119 10 30 ADEEMO C=C(C)[C@H](CO)[N@H+](C)[C@@H]1CC[C@H]1OC 934115600 631145491 /nfs/dbraw/zinc/14/54/91/631145491.db2.gz QWZANSOZZMQNIY-OUAUKWLOSA-N 1 1 199.294 1.033 10 30 ADEEMO CC#CCC[N@H+](C)[C@@H]1CC[C@@H]1OC 934114388 631145506 /nfs/dbraw/zinc/14/55/06/631145506.db2.gz UDAGBOJRBRVEJU-MNOVXSKESA-N 1 1 181.279 1.509 10 30 ADEEMO C=C(C)[C@H](CO)[N@H+](C)[C@H]1CC[C@@H]1OC 934115597 631145509 /nfs/dbraw/zinc/14/55/09/631145509.db2.gz QWZANSOZZMQNIY-DCAQKATOSA-N 1 1 199.294 1.033 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1CCCOC 934460961 631145813 /nfs/dbraw/zinc/14/58/13/631145813.db2.gz LKSREEPBIMQCBX-SNVBAGLBSA-N 1 1 169.268 1.673 10 30 ADEEMO C=CC[C@@H]1CC[N@@H+]1CC(=O)NCCC 934461071 631145990 /nfs/dbraw/zinc/14/59/90/631145990.db2.gz VRDDFILUOVPQSW-SNVBAGLBSA-N 1 1 196.294 1.163 10 30 ADEEMO N#CC[C@@H](O)C[N@H+]1CC[C@@H]2CCC[C@@H]21 934337105 631146000 /nfs/dbraw/zinc/14/60/00/631146000.db2.gz FQIOVMXFCJEORN-AXFHLTTASA-N 1 1 194.278 1.135 10 30 ADEEMO C=CC[N@@H+]1CCCSC[C@@H]1C 934301457 631146035 /nfs/dbraw/zinc/14/60/35/631146035.db2.gz UULWZXZCXOSDBS-VIFPVBQESA-N 1 1 171.309 2.000 10 30 ADEEMO C=CCC[C@H](O)C[N@H+]1CC[C@@H]1CC=C 934466247 631146112 /nfs/dbraw/zinc/14/61/12/631146112.db2.gz RCKOUVGVPZRLAR-RYUDHWBXSA-N 1 1 195.306 1.964 10 30 ADEEMO C=CC[N@@H+]1CCCSC[C@H]1C 934301454 631146372 /nfs/dbraw/zinc/14/63/72/631146372.db2.gz UULWZXZCXOSDBS-SECBINFHSA-N 1 1 171.309 2.000 10 30 ADEEMO C=CCC[C@@H](O)C[N@H+]1CC[C@H]1CC=C 934466248 631146428 /nfs/dbraw/zinc/14/64/28/631146428.db2.gz RCKOUVGVPZRLAR-VXGBXAGGSA-N 1 1 195.306 1.964 10 30 ADEEMO C=CCC[C@@H](O)C[N@H+]1CC[C@@H]1CC=C 934466246 631146785 /nfs/dbraw/zinc/14/67/85/631146785.db2.gz RCKOUVGVPZRLAR-NWDGAFQWSA-N 1 1 195.306 1.964 10 30 ADEEMO C#C[C@H]1CCCC[N@H+]1C[C@H]1CCOC1 934511817 631147321 /nfs/dbraw/zinc/14/73/21/631147321.db2.gz UHXXXHNVSHMHKU-NEPJUHHUSA-N 1 1 193.290 1.511 10 30 ADEEMO C=CCCC[N@@H+]1CC[C@@H](O)[C@@H](F)C1 934577187 631147344 /nfs/dbraw/zinc/14/73/44/631147344.db2.gz VITALYUROROTGI-VHSXEESVSA-N 1 1 187.258 1.357 10 30 ADEEMO C#C[C@H]1CCCC[N@@H+]1CCCCOC 934512591 631147455 /nfs/dbraw/zinc/14/74/55/631147455.db2.gz RKSMVGKJCAPPJF-LBPRGKRZSA-N 1 1 195.306 1.901 10 30 ADEEMO C#C[C@@H]1CCCC[N@@H+]1CCCF 934512692 631147460 /nfs/dbraw/zinc/14/74/60/631147460.db2.gz VDSUNCRTASFRNG-SNVBAGLBSA-N 1 1 169.243 1.834 10 30 ADEEMO C#C[C@H]1CCCC[N@@H+]1CC#CCOC 934515486 631147465 /nfs/dbraw/zinc/14/74/65/631147465.db2.gz UMADZSOHLLKTLF-LBPRGKRZSA-N 1 1 191.274 1.124 10 30 ADEEMO C#C[C@H]1CCCC[N@H+]1CC1CC1 934511979 631147599 /nfs/dbraw/zinc/14/75/99/631147599.db2.gz CIEBNNVBRHEWIE-NSHDSACASA-N 1 1 163.264 1.884 10 30 ADEEMO C#C[C@@H]1CCCC[N@@H+]1C[C@H](O)CCC 934515919 631147610 /nfs/dbraw/zinc/14/76/10/631147610.db2.gz UIGQKXPBKDKAOR-VXGBXAGGSA-N 1 1 195.306 1.635 10 30 ADEEMO C#C[C@H]1CCCC[N@H+]1CCCC#N 934509882 631147643 /nfs/dbraw/zinc/14/76/43/631147643.db2.gz RIEOOSYPKGJPLY-NSHDSACASA-N 1 1 176.263 1.778 10 30 ADEEMO C#C[C@H]1CCCC[N@H+]1C[C@H]1CCCO1 934508933 631147662 /nfs/dbraw/zinc/14/76/62/631147662.db2.gz ICUJIQTTYBZHFL-NWDGAFQWSA-N 1 1 193.290 1.653 10 30 ADEEMO C=CCCC[N@@H+]1CC[C@@H](O)[C@H](F)C1 934577184 631147664 /nfs/dbraw/zinc/14/76/64/631147664.db2.gz VITALYUROROTGI-NXEZZACHSA-N 1 1 187.258 1.357 10 30 ADEEMO C#C[C@H]1CCCC[N@@H+]1C[C@H](O)CCC 934515917 631147677 /nfs/dbraw/zinc/14/76/77/631147677.db2.gz UIGQKXPBKDKAOR-NWDGAFQWSA-N 1 1 195.306 1.635 10 30 ADEEMO C#C[C@@H]1CCCC[N@@H+]1CCCCO 934511826 631147681 /nfs/dbraw/zinc/14/76/81/631147681.db2.gz UYQNGHHVUPNXBV-LLVKDONJSA-N 1 1 181.279 1.247 10 30 ADEEMO C#C[C@H]1CCCC[N@@H+]1C[C@@H](CC)OC 934515203 631147683 /nfs/dbraw/zinc/14/76/83/631147683.db2.gz HPKVJXFOHHULPE-NWDGAFQWSA-N 1 1 195.306 1.899 10 30 ADEEMO C#C[C@@H]1CCCC[N@@H+]1CCCCCO 934511214 631147687 /nfs/dbraw/zinc/14/76/87/631147687.db2.gz JTKHLVVNKCOORJ-GFCCVEGCSA-N 1 1 195.306 1.637 10 30 ADEEMO C#C[C@@H]1CCCC[N@@H+]1CC#CCOC 934515485 631147694 /nfs/dbraw/zinc/14/76/94/631147694.db2.gz UMADZSOHLLKTLF-GFCCVEGCSA-N 1 1 191.274 1.124 10 30 ADEEMO C#C[C@H]1CCCC[N@@H+]1CCCF 934512691 631147697 /nfs/dbraw/zinc/14/76/97/631147697.db2.gz VDSUNCRTASFRNG-JTQLQIEISA-N 1 1 169.243 1.834 10 30 ADEEMO C#C[C@H]1CCCC[N@@H+]1CCOCC 934509871 631147701 /nfs/dbraw/zinc/14/77/01/631147701.db2.gz QYFIQNCHECUFPE-NSHDSACASA-N 1 1 181.279 1.511 10 30 ADEEMO C#C[C@@H]1CCCC[N@@H+]1CC#CC 934512443 631147719 /nfs/dbraw/zinc/14/77/19/631147719.db2.gz MTGJFKAKVQYXKX-LLVKDONJSA-N 1 1 161.248 1.497 10 30 ADEEMO C#C[C@H]1CCCC[N@@H+]1CC#CC 934512444 631147735 /nfs/dbraw/zinc/14/77/35/631147735.db2.gz MTGJFKAKVQYXKX-NSHDSACASA-N 1 1 161.248 1.497 10 30 ADEEMO C#C[C@@H]1CCCC[N@@H+]1CCC(C)(C)O 934511948 631147742 /nfs/dbraw/zinc/14/77/42/631147742.db2.gz AYPSNYJLBZOSJQ-LLVKDONJSA-N 1 1 195.306 1.635 10 30 ADEEMO C#C[C@H]1CCCC[N@@H+]1CC1(C)COC1 934512393 631147751 /nfs/dbraw/zinc/14/77/51/631147751.db2.gz MAEMICATRBXMLF-NSHDSACASA-N 1 1 193.290 1.511 10 30 ADEEMO C#C[C@H]1CCCC[N@@H+]1C[C@H](CC)OC 934515204 631147820 /nfs/dbraw/zinc/14/78/20/631147820.db2.gz HPKVJXFOHHULPE-RYUDHWBXSA-N 1 1 195.306 1.899 10 30 ADEEMO C#C[C@@H]1CCCC[N@H+]1Cc1cn[nH]c1 934517094 631147826 /nfs/dbraw/zinc/14/78/26/631147826.db2.gz SKYQBSGFGWABEI-LLVKDONJSA-N 1 1 189.262 1.397 10 30 ADEEMO C#C[C@@H]1CCCC[N@H+]1CCCC#N 934509881 631147873 /nfs/dbraw/zinc/14/78/73/631147873.db2.gz RIEOOSYPKGJPLY-LLVKDONJSA-N 1 1 176.263 1.778 10 30 ADEEMO C#C[C@H]1CCCC[N@H+]1C[C@@H]1CCCO1 934508934 631147901 /nfs/dbraw/zinc/14/79/01/631147901.db2.gz ICUJIQTTYBZHFL-RYUDHWBXSA-N 1 1 193.290 1.653 10 30 ADEEMO C=CCCC[N@@H+]1CC[C@H](O)[C@H](F)C1 934577189 631147911 /nfs/dbraw/zinc/14/79/11/631147911.db2.gz VITALYUROROTGI-ZJUUUORDSA-N 1 1 187.258 1.357 10 30 ADEEMO C#C[C@H]1CCCC[N@@H+]1C[C@@H](O)CCC 934515918 631147918 /nfs/dbraw/zinc/14/79/18/631147918.db2.gz UIGQKXPBKDKAOR-RYUDHWBXSA-N 1 1 195.306 1.635 10 30 ADEEMO C#C[C@H]1CCCC[N@@H+]1CC=C 934509203 631147962 /nfs/dbraw/zinc/14/79/62/631147962.db2.gz KVRCJLCYAGLWBZ-JTQLQIEISA-N 1 1 149.237 1.660 10 30 ADEEMO C#C[C@@H]1CCCC[N@H+]1CC1CC1 934511978 631148058 /nfs/dbraw/zinc/14/80/58/631148058.db2.gz CIEBNNVBRHEWIE-LLVKDONJSA-N 1 1 163.264 1.884 10 30 ADEEMO C#C[C@@H]1CCCC[N@@H+]1CCCCOC 934512590 631148068 /nfs/dbraw/zinc/14/80/68/631148068.db2.gz RKSMVGKJCAPPJF-GFCCVEGCSA-N 1 1 195.306 1.901 10 30 ADEEMO C#C[C@@H]1CCCC[N@@H+]1CC(OC)OC 934515350 631148072 /nfs/dbraw/zinc/14/80/72/631148072.db2.gz TWJVDEYBAMRTNP-SNVBAGLBSA-N 1 1 197.278 1.093 10 30 ADEEMO C#C[C@H]1CCCC[N@@H+]1CCOC 934510929 631148086 /nfs/dbraw/zinc/14/80/86/631148086.db2.gz MFTVJKFZZKWRNC-JTQLQIEISA-N 1 1 167.252 1.121 10 30 ADEEMO C#C[C@H]1CCCC[N@@H+]1CC(OC)OC 934515349 631148143 /nfs/dbraw/zinc/14/81/43/631148143.db2.gz TWJVDEYBAMRTNP-JTQLQIEISA-N 1 1 197.278 1.093 10 30 ADEEMO C=CCCC[N@@H+]1CC[C@H](O)[C@@H](F)C1 934577186 631148155 /nfs/dbraw/zinc/14/81/55/631148155.db2.gz VITALYUROROTGI-UWVGGRQHSA-N 1 1 187.258 1.357 10 30 ADEEMO C#C[C@H]1CCCC[N@H+]1Cc1cn[nH]c1 934517095 631148189 /nfs/dbraw/zinc/14/81/89/631148189.db2.gz SKYQBSGFGWABEI-NSHDSACASA-N 1 1 189.262 1.397 10 30 ADEEMO C#C[C@@H]1CCCC[N@@H+]1C[C@@H](CC)OC 934515205 631148195 /nfs/dbraw/zinc/14/81/95/631148195.db2.gz HPKVJXFOHHULPE-VXGBXAGGSA-N 1 1 195.306 1.899 10 30 ADEEMO C#C[C@@H]1CCCC[N@H+]1C[C@H]1CCOC1 934511820 631148208 /nfs/dbraw/zinc/14/82/08/631148208.db2.gz UHXXXHNVSHMHKU-VXGBXAGGSA-N 1 1 193.290 1.511 10 30 ADEEMO C#C[C@H]1CCCC[N@@H+]1CCSC 934508893 631148227 /nfs/dbraw/zinc/14/82/27/631148227.db2.gz HBYZRAWBTREJIS-JTQLQIEISA-N 1 1 183.320 1.837 10 30 ADEEMO C#C[C@@H]1CCCC[N@H+]1C[C@@H]1CCOC1 934511818 631148236 /nfs/dbraw/zinc/14/82/36/631148236.db2.gz UHXXXHNVSHMHKU-NWDGAFQWSA-N 1 1 193.290 1.511 10 30 ADEEMO C#C[C@@H]1CCCC[N@H+]1C[C@H]1CCCO1 934508935 631148244 /nfs/dbraw/zinc/14/82/44/631148244.db2.gz ICUJIQTTYBZHFL-VXGBXAGGSA-N 1 1 193.290 1.653 10 30 ADEEMO C#C[C@H]1CCCC[N@@H+]1CCC(C)(C)O 934511949 631148252 /nfs/dbraw/zinc/14/82/52/631148252.db2.gz AYPSNYJLBZOSJQ-NSHDSACASA-N 1 1 195.306 1.635 10 30 ADEEMO C#C[C@@H]1CCCC[N@@H+]1CC1(C)COC1 934512392 631148270 /nfs/dbraw/zinc/14/82/70/631148270.db2.gz MAEMICATRBXMLF-LLVKDONJSA-N 1 1 193.290 1.511 10 30 ADEEMO C#C[C@@H]1CCCC[N@H+]1CCOC1CC1 934518453 631148281 /nfs/dbraw/zinc/14/82/81/631148281.db2.gz ILWKZCFLAWRYIW-LLVKDONJSA-N 1 1 193.290 1.653 10 30 ADEEMO C#C[C@H]1CCCC[N@H+]1CCOC1CC1 934518454 631148290 /nfs/dbraw/zinc/14/82/90/631148290.db2.gz ILWKZCFLAWRYIW-NSHDSACASA-N 1 1 193.290 1.653 10 30 ADEEMO C#C[C@H]1CCCC[N@@H+]1CCCCCO 934511215 631148297 /nfs/dbraw/zinc/14/82/97/631148297.db2.gz JTKHLVVNKCOORJ-LBPRGKRZSA-N 1 1 195.306 1.637 10 30 ADEEMO C#C[C@@H]1CCCC[N@@H+]1CCOCC 934509870 631148307 /nfs/dbraw/zinc/14/83/07/631148307.db2.gz QYFIQNCHECUFPE-LLVKDONJSA-N 1 1 181.279 1.511 10 30 ADEEMO C#C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCO1 934508932 631148339 /nfs/dbraw/zinc/14/83/39/631148339.db2.gz ICUJIQTTYBZHFL-NEPJUHHUSA-N 1 1 193.290 1.653 10 30 ADEEMO C#C[C@@H]1CCCC[N@@H+]1C[C@@H](O)CCC 934515916 631148361 /nfs/dbraw/zinc/14/83/61/631148361.db2.gz UIGQKXPBKDKAOR-NEPJUHHUSA-N 1 1 195.306 1.635 10 30 ADEEMO C#C[C@@H]1CCCC[N@@H+]1CCSC 934508894 631148365 /nfs/dbraw/zinc/14/83/65/631148365.db2.gz HBYZRAWBTREJIS-SNVBAGLBSA-N 1 1 183.320 1.837 10 30 ADEEMO C#C[C@@H]1CCCC[N@@H+]1C[C@H](CC)OC 934515202 631148381 /nfs/dbraw/zinc/14/83/81/631148381.db2.gz HPKVJXFOHHULPE-NEPJUHHUSA-N 1 1 195.306 1.899 10 30 ADEEMO C#C[C@H]1CCCC[N@@H+]1CCCCO 934511827 631148388 /nfs/dbraw/zinc/14/83/88/631148388.db2.gz UYQNGHHVUPNXBV-NSHDSACASA-N 1 1 181.279 1.247 10 30 ADEEMO C=CCCC[N@H+](CC)C[C@H](C)CO 934646673 631148713 /nfs/dbraw/zinc/14/87/13/631148713.db2.gz MZPHDEZDUYYPLV-NSHDSACASA-N 1 1 185.311 1.903 10 30 ADEEMO C=CCCC[N@H+](CC)[C@@H](CC)C(N)=O 934646774 631148726 /nfs/dbraw/zinc/14/87/26/631148726.db2.gz VBGHXHPTIHNHNI-JTQLQIEISA-N 1 1 198.310 1.538 10 30 ADEEMO C#CCOCC[N@@H+](CC)CCCC=C 934645779 631148818 /nfs/dbraw/zinc/14/88/18/631148818.db2.gz AOFGUFYBYXPXMO-UHFFFAOYSA-N 1 1 195.306 1.924 10 30 ADEEMO C=CCCC[N@H+](CC)CC#CCOC 934646266 631148832 /nfs/dbraw/zinc/14/88/32/631148832.db2.gz KKYRDJRDJVYHLF-UHFFFAOYSA-N 1 1 195.306 1.924 10 30 ADEEMO C=CCCC[N@@H+](CC)Cc1cnon1 934646589 631148915 /nfs/dbraw/zinc/14/89/15/631148915.db2.gz IGQIZROWEWPBDU-UHFFFAOYSA-N 1 1 195.266 1.858 10 30 ADEEMO C=CCCC[N@H+](CC)Cc1cnon1 934646589 631148919 /nfs/dbraw/zinc/14/89/19/631148919.db2.gz IGQIZROWEWPBDU-UHFFFAOYSA-N 1 1 195.266 1.858 10 30 ADEEMO C=CCCC[N@H+](CC)C[C@H](O)CC#N 934645648 631148881 /nfs/dbraw/zinc/14/88/81/631148881.db2.gz WPKBXEGTCWNTRF-LLVKDONJSA-N 1 1 196.294 1.549 10 30 ADEEMO C=CCCC[N@H+](CC)CC(C)=O 934646937 631148892 /nfs/dbraw/zinc/14/88/92/631148892.db2.gz JVCLILUUNLOYJR-UHFFFAOYSA-N 1 1 169.268 1.864 10 30 ADEEMO C=CCCC[N@H+](CC)[C@H](C)C(=O)OC 934646823 631149030 /nfs/dbraw/zinc/14/90/30/631149030.db2.gz XCPDKDXSLIUIPF-SNVBAGLBSA-N 1 1 199.294 1.836 10 30 ADEEMO C=CCCC[N@H+](CC)C[C@@H](C)CO 934646670 631149138 /nfs/dbraw/zinc/14/91/38/631149138.db2.gz MZPHDEZDUYYPLV-LLVKDONJSA-N 1 1 185.311 1.903 10 30 ADEEMO C=CCCC[N@H+](CC)CC1OCCO1 934647517 631149177 /nfs/dbraw/zinc/14/91/77/631149177.db2.gz ZWUBWCOZRFRMCR-UHFFFAOYSA-N 1 1 199.294 1.647 10 30 ADEEMO C=CCCC[N@H+](CC)Cc1c[nH]nn1 934645576 631149335 /nfs/dbraw/zinc/14/93/35/631149335.db2.gz UJIHIOQKNSCFHL-UHFFFAOYSA-N 1 1 194.282 1.593 10 30 ADEEMO C=CCCC[N@H+](CC)Cc1cnn[nH]1 934645576 631149331 /nfs/dbraw/zinc/14/93/31/631149331.db2.gz UJIHIOQKNSCFHL-UHFFFAOYSA-N 1 1 194.282 1.593 10 30 ADEEMO C=CCCC[N@@H+](CC)Cc1c[nH]nn1 934645576 631149333 /nfs/dbraw/zinc/14/93/33/631149333.db2.gz UJIHIOQKNSCFHL-UHFFFAOYSA-N 1 1 194.282 1.593 10 30 ADEEMO C=CCCC[N@H+](CC)[C@H](CC)C(N)=O 934646775 631149344 /nfs/dbraw/zinc/14/93/44/631149344.db2.gz VBGHXHPTIHNHNI-SNVBAGLBSA-N 1 1 198.310 1.538 10 30 ADEEMO CC#CC[N@H+]1C[C@@H]2CSC[C@]2(C)C1 934766316 631149382 /nfs/dbraw/zinc/14/93/82/631149382.db2.gz OMWHLPIYPDNQCG-MNOVXSKESA-N 1 1 195.331 1.695 10 30 ADEEMO C=CCCC[N@H+](CC)CC[N+](=O)[O-] 934643453 631149407 /nfs/dbraw/zinc/14/94/07/631149407.db2.gz STYXOOPZEGPENL-UHFFFAOYSA-N 1 1 186.255 1.551 10 30 ADEEMO C=CCCC[N@H+](CC)[C@@H](C)C(N)=O 934644549 631149433 /nfs/dbraw/zinc/14/94/33/631149433.db2.gz CVVMRGJORBZDFK-VIFPVBQESA-N 1 1 184.283 1.148 10 30 ADEEMO C=CCCC[N@H+](CC)[C@H]1CCOC1=O 934649329 631149570 /nfs/dbraw/zinc/14/95/70/631149570.db2.gz RYMWORKDWZEZRD-JTQLQIEISA-N 1 1 197.278 1.590 10 30 ADEEMO C=CCCC[N@H+](CC)[C@@H]1CCOC1=O 934649330 631149607 /nfs/dbraw/zinc/14/96/07/631149607.db2.gz RYMWORKDWZEZRD-SNVBAGLBSA-N 1 1 197.278 1.590 10 30 ADEEMO C=CCCC[N@H+](CC)[C@H](C)C(N)=O 934644547 631149615 /nfs/dbraw/zinc/14/96/15/631149615.db2.gz CVVMRGJORBZDFK-SECBINFHSA-N 1 1 184.283 1.148 10 30 ADEEMO C=CCCC[N@H+](CC)[C@@H](C)C(=O)OC 934646822 631149661 /nfs/dbraw/zinc/14/96/61/631149661.db2.gz XCPDKDXSLIUIPF-JTQLQIEISA-N 1 1 199.294 1.836 10 30 ADEEMO C=CC[N@@H+]1C[C@@H]2CSC[C@]2(C)C1 934778983 631149695 /nfs/dbraw/zinc/14/96/95/631149695.db2.gz SPVOKGSUINSZPQ-ZJUUUORDSA-N 1 1 183.320 1.857 10 30 ADEEMO C[NH+](C)C[C@@H](C#N)C1CCOCC1 950757300 631156049 /nfs/dbraw/zinc/15/60/49/631156049.db2.gz QSAMZQBNRWCXFW-SNVBAGLBSA-N 1 1 182.267 1.114 10 30 ADEEMO C#CC[N@@H+]1CCc2sccc2C1 41636760 631153773 /nfs/dbraw/zinc/15/37/73/631153773.db2.gz CPAYCURHJULMEJ-UHFFFAOYSA-N 1 1 177.272 1.739 10 30 ADEEMO C#CC[N@H+]1CCc2sccc2C1 41636760 631153774 /nfs/dbraw/zinc/15/37/74/631153774.db2.gz CPAYCURHJULMEJ-UHFFFAOYSA-N 1 1 177.272 1.739 10 30 ADEEMO N#CCCNCc1cccc(F)c1O 159151379 631154156 /nfs/dbraw/zinc/15/41/56/631154156.db2.gz UKLFBWWPMIWEDR-UHFFFAOYSA-N 1 1 194.209 1.535 10 30 ADEEMO C#CC[N@H+](C)[C@@H](C)CC(C)C 47953407 631154229 /nfs/dbraw/zinc/15/42/29/631154229.db2.gz CJLIOVDXEDFYMR-JTQLQIEISA-N 1 1 153.269 1.986 10 30 ADEEMO C#CC[N@H+](C)[C@H](C)CC(C)C 47953405 631154646 /nfs/dbraw/zinc/15/46/46/631154646.db2.gz CJLIOVDXEDFYMR-SNVBAGLBSA-N 1 1 153.269 1.986 10 30 ADEEMO C=CC[N@@H+](C)CCCCCCO 78846695 631155723 /nfs/dbraw/zinc/15/57/23/631155723.db2.gz FCAWWDRXCLODHX-UHFFFAOYSA-N 1 1 171.284 1.657 10 30 ADEEMO C[NH+](C)C[C@H](C#N)C1CCOCC1 950757299 631156095 /nfs/dbraw/zinc/15/60/95/631156095.db2.gz QSAMZQBNRWCXFW-JTQLQIEISA-N 1 1 182.267 1.114 10 30 ADEEMO C#CC[N@H+]1C[C@@H](C)CC[C@H]1C 84051272 631158874 /nfs/dbraw/zinc/15/88/74/631158874.db2.gz JDQGVAGHIGEKMZ-VHSXEESVSA-N 1 1 151.253 1.740 10 30 ADEEMO C#CCCN1CC[N@H+]2CCCC[C@H]2C1 252692964 631166401 /nfs/dbraw/zinc/16/64/01/631166401.db2.gz FADOYJDTNMPBGC-LBPRGKRZSA-N 1 1 192.306 1.180 10 30 ADEEMO C#CCCC[N@H+]1C[C@@H](N(C)C)[C@H](C)C1 252728536 631166222 /nfs/dbraw/zinc/16/62/22/631166222.db2.gz BVGUCPBXCJDBAK-VXGBXAGGSA-N 1 1 194.322 1.282 10 30 ADEEMO C#CCC[N@@H+]1CCN2CCCC[C@H]2C1 252692964 631166403 /nfs/dbraw/zinc/16/64/03/631166403.db2.gz FADOYJDTNMPBGC-LBPRGKRZSA-N 1 1 192.306 1.180 10 30 ADEEMO C#CCC[N@H+]1CCN2CCCC[C@H]2C1 252692964 631166405 /nfs/dbraw/zinc/16/64/05/631166405.db2.gz FADOYJDTNMPBGC-LBPRGKRZSA-N 1 1 192.306 1.180 10 30 ADEEMO C#CCCC[N@H+]1[C@@H](C)C[C@H]1C 306211937 631168565 /nfs/dbraw/zinc/16/85/65/631168565.db2.gz QUXWBAKKHZLVER-AOOOYVTPSA-N 1 1 151.253 1.883 10 30 ADEEMO C#CCC[N@H+]1CCc2ncsc2C1 306210817 631169075 /nfs/dbraw/zinc/16/90/75/631169075.db2.gz GPFWRLGRHYYXOD-UHFFFAOYSA-N 1 1 192.287 1.525 10 30 ADEEMO N=C(Nc1ccccc1)SCC[NH3+] 5848583 1224163132 /nfs/dbraw/zinc/16/31/32/1224163132.db2.gz LWOBKELBUMRKET-UHFFFAOYSA-N 1 1 195.291 1.325 10 30 ADEEMO CC[C@@H](CC#N)N1CCC(C[NH3+])CC1 44514490 1224169253 /nfs/dbraw/zinc/16/92/53/1224169253.db2.gz NHNQVQQXLRNXEQ-NSHDSACASA-N 1 1 195.310 1.349 10 30 ADEEMO C#CC[N@H+]1C[C@@H](C)OC(C)(C)C1 44477789 1224169428 /nfs/dbraw/zinc/16/94/28/1224169428.db2.gz FVYPMQXTDFTZED-SECBINFHSA-N 1 1 167.252 1.119 10 30 ADEEMO C#CC[N@@H+]1C[C@@H](C)OC(C)(C)C1 44477789 1224169434 /nfs/dbraw/zinc/16/94/34/1224169434.db2.gz FVYPMQXTDFTZED-SECBINFHSA-N 1 1 167.252 1.119 10 30 ADEEMO CN(CCC#N)CC1CC[NH+](C)CC1 63120752 1224174530 /nfs/dbraw/zinc/17/45/30/1224174530.db2.gz ASXGAEYHHGKWNH-UHFFFAOYSA-N 1 1 195.310 1.174 10 30 ADEEMO C=C(C)C[NH2+]C1CCN(CC)CC1 160760872 1224192101 /nfs/dbraw/zinc/19/21/01/1224192101.db2.gz AUPGNQXSYJLBLJ-UHFFFAOYSA-N 1 1 182.311 1.636 10 30 ADEEMO C#CCCC[N@H+](C)C1CCOCC1 161135306 1224192884 /nfs/dbraw/zinc/19/28/84/1224192884.db2.gz DGGMHCRVFFVNFH-UHFFFAOYSA-N 1 1 181.279 1.511 10 30 ADEEMO C#CCCC[N@H+](C)C(C)C 161139724 1224192900 /nfs/dbraw/zinc/19/29/00/1224192900.db2.gz MMEXPGVACNXRLW-UHFFFAOYSA-N 1 1 139.242 1.740 10 30 ADEEMO C#CCCC[N@H+](C)CCC 161110220 1224192959 /nfs/dbraw/zinc/19/29/59/1224192959.db2.gz YINWHCNTDJPMKW-UHFFFAOYSA-N 1 1 139.242 1.742 10 30 ADEEMO C#CCCC[N@H+](C)CCSC 161140156 1224193047 /nfs/dbraw/zinc/19/30/47/1224193047.db2.gz PVLGERAFCYGWNF-UHFFFAOYSA-N 1 1 171.309 1.695 10 30 ADEEMO C#CCCCN1CC[NH+](CCC)CC1 161091049 1224193070 /nfs/dbraw/zinc/19/30/70/1224193070.db2.gz PEGRBJPNSADJDF-UHFFFAOYSA-N 1 1 194.322 1.427 10 30 ADEEMO C=C(C)CN(C)c1cc(N)[nH+]cn1 165114472 1224196914 /nfs/dbraw/zinc/19/69/14/1224196914.db2.gz GHKDKAFRRWGOMV-UHFFFAOYSA-N 1 1 178.239 1.071 10 30 ADEEMO N#CCC1C[NH+](CCC(F)(F)F)C1 213595164 1224217030 /nfs/dbraw/zinc/21/70/30/1224217030.db2.gz FVSIXENFTRBUHQ-UHFFFAOYSA-N 1 1 192.184 1.784 10 30 ADEEMO C=CCNC1CC[NH+](CC(C)C)CC1 219287350 1224219213 /nfs/dbraw/zinc/21/92/13/1224219213.db2.gz PIENTJNVLVSMJC-UHFFFAOYSA-N 1 1 196.338 1.882 10 30 ADEEMO C=CCC[C@@H](C)[NH2+]Cc1ncon1 231773205 1224232222 /nfs/dbraw/zinc/23/22/22/1224232222.db2.gz DWNUEJPKUDTFHI-MRVPVSSYSA-N 1 1 181.239 1.514 10 30 ADEEMO C=CCC[C@H](C)[NH2+]Cc1ncon1 231773208 1224232236 /nfs/dbraw/zinc/23/22/36/1224232236.db2.gz DWNUEJPKUDTFHI-QMMMGPOBSA-N 1 1 181.239 1.514 10 30 ADEEMO CC1CC(=NN2CC[NH+](C)CC2)C1 306181073 1224246131 /nfs/dbraw/zinc/24/61/31/1224246131.db2.gz CBIZDZMGVWAOJZ-UHFFFAOYSA-N 1 1 181.283 1.020 10 30 ADEEMO C#CC[N@H+](C)[C@H]1CC[C@H](C)C1 306278392 1224250247 /nfs/dbraw/zinc/25/02/47/1224250247.db2.gz GPHUUORRRQCWPV-UWVGGRQHSA-N 1 1 151.253 1.740 10 30 ADEEMO C#CC[N@H+](C)[C@H]1CC[C@@H](C)C1 306278394 1224251005 /nfs/dbraw/zinc/25/10/05/1224251005.db2.gz GPHUUORRRQCWPV-ZJUUUORDSA-N 1 1 151.253 1.740 10 30 ADEEMO C#CC[N@H+](C)[C@@H]1CC[C@H](C)C1 306278393 1224251274 /nfs/dbraw/zinc/25/12/74/1224251274.db2.gz GPHUUORRRQCWPV-VHSXEESVSA-N 1 1 151.253 1.740 10 30 ADEEMO C#CCN(C)c1cc(C)[nH+]c(C)n1 307145420 1224278427 /nfs/dbraw/zinc/27/84/27/1224278427.db2.gz GMHOUPBBXCXNJB-UHFFFAOYSA-N 1 1 175.235 1.163 10 30 ADEEMO CC[C@H](CC#N)[N@H+]1C[C@H](O)CC[C@H]1C 307349617 1224283072 /nfs/dbraw/zinc/28/30/72/1224283072.db2.gz SMBYXMCRDCPADP-GMTAPVOTSA-N 1 1 196.294 1.524 10 30 ADEEMO CC[C@H](CC#N)[N@H+]1C[C@@H](O)CC[C@H]1C 307349619 1224283296 /nfs/dbraw/zinc/28/32/96/1224283296.db2.gz SMBYXMCRDCPADP-MXWKQRLJSA-N 1 1 196.294 1.524 10 30 ADEEMO CO[NH+]=C(N)Cc1ccccc1C 307465722 1224284367 /nfs/dbraw/zinc/28/43/67/1224284367.db2.gz AFLQIDVDBSJJLF-UHFFFAOYSA-N 1 1 178.235 1.456 10 30 ADEEMO Cn1c[nH+]cc1CCCCC#N 314380668 1224301329 /nfs/dbraw/zinc/30/13/29/1224301329.db2.gz QRYRXBPOKLXFRK-UHFFFAOYSA-N 1 1 163.224 1.656 10 30 ADEEMO CSCC[N@@H+](C)[C@H]1CC[C@H](C#N)C1 379375684 1224309211 /nfs/dbraw/zinc/30/92/11/1224309211.db2.gz QGICCOUIVXLONH-UWVGGRQHSA-N 1 1 198.335 1.973 10 30 ADEEMO CSCC[N@@H+](C)[C@@H]1CC[C@@H](C#N)C1 379375683 1224309454 /nfs/dbraw/zinc/30/94/54/1224309454.db2.gz QGICCOUIVXLONH-NXEZZACHSA-N 1 1 198.335 1.973 10 30 ADEEMO CSCC[N@@H+](C)[C@@H]1CC[C@H](C#N)C1 379375685 1224309944 /nfs/dbraw/zinc/30/99/44/1224309944.db2.gz QGICCOUIVXLONH-VHSXEESVSA-N 1 1 198.335 1.973 10 30 ADEEMO CSCC[N@@H+](C)[C@H]1CC[C@@H](C#N)C1 379375686 1224310186 /nfs/dbraw/zinc/31/01/86/1224310186.db2.gz QGICCOUIVXLONH-ZJUUUORDSA-N 1 1 198.335 1.973 10 30 ADEEMO CCC1(C[N@H+](C)CCC#N)COC1 379418141 1224315142 /nfs/dbraw/zinc/31/51/42/1224315142.db2.gz VQSFAVVDXQMMDL-UHFFFAOYSA-N 1 1 182.267 1.258 10 30 ADEEMO CCC1(C[N@@H+](C)CCC#N)COC1 379418141 1224315150 /nfs/dbraw/zinc/31/51/50/1224315150.db2.gz VQSFAVVDXQMMDL-UHFFFAOYSA-N 1 1 182.267 1.258 10 30 ADEEMO C=CCCC[N@@H+]1CC[C@H](O)C[C@@H]1C 382096839 1224320884 /nfs/dbraw/zinc/32/08/84/1224320884.db2.gz FBFQPBFBTKZVTJ-QWRGUYRKSA-N 1 1 183.295 1.798 10 30 ADEEMO CC[C@H](CC#N)[NH2+][C@H]1CCN(CC)C1 393223921 1224333240 /nfs/dbraw/zinc/33/32/40/1224333240.db2.gz GWGVWCRJDIDIKM-MNOVXSKESA-N 1 1 195.310 1.362 10 30 ADEEMO C=CCN(CC=C)[C@@H]1CC[N@H+](C)C1 388897666 1224328576 /nfs/dbraw/zinc/32/85/76/1224328576.db2.gz MSNLWKKVMHEIEY-LLVKDONJSA-N 1 1 180.295 1.365 10 30 ADEEMO C=CC[NH+](CC=C)[C@@H]1CCN(C)C1 388897666 1224328586 /nfs/dbraw/zinc/32/85/86/1224328586.db2.gz MSNLWKKVMHEIEY-LLVKDONJSA-N 1 1 180.295 1.365 10 30 ADEEMO C=CCN(CC=C)[C@H]1CC[N@H+](C)C1 388897667 1224329248 /nfs/dbraw/zinc/32/92/48/1224329248.db2.gz MSNLWKKVMHEIEY-NSHDSACASA-N 1 1 180.295 1.365 10 30 ADEEMO C=CC[NH+](CC=C)[C@H]1CCN(C)C1 388897667 1224329257 /nfs/dbraw/zinc/32/92/57/1224329257.db2.gz MSNLWKKVMHEIEY-NSHDSACASA-N 1 1 180.295 1.365 10 30 ADEEMO C=CC[N@H+](C)Cc1ccc(O)cn1 388852424 1224329446 /nfs/dbraw/zinc/32/94/46/1224329446.db2.gz BNQDXZWFCXQEEL-UHFFFAOYSA-N 1 1 178.235 1.405 10 30 ADEEMO C=CC[N@H+](C)CC1(C)CCOCC1 388881421 1224329531 /nfs/dbraw/zinc/32/95/31/1224329531.db2.gz IVBZMZZIHWEMHN-UHFFFAOYSA-N 1 1 183.295 1.921 10 30 ADEEMO CC[C@@H](CC#N)N[C@@H]1CC[N@@H+](CC)C1 393223924 1224332821 /nfs/dbraw/zinc/33/28/21/1224332821.db2.gz GWGVWCRJDIDIKM-WDEREUQCSA-N 1 1 195.310 1.362 10 30 ADEEMO CC[C@@H](CC#N)[NH2+][C@@H]1CCN(CC)C1 393223924 1224332826 /nfs/dbraw/zinc/33/28/26/1224332826.db2.gz GWGVWCRJDIDIKM-WDEREUQCSA-N 1 1 195.310 1.362 10 30 ADEEMO CC[C@H](CC#N)N[C@@H]1CC[N@@H+](CC)C1 393223919 1224333171 /nfs/dbraw/zinc/33/31/71/1224333171.db2.gz GWGVWCRJDIDIKM-GHMZBOCLSA-N 1 1 195.310 1.362 10 30 ADEEMO CC[C@H](CC#N)[NH2+][C@@H]1CCN(CC)C1 393223919 1224333180 /nfs/dbraw/zinc/33/31/80/1224333180.db2.gz GWGVWCRJDIDIKM-GHMZBOCLSA-N 1 1 195.310 1.362 10 30 ADEEMO CC[C@H](CC#N)N[C@H]1CC[N@@H+](CC)C1 393223921 1224333232 /nfs/dbraw/zinc/33/32/32/1224333232.db2.gz GWGVWCRJDIDIKM-MNOVXSKESA-N 1 1 195.310 1.362 10 30 ADEEMO CC[C@@H](CC#N)N[C@H]1CC[N@@H+](CC)C1 393223922 1224333629 /nfs/dbraw/zinc/33/36/29/1224333629.db2.gz GWGVWCRJDIDIKM-QWRGUYRKSA-N 1 1 195.310 1.362 10 30 ADEEMO CC[C@@H](CC#N)[NH2+][C@H]1CCN(CC)C1 393223922 1224333639 /nfs/dbraw/zinc/33/36/39/1224333639.db2.gz GWGVWCRJDIDIKM-QWRGUYRKSA-N 1 1 195.310 1.362 10 30 ADEEMO C#CCCCCC[N@@H+]1CCC[C@@H]1CO 686677690 1224349574 /nfs/dbraw/zinc/34/95/74/1224349574.db2.gz MQOAUBOXXZOIGB-GFCCVEGCSA-N 1 1 195.306 1.637 10 30 ADEEMO C#CCCCCC[N@@H+]1CCC[C@H]1CO 686677694 1224349638 /nfs/dbraw/zinc/34/96/38/1224349638.db2.gz MQOAUBOXXZOIGB-LBPRGKRZSA-N 1 1 195.306 1.637 10 30 ADEEMO C#CCCCCC[N@@H+]1C[C@H](O)C[C@H]1C 686684530 1224349884 /nfs/dbraw/zinc/34/98/84/1224349884.db2.gz VFEFUCGIMRBQBV-VXGBXAGGSA-N 1 1 195.306 1.635 10 30 ADEEMO C#CCCCCC[N@@H+]1C[C@@H](O)C[C@@H]1C 686684529 1224349918 /nfs/dbraw/zinc/34/99/18/1224349918.db2.gz VFEFUCGIMRBQBV-RYUDHWBXSA-N 1 1 195.306 1.635 10 30 ADEEMO C#C[C@@H](C)N(C)c1cc(C)[nH+]c(C)n1 767439472 1224352623 /nfs/dbraw/zinc/35/26/23/1224352623.db2.gz HMFSFQPFOIIZMI-SECBINFHSA-N 1 1 189.262 1.551 10 30 ADEEMO C#C[C@H](C)N(C)c1cc(C)[nH+]c(C)n1 767439474 1224352782 /nfs/dbraw/zinc/35/27/82/1224352782.db2.gz HMFSFQPFOIIZMI-VIFPVBQESA-N 1 1 189.262 1.551 10 30 ADEEMO C#CC[N@@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 779207143 1224353214 /nfs/dbraw/zinc/35/32/14/1224353214.db2.gz WVPUKHKQFOJHLD-WDEREUQCSA-N 1 1 195.306 1.349 10 30 ADEEMO C#CC[N@H+]1CCc2cc(C)ccc2C1 792311290 1224354175 /nfs/dbraw/zinc/35/41/75/1224354175.db2.gz GAQJFPITQCRXTF-UHFFFAOYSA-N 1 1 185.270 1.986 10 30 ADEEMO C=CC[N@H+](CCOC)C1CCOCC1 792405719 1224354205 /nfs/dbraw/zinc/35/42/05/1224354205.db2.gz DHNZJLGGUFBGGA-UHFFFAOYSA-N 1 1 199.294 1.300 10 30 ADEEMO C#CC[N@H+](CCOC)[C@H]1CC[C@H](C)C1 792462745 1224354270 /nfs/dbraw/zinc/35/42/70/1224354270.db2.gz GMOFYTZZZYEIRZ-RYUDHWBXSA-N 1 1 195.306 1.757 10 30 ADEEMO C#CC[N@H+](CCOC)[C@@H]1CC[C@@H](C)C1 792462746 1224354407 /nfs/dbraw/zinc/35/44/07/1224354407.db2.gz GMOFYTZZZYEIRZ-VXGBXAGGSA-N 1 1 195.306 1.757 10 30 ADEEMO C#CC[N@H+](CCOC)[C@@H]1CC[C@H](C)C1 792462744 1224354544 /nfs/dbraw/zinc/35/45/44/1224354544.db2.gz GMOFYTZZZYEIRZ-NWDGAFQWSA-N 1 1 195.306 1.757 10 30 ADEEMO C#CC[C@H]1CC[N@H+]([C@@H](CO)C(=C)C)C1 886362712 1224363084 /nfs/dbraw/zinc/36/30/84/1224363084.db2.gz JXTVHJKYKVFLFI-RYUDHWBXSA-N 1 1 193.290 1.269 10 30 ADEEMO C#CC[N@H+](CCOC)[C@H]1CC[C@@H](C)C1 792462743 1224354707 /nfs/dbraw/zinc/35/47/07/1224354707.db2.gz GMOFYTZZZYEIRZ-NEPJUHHUSA-N 1 1 195.306 1.757 10 30 ADEEMO C#C[C@@H]1CCC[N@H+](C[C@H](C)OC)C1 847019560 1224359803 /nfs/dbraw/zinc/35/98/03/1224359803.db2.gz RJFDVGLMZRXUDR-WDEREUQCSA-N 1 1 181.279 1.367 10 30 ADEEMO C#C[C@H]1CCC[N@H+](C[C@H](C)OC)C1 847019559 1224359822 /nfs/dbraw/zinc/35/98/22/1224359822.db2.gz RJFDVGLMZRXUDR-QWRGUYRKSA-N 1 1 181.279 1.367 10 30 ADEEMO C=CCON=C1C[N@@H+]2CCC[C@H]1C2 863117846 1224360992 /nfs/dbraw/zinc/36/09/92/1224360992.db2.gz FLUBBZQHDSAZHS-VIFPVBQESA-N 1 1 180.251 1.271 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@H]2COC[C@@H]2C1 878990707 1224361793 /nfs/dbraw/zinc/36/17/93/1224361793.db2.gz OHIWSGQVQLLANE-SRVKXCTJSA-N 1 1 195.306 1.919 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@H]2COC[C@H]2C1 878990706 1224361847 /nfs/dbraw/zinc/36/18/47/1224361847.db2.gz OHIWSGQVQLLANE-SDDRHHMPSA-N 1 1 195.306 1.919 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@@H]2COC[C@@H]2C1 878990708 1224361891 /nfs/dbraw/zinc/36/18/91/1224361891.db2.gz OHIWSGQVQLLANE-TUAOUCFPSA-N 1 1 195.306 1.919 10 30 ADEEMO C=CC[C@H](C)[N@H+]1CC[C@@H]2COC[C@H]2C1 878990705 1224361906 /nfs/dbraw/zinc/36/19/06/1224361906.db2.gz OHIWSGQVQLLANE-QJPTWQEYSA-N 1 1 195.306 1.919 10 30 ADEEMO C#CC[C@@H]1CC[N@H+]([C@@H](CO)C(=C)C)C1 886362710 1224362825 /nfs/dbraw/zinc/36/28/25/1224362825.db2.gz JXTVHJKYKVFLFI-NEPJUHHUSA-N 1 1 193.290 1.269 10 30 ADEEMO C#CCCC[N@H+]1CC[C@@H](CC#C)C1 886362844 1224362851 /nfs/dbraw/zinc/36/28/51/1224362851.db2.gz PURRDLSYSAIOCD-GFCCVEGCSA-N 1 1 175.275 1.745 10 30 ADEEMO C#CC[C@H]1CC[N@H+](CCF)C1 886362646 1224362897 /nfs/dbraw/zinc/36/28/97/1224362897.db2.gz ICWYRAPPCHFZBW-VIFPVBQESA-N 1 1 155.216 1.301 10 30 ADEEMO C#CC[C@@H]1CC[N@H+]([C@H](CO)C(=C)C)C1 886362713 1224362932 /nfs/dbraw/zinc/36/29/32/1224362932.db2.gz JXTVHJKYKVFLFI-VXGBXAGGSA-N 1 1 193.290 1.269 10 30 ADEEMO C#CC[C@@H]1CC[N@H+](CCF)C1 886362645 1224362978 /nfs/dbraw/zinc/36/29/78/1224362978.db2.gz ICWYRAPPCHFZBW-SECBINFHSA-N 1 1 155.216 1.301 10 30 ADEEMO C#CC[C@H]1CC[N@H+]([C@H](CO)C(=C)C)C1 886362711 1224363030 /nfs/dbraw/zinc/36/30/30/1224363030.db2.gz JXTVHJKYKVFLFI-NWDGAFQWSA-N 1 1 193.290 1.269 10 30 ADEEMO C[N@H+]1CCC[C@H](OCCCC#N)C1 1205631128 1224392455 /nfs/dbraw/zinc/39/24/55/1224392455.db2.gz GLDBHYNANQSRJY-JTQLQIEISA-N 1 1 182.267 1.401 10 30 ADEEMO C[N@H+]1CCC[C@@H](OCCCC#N)C1 1205631129 1224392867 /nfs/dbraw/zinc/39/28/67/1224392867.db2.gz GLDBHYNANQSRJY-SNVBAGLBSA-N 1 1 182.267 1.401 10 30 ADEEMO C[N@H+]1CC[C@H](OCCCCC#N)C1 1205656430 1224393458 /nfs/dbraw/zinc/39/34/58/1224393458.db2.gz VNEOCBCRPANSAX-JTQLQIEISA-N 1 1 182.267 1.401 10 30 ADEEMO C[N@H+]1CC[C@@H](OCCCCC#N)C1 1205656431 1224393665 /nfs/dbraw/zinc/39/36/65/1224393665.db2.gz VNEOCBCRPANSAX-SNVBAGLBSA-N 1 1 182.267 1.401 10 30 ADEEMO C[N@H+]1CC[C@@H](OCC2(C#N)CC2)C1 1224953422 1224404775 /nfs/dbraw/zinc/40/47/75/1224404775.db2.gz XAEYZWJFQIAWAS-SECBINFHSA-N 1 1 180.251 1.011 10 30 ADEEMO C[N@H+]1CC[C@H](OCC2(C#N)CC2)C1 1224953427 1224405663 /nfs/dbraw/zinc/40/56/63/1224405663.db2.gz XAEYZWJFQIAWAS-VIFPVBQESA-N 1 1 180.251 1.011 10 30 ADEEMO CCC#C[C@H](C)[N@H+]1CCCO[C@@H](C)C1 1307452988 1224431601 /nfs/dbraw/zinc/43/16/01/1224431601.db2.gz LIMYOLQNMMCXIY-RYUDHWBXSA-N 1 1 195.306 1.899 10 30 ADEEMO CCC#C[C@@H](C)[N@H+]1CCCO[C@@H](C)C1 1307452986 1224431627 /nfs/dbraw/zinc/43/16/27/1224431627.db2.gz LIMYOLQNMMCXIY-NEPJUHHUSA-N 1 1 195.306 1.899 10 30 ADEEMO CCC#C[C@@H](C)[N@H+]1CCCO[C@H](C)C1 1307452989 1224431798 /nfs/dbraw/zinc/43/17/98/1224431798.db2.gz LIMYOLQNMMCXIY-VXGBXAGGSA-N 1 1 195.306 1.899 10 30 ADEEMO CCC#C[C@H](C)[N@@H+](C)CCOC 1307436022 1224432068 /nfs/dbraw/zinc/43/20/68/1224432068.db2.gz VRERYDXIQKTMTP-JTQLQIEISA-N 1 1 169.268 1.367 10 30 ADEEMO CCC#C[C@@H](C)[N@@H+](C)CCOC 1307436028 1224432089 /nfs/dbraw/zinc/43/20/89/1224432089.db2.gz VRERYDXIQKTMTP-SNVBAGLBSA-N 1 1 169.268 1.367 10 30 ADEEMO CCC#C[C@H](C)[N@H+]1CCCO[C@H](C)C1 1307452987 1224432118 /nfs/dbraw/zinc/43/21/18/1224432118.db2.gz LIMYOLQNMMCXIY-NWDGAFQWSA-N 1 1 195.306 1.899 10 30 ADEEMO C=CCO[C@H]1CC[N@H+](CC[C@@H](C)O)C1 1326501363 1224433197 /nfs/dbraw/zinc/43/31/97/1224433197.db2.gz FPEQXESABBDFSC-MNOVXSKESA-N 1 1 199.294 1.034 10 30 ADEEMO C=CCO[C@@H]1CC[N@H+](CC[C@@H](C)O)C1 1326501360 1224433578 /nfs/dbraw/zinc/43/35/78/1224433578.db2.gz FPEQXESABBDFSC-GHMZBOCLSA-N 1 1 199.294 1.034 10 30 ADEEMO C=CCO[C@@H]1CC[N@H+](CC[C@H](C)O)C1 1326501368 1224433746 /nfs/dbraw/zinc/43/37/46/1224433746.db2.gz FPEQXESABBDFSC-WDEREUQCSA-N 1 1 199.294 1.034 10 30 ADEEMO C=CCO[C@H]1CC[N@H+](CC[C@H](C)O)C1 1326501365 1224433995 /nfs/dbraw/zinc/43/39/95/1224433995.db2.gz FPEQXESABBDFSC-QWRGUYRKSA-N 1 1 199.294 1.034 10 30 ADEEMO C=C[C@@H](COC)[NH2+]Cc1ccns1 1333372736 1224456034 /nfs/dbraw/zinc/45/60/34/1224456034.db2.gz YJSHSHZYEVIZDZ-QMMMGPOBSA-N 1 1 198.291 1.434 10 30 ADEEMO C=C[C@H](COC)[NH2+]Cc1ccns1 1333372725 1224456059 /nfs/dbraw/zinc/45/60/59/1224456059.db2.gz YJSHSHZYEVIZDZ-MRVPVSSYSA-N 1 1 198.291 1.434 10 30 ADEEMO C=CC[C@@H](C)[N@H+]1C[C@@H]2CCN(C)[C@@H]2C1 1333414247 1224456883 /nfs/dbraw/zinc/45/68/83/1224456883.db2.gz QFTUBHNFNWYJFJ-GRYCIOLGSA-N 1 1 194.322 1.587 10 30 ADEEMO C=CC[C@H](C)[N@H+]1C[C@@H]2CCN(C)[C@@H]2C1 1333414248 1224457530 /nfs/dbraw/zinc/45/75/30/1224457530.db2.gz QFTUBHNFNWYJFJ-SDDRHHMPSA-N 1 1 194.322 1.587 10 30 ADEEMO C=C(CC)C(=O)N[C@H]1CCC[N@@H+](C)C1 1351164745 1224470494 /nfs/dbraw/zinc/47/04/94/1224470494.db2.gz KKRGRCXIXLDRQT-JTQLQIEISA-N 1 1 196.294 1.163 10 30 ADEEMO C=C(CC)C(=O)N[C@@H]1CCC[N@@H+](C)C1 1351164762 1224470917 /nfs/dbraw/zinc/47/09/17/1224470917.db2.gz KKRGRCXIXLDRQT-SNVBAGLBSA-N 1 1 196.294 1.163 10 30 ADEEMO CC#CC[N@@H+](C)CC1CC1 1559488826 1224487442 /nfs/dbraw/zinc/48/74/42/1224487442.db2.gz UZMPFHBAEALOIW-UHFFFAOYSA-N 1 1 137.226 1.352 10 30 ADEEMO C=CC[N@H+](C)CCN(C(C)=O)C(C)C 1571608171 1224490067 /nfs/dbraw/zinc/49/00/67/1224490067.db2.gz AKRSYGONATXBPF-UHFFFAOYSA-N 1 1 198.310 1.361 10 30 ADEEMO C=CC[N@H+](C)C[C@H]1CCCN1C(C)=O 1570521678 1224490215 /nfs/dbraw/zinc/49/02/15/1224490215.db2.gz BEROSMHLICTCSX-LLVKDONJSA-N 1 1 196.294 1.115 10 30 ADEEMO C=CCCC[N@H+](C)[C@@H](C)CNC(C)=O 1570694028 1224490398 /nfs/dbraw/zinc/49/03/98/1224490398.db2.gz WAQAVXXKAOQIBI-JTQLQIEISA-N 1 1 198.310 1.409 10 30 ADEEMO C=CC[N@H+](C)C[C@@H]1CCCN1C(C)=O 1570521679 1224490622 /nfs/dbraw/zinc/49/06/22/1224490622.db2.gz BEROSMHLICTCSX-NSHDSACASA-N 1 1 196.294 1.115 10 30 ADEEMO C=CCCC[N@H+](C)[C@H](C)CNC(C)=O 1570694029 1224490866 /nfs/dbraw/zinc/49/08/66/1224490866.db2.gz WAQAVXXKAOQIBI-SNVBAGLBSA-N 1 1 198.310 1.409 10 30 ADEEMO C=CCC[N@H+](C)C[C@@H](O)C1CC1 388488385 538432926 /nfs/dbraw/zinc/43/29/26/538432926.db2.gz DYUYGWMZVMCKLF-SNVBAGLBSA-N 1 1 169.268 1.265 10 30 ADEEMO C#CC[N@@H+](CC1=NOCC1)C(C)(C)C 1644575095 1224512938 /nfs/dbraw/zinc/51/29/38/1224512938.db2.gz UTEQZJOGLRTNTB-UHFFFAOYSA-N 1 1 194.278 1.496 10 30 ADEEMO C=C(CC)C[N@H+]1C[C@H]2CC[C@@H](O)[C@H]2C1 1644489871 1224513191 /nfs/dbraw/zinc/51/31/91/1224513191.db2.gz VDWLLGVGKBVNMQ-GRYCIOLGSA-N 1 1 195.306 1.655 10 30 ADEEMO C#CC[C@@H]1CC[N@H+](CC)C1 1655562342 1224515187 /nfs/dbraw/zinc/51/51/87/1224515187.db2.gz CDSLWUQMVDNCIV-SECBINFHSA-N 1 1 137.226 1.352 10 30 ADEEMO C#CC[C@H]1CC[N@@H+](CC2=NOCC2)C1 1655562915 1224514498 /nfs/dbraw/zinc/51/44/98/1224514498.db2.gz RMEFFJGZQKESNB-JTQLQIEISA-N 1 1 192.262 1.108 10 30 ADEEMO C#CC[C@H]1CC[N@H+](CC)C1 1655562343 1224514543 /nfs/dbraw/zinc/51/45/43/1224514543.db2.gz CDSLWUQMVDNCIV-VIFPVBQESA-N 1 1 137.226 1.352 10 30 ADEEMO C#CC[C@@H]1CC[N@H+]([C@H](C)[C@@H](C)O)C1 1655562268 1224514671 /nfs/dbraw/zinc/51/46/71/1224514671.db2.gz AVTLXZQCUOONNF-GMTAPVOTSA-N 1 1 181.279 1.101 10 30 ADEEMO C#CC[C@@H]1CC[N@@H+](CC2=NOCC2)C1 1655562916 1224514730 /nfs/dbraw/zinc/51/47/30/1224514730.db2.gz RMEFFJGZQKESNB-SNVBAGLBSA-N 1 1 192.262 1.108 10 30 ADEEMO C#CC[C@@H]1CC[N@H+]([C@@H](C)[C@@H](C)O)C1 1655562269 1224514994 /nfs/dbraw/zinc/51/49/94/1224514994.db2.gz AVTLXZQCUOONNF-HBNTYKKESA-N 1 1 181.279 1.101 10 30 ADEEMO C#CC[C@@H]1CC[N@H+]([C@H](C)[C@H](C)O)C1 1655562270 1224515098 /nfs/dbraw/zinc/51/50/98/1224515098.db2.gz AVTLXZQCUOONNF-OUAUKWLOSA-N 1 1 181.279 1.101 10 30 ADEEMO C#CC[C@@H]1CC[N@H+]([C@@H](C)[C@H](C)O)C1 1655562267 1224515375 /nfs/dbraw/zinc/51/53/75/1224515375.db2.gz AVTLXZQCUOONNF-GARJFASQSA-N 1 1 181.279 1.101 10 30 ADEEMO C#CC1(O)C[NH+](CC2CC(C)(C)C2)C1 1655808394 1224515723 /nfs/dbraw/zinc/51/57/23/1224515723.db2.gz NOVGWQBYVWXPGK-UHFFFAOYSA-N 1 1 193.290 1.103 10 30 ADEEMO